 
data_SrAl2Si2O8
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'H0.01 Al2 O8 Si2 Sr0.99'
_chemical_formula_weight          324.68
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Al'  'Al'   0.0645   0.0514
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si'  'Si'   0.0817   0.0704
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sr'  'Sr'  -1.5307   3.2498
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_symmetry_cell_setting            ?
_symmetry_space_group_name_H-M    ?
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z+1/2'
 '-x+1/2, y+1/2, -z+1'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z+1/2'
 'x+1/2, -y+1/2, z'
 
_cell_length_a                    8.3946(6)
_cell_length_b                    12.9734(8)
_cell_length_c                    14.2528(9)
_cell_angle_alpha                 90.00
_cell_angle_beta                  115.459(6)
_cell_angle_gamma                 90.00
_cell_volume                      1401.49(16)
_cell_formula_units_Z             8
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?
 
_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     3.078
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1244
_exptl_absorpt_coefficient_mu     8.204
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   ?
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             2613
_diffrn_reflns_av_R_equivalents   0.0000
_diffrn_reflns_av_sigmaI/netI     0.0410
_diffrn_reflns_limit_h_min        -12
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        0
_diffrn_reflns_limit_k_max        19
_diffrn_reflns_limit_l_min        0
_diffrn_reflns_limit_l_max        21
_diffrn_reflns_theta_min          3.14
_diffrn_reflns_theta_max          33.91
_reflns_number_total              2613
_reflns_number_gt                 1572
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
 
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
 'calc w=1/[σ²(Fo²)+(0.0156P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     mixed
_refine_ls_extinction_method      SHELXL
_refine_ls_extinction_coef        0.00010(6)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_number_reflns          2613
_refine_ls_number_parameters      119
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0639
_refine_ls_R_factor_gt            0.0214
_refine_ls_wR_factor_ref          0.0444
_refine_ls_wR_factor_gt           0.0361
_refine_ls_goodness_of_fit_ref    0.836
_refine_ls_restrained_S_all       0.836
_refine_ls_shift/su_max           0.000
_refine_ls_shift/su_mean          0.000
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
SrOO Sr 0.26941(2) -0.00218(3) 0.065774(15) 0.01501(6) Uani 0.96 1 d P . .
T1O Si 0.00694(10) 0.17443(6) 0.10838(6) 0.00833(15) Uani 0.96 1 d P . .
T1Z Al 0.00317(11) 0.17766(6) 0.61649(6) 0.00789(17) Uani 0.95 1 d P . .
T2O Al 0.69390(11) 0.12043(6) 0.17023(7) 0.00790(16) Uani 0.96 1 d P . .
T2Z Si 0.68519(10) 0.11323(6) 0.67141(6) 0.00777(14) Uani 0.96 1 d P . .
OA1 O 0.0043(3) 0.12883(10) 0.00032(18) 0.0132(2) Uani 1 1 d . . .
OA2 O 0.59158(16) -0.00011(16) 0.14225(10) 0.0140(3) Uani 1 1 d . . .
OBO O 0.8281(3) 0.12658(15) 0.10606(15) 0.0164(4) Uani 1 1 d . . .
OBZ O 0.8089(3) 0.12690(15) 0.61151(16) 0.0174(4) Uani 1 1 d . . .
OCO O 0.0128(3) 0.29750(14) 0.11769(15) 0.0161(4) Uani 1 1 d . . .
OCZ O 0.0186(3) 0.30963(14) 0.63036(16) 0.0152(4) Uani 1 1 d . . .
ODO O 0.1862(3) 0.12510(15) 0.19574(15) 0.0178(4) Uani 1 1 d . . .
ODZ O 0.1977(3) 0.11851(15) 0.70383(15) 0.0161(4) Uani 1 1 d . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
SrOO OA2 2.4431(13) . ?
SrOO OA1 2.632(2) . ?
SrOO OA1 2.647(2) 5 ?
SrOO ODZ 2.7442(19) 6 ?
SrOO OBO 2.7476(19) 5_655 ?
SrOO ODO 2.7855(19) . ?
SrOO OBZ 2.862(2) 2_655 ?
SrOO OCZ 3.0867(19) 3_544 ?
SrOO OCO 3.2364(19) 8 ?
SrOO T1O 3.4038(8) 5 ?
SrOO T1O 3.4094(8) . ?
SrOO T2Z 3.4650(8) 6 ?
T1O OCO 1.601(2) . ?
T1O OBO 1.612(2) 1_455 ?
T1O ODO 1.617(2) . ?
T1O OA1 1.641(2) . ?
T1O SrOO 3.4038(8) 5 ?
T1O OA1 4.2145(16) 5 ?
T1O OA1 4.594(2) 8_455 ?
T1O OA1 5.644(2) 8 ?
T1O OA1 5.649(2) 2 ?
T1O OA1 5.897(2) 7 ?
T1Z OCZ 1.722(2) . ?
T1Z OBZ 1.732(2) 1_455 ?
T1Z ODZ 1.749(2) . ?
T1Z OA1 1.757(2) 2 ?
T1Z SrOO 3.4769(9) 6_556 ?
T1Z SrOO 3.5096(9) 2 ?
T1Z OA1 4.3087(17) 6_556 ?
T1Z OA1 4.596(2) 7_455 ?
T1Z OA1 5.503(2) 1_556 ?
T1Z OA1 5.664(2) 7 ?
T1Z OA1 5.843(3) 8_556 ?
T2O OBO 1.7313(19) . ?
T2O ODO 1.736(2) 2_655 ?
T2O OCO 1.740(2) 8 ?
T2O OA2 1.746(2) . ?
T2O SrOO 3.8280(8) 5_655 ?
T2O OA1 3.958(2) 8 ?
T2O OA1 4.254(2) 1_655 ?
T2O OA1 4.272(3) 2_655 ?
T2O OA1 5.228(3) . ?
T2O OA1 5.2989(19) 5_655 ?
T2O OA1 5.370(2) 6_656 ?
T2Z OCZ 1.611(2) 8 ?
T2Z OBZ 1.6129(19) . ?
T2Z ODZ 1.622(2) 2_656 ?
T2Z OA2 1.632(2) 6_556 ?
T2Z SrOO 3.4651(8) 6_556 ?
T2Z OA1 4.046(2) 7 ?
T2Z OA1 4.279(2) 2_655 ?
T2Z OA1 4.289(3) 1_656 ?
T2Z OA1 5.230(3) 2 ?
T2Z OA1 5.297(2) 5_656 ?
T2Z OA1 5.3479(19) 6_656 ?
T2Z OA1 6.041(2) 6_556 ?
OA1 T1Z 1.757(2) 2 ?
OA1 OBO 2.525(3) 1_455 ?
OA1 ODO 2.537(3) . ?
OA1 SrOO 2.647(2) 5 ?
OA1 ODZ 2.668(3) 2 ?
OA1 OBZ 2.674(3) 2_655 ?
OA1 OCO 2.737(2) . ?
OA1 OCZ 2.950(2) 2 ?
OA1 OA1 3.343(3) 5 ?
OA1 T2O 3.958(2) 8_455 ?
OA1 OCO 3.974(3) 8 ?
OA1 OBZ 3.987(3) 7 ?
OA1 OBO 4.026(3) 8_455 ?
OA1 OCZ 4.043(3) 7_455 ?
OA1 T2Z 4.046(2) 7 ?
OA1 OBO 4.134(2) 5_655 ?
OA1 ODZ 4.159(3) 6 ?
OA1 ODO 4.169(3) 5 ?
OA1 T1O 4.2145(16) 5 ?
OA1 T2O 4.254(2) 1_455 ?
OA1 T2O 4.272(3) 2_655 ?
OA1 T2Z 4.279(2) 2_655 ?
OA1 T2Z 4.289(3) 1_454 ?
OA1 OBZ 4.295(3) 6_455 ?
OA1 T1Z 4.3087(17) 6 ?
OA1 T1O 4.594(2) 8 ?
OA1 T1Z 4.596(2) 7_455 ?
OA1 OA2 4.756(3) . ?
OA1 OA2 4.817(3) 5 ?
OA1 OA2 4.935(2) 5_655 ?
OA1 OA2 4.992(2) 1_455 ?
OA1 OA2 5.040(3) 2_655 ?
OA1 OBZ 5.058(3) 1_454 ?
OA1 OA2 5.063(3) 6_455 ?
OA2 T2Z 1.632(2) 6 ?
OA2 OA1 4.817(3) 5 ?
OA2 OA1 4.935(2) 5_655 ?
OA2 OA1 4.992(2) 1_655 ?
OA2 OA1 5.040(3) 2_655 ?
OA2 OA1 5.063(3) 6_656 ?
OA2 OA1 5.152(3) 4_544 ?
OA2 OA1 5.153(3) 8 ?
OBO T1O 1.612(2) 1_655 ?
OBO OA1 2.525(3) 1_655 ?
OBO SrOO 2.7476(19) 5_655 ?
OBO OA1 4.026(3) 8 ?
OBO OA1 4.134(2) 5_655 ?
OBO OA1 5.164(3) 2_655 ?
OBZ T1Z 1.732(2) 1_655 ?
OBZ OA1 2.674(3) 2_655 ?
OBZ SrOO 2.862(2) 2_655 ?
OBZ OA1 3.987(3) 7 ?
OBZ OA1 4.295(3) 6_656 ?
OBZ OA1 5.058(3) 1_656 ?
OCO T2O 1.740(2) 8_455 ?
OCO SrOO 3.2364(19) 8_455 ?
OCO OA1 3.974(3) 8_455 ?
OCO OA1 5.164(3) 8 ?
OCO OA1 5.293(3) 7 ?
OCZ T2Z 1.611(2) 8_455 ?
OCZ OA1 2.950(2) 2 ?
OCZ SrOO 3.0867(19) 3_455 ?
OCZ OA1 4.043(3) 7_455 ?
OCZ OA1 5.154(3) 7 ?
OCZ OA1 5.156(3) 8_556 ?
ODO T2O 1.736(2) 2_655 ?
ODO OA1 4.169(3) 5 ?
ODO OA1 5.102(3) 7 ?
ODO OA1 5.223(3) 2 ?
ODO OA1 5.610(3) 8 ?
ODZ T2Z 1.622(2) 2_656 ?
ODZ OA1 2.668(3) 2 ?
ODZ SrOO 2.7442(19) 6_556 ?
ODZ OA1 4.159(3) 6_556 ?
ODZ OA1 5.087(3) 8_556 ?
ODZ OA1 5.139(3) 1_556 ?
ODZ OA1 5.633(3) 7 ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
OA2 SrOO OA1 139.13(7) . . ?
OA2 SrOO OA1 142.26(7) . 5 ?
OA1 SrOO OA1 78.60(4) . 5 ?
OA2 SrOO ODZ 103.19(6) . 6 ?
OA1 SrOO ODZ 101.34(6) . 6 ?
OA1 SrOO ODZ 59.29(6) 5 6 ?
OA2 SrOO OBO 104.63(6) . 5_655 ?
OA1 SrOO OBO 100.42(6) . 5_655 ?
OA1 SrOO OBO 55.79(5) 5 5_655 ?
ODZ SrOO OBO 104.07(6) 6 5_655 ?
OA2 SrOO ODO 104.05(6) . . ?
OA1 SrOO ODO 55.76(6) . . ?
OA1 SrOO ODO 100.20(6) 5 . ?
ODZ SrOO ODO 69.76(4) 6 . ?
OBO SrOO ODO 151.31(6) 5_655 . ?
OA2 SrOO OBZ 100.22(6) . 2_655 ?
OA1 SrOO OBZ 58.05(5) . 2_655 ?
OA1 SrOO OBZ 102.37(6) 5 2_655 ?
ODZ SrOO OBZ 156.46(6) 6 2_655 ?
OBO SrOO OBZ 71.91(4) 5_655 2_655 ?
ODO SrOO OBZ 102.24(6) . 2_655 ?
OA2 SrOO OCZ 52.94(6) . 3_544 ?
OA1 SrOO OCZ 167.92(5) . 3_544 ?
OA1 SrOO OCZ 89.34(5) 5 3_544 ?
ODZ SrOO OCZ 71.37(5) 6 3_544 ?
OBO SrOO OCZ 72.86(6) 5_655 3_544 ?
ODO SrOO OCZ 127.02(6) . 3_544 ?
OBZ SrOO OCZ 126.52(5) 2_655 3_544 ?
OA2 SrOO OCO 54.54(6) . 8 ?
OA1 SrOO OCO 84.59(5) . 8 ?
OA1 SrOO OCO 163.11(5) 5 8 ?
ODZ SrOO OCO 126.79(5) 6 8 ?
OBO SrOO OCO 127.06(5) 5_655 8 ?
ODO SrOO OCO 71.08(5) . 8 ?
OBZ SrOO OCO 66.71(5) 2_655 8 ?
OCZ SrOO OCO 107.49(4) 3_544 8 ?
OA2 SrOO T1O 127.54(5) . 5 ?
OA1 SrOO T1O 87.60(5) . 5 ?
OA1 SrOO T1O 28.08(4) 5 5 ?
ODZ SrOO T1O 82.59(4) 6 5 ?
OBO SrOO T1O 27.86(4) 5_655 5 ?
ODO SrOO T1O 125.95(4) . 5 ?
OBZ SrOO T1O 85.09(4) 2_655 5 ?
OCZ SrOO T1O 81.97(4) 3_544 5 ?
OCO SrOO T1O 150.55(4) 8 5 ?
OA2 SrOO T1O 126.11(5) . . ?
OA1 SrOO T1O 27.92(5) . . ?
OA1 SrOO T1O 87.24(4) 5 . ?
ODZ SrOO T1O 83.34(4) 6 . ?
OBO SrOO T1O 125.86(5) 5_655 . ?
ODO SrOO T1O 28.01(4) . . ?
OBZ SrOO T1O 80.98(4) 2_655 . ?
OCZ SrOO T1O 152.30(4) 3_544 . ?
OCO SrOO T1O 78.50(4) 8 . ?
T1O SrOO T1O 106.323(17) 5 . ?
OA2 SrOO T2Z 25.26(5) . 6 ?
OA1 SrOO T2Z 164.33(4) . 6 ?
OA1 SrOO T2Z 117.05(4) 5 6 ?
ODZ SrOO T2Z 87.15(4) 6 6 ?
OBO SrOO T2Z 90.09(4) 5_655 6 ?
ODO SrOO T2Z 116.82(4) . 6 ?
OBZ SrOO T2Z 115.66(4) 2_655 6 ?
OCZ SrOO T2Z 27.71(4) 3_544 6 ?
OCO SrOO T2Z 79.79(4) 8 6 ?
T1O SrOO T2Z 106.701(19) 5 6 ?
T1O SrOO T2Z 144.04(2) . 6 ?
OCO T1O OBO 112.39(10) . 1_455 ?
OCO T1O ODO 110.22(12) . . ?
OBO T1O ODO 114.45(11) 1_455 . ?
OCO T1O OA1 115.13(10) . . ?
OBO T1O OA1 101.85(11) 1_455 . ?
ODO T1O OA1 102.28(11) . . ?
OCO T1O SrOO 134.60(9) . 5 ?
OBO T1O SrOO 52.80(7) 1_455 5 ?
ODO T1O SrOO 114.76(8) . 5 ?
OA1 T1O SrOO 49.38(7) . 5 ?
OCO T1O SrOO 133.29(7) . . ?
OBO T1O SrOO 113.90(7) 1_455 . ?
ODO T1O SrOO 54.01(7) . . ?
OA1 T1O SrOO 48.67(8) . . ?
SrOO T1O SrOO 73.677(17) 5 . ?
OCO T1O OA1 163.01(9) . 5 ?
OBO T1O OA1 76.08(8) 1_455 5 ?
ODO T1O OA1 77.29(9) . 5 ?
OA1 T1O OA1 47.88(8) . 5 ?
SrOO T1O OA1 38.60(3) 5 5 ?
SrOO T1O OA1 38.85(3) . 5 ?
OCO T1O OA1 57.65(8) . 8_455 ?
OBO T1O OA1 59.59(8) 1_455 8_455 ?
ODO T1O OA1 153.49(8) . 8_455 ?
OA1 T1O OA1 104.23(10) . 8_455 ?
SrOO T1O OA1 83.13(3) 5 8_455 ?
SrOO T1O OA1 152.18(4) . 8_455 ?
OA1 T1O OA1 121.55(3) 5 8_455 ?
OCO T1O OA1 64.63(7) . 8 ?
OBO T1O OA1 163.84(9) 1_455 8 ?
ODO T1O OA1 80.58(7) . 8 ?
OA1 T1O OA1 67.66(7) . 8 ?
SrOO T1O OA1 116.75(3) 5 8 ?
SrOO T1O OA1 69.19(2) . 8 ?
OA1 T1O OA1 102.96(2) 5 8 ?
OA1 T1O OA1 109.75(3) 8_455 8 ?
OCO T1O OA1 92.04(8) . 2 ?
OBO T1O OA1 64.48(8) 1_455 2 ?
ODO T1O OA1 66.62(7) . 2 ?
OA1 T1O OA1 152.81(7) . 2 ?
SrOO T1O OA1 110.84(3) 5 2 ?
SrOO T1O OA1 113.07(3) . 2 ?
OA1 T1O OA1 104.95(3) 5 2 ?
OA1 T1O OA1 89.22(4) 8_455 2 ?
OA1 T1O OA1 130.17(2) 8 2 ?
OCO T1O OA1 60.39(8) . 7 ?
OBO T1O OA1 116.70(8) 1_455 7 ?
ODO T1O OA1 53.42(8) . 7 ?
OA1 T1O OA1 140.06(7) . 7 ?
SrOO T1O OA1 162.32(2) 5 7 ?
SrOO T1O OA1 102.66(3) . 7 ?
OA1 T1O OA1 130.41(5) 5 7 ?
OA1 T1O OA1 104.00(4) 8_455 7 ?
OA1 T1O OA1 76.51(4) 8 7 ?
OA1 T1O OA1 53.97(3) 2 7 ?
OCZ T1Z OBZ 113.94(10) . 1_455 ?
OCZ T1Z ODZ 110.70(11) . . ?
OBZ T1Z ODZ 115.92(10) 1_455 . ?
OCZ T1Z OA1 115.96(9) . 2 ?
OBZ T1Z OA1 100.05(10) 1_455 2 ?
ODZ T1Z OA1 99.12(10) . 2 ?
OCZ T1Z SrOO 130.66(7) . 6_556 ?
OBZ T1Z SrOO 114.88(7) 1_455 6_556 ?
ODZ T1Z SrOO 51.22(7) . 6_556 ?
OA1 T1Z SrOO 48.03(7) 2 6_556 ?
OCZ T1Z SrOO 137.64(8) . 2 ?
OBZ T1Z SrOO 54.13(7) 1_455 2 ?
ODZ T1Z SrOO 110.33(8) . 2 ?
OA1 T1Z SrOO 46.57(7) 2 2 ?
SrOO T1Z SrOO 71.560(17) 6_556 2 ?
OCZ T1Z OA1 161.66(8) . 6_556 ?
OBZ T1Z OA1 77.93(7) 1_455 6_556 ?
ODZ T1Z OA1 73.32(8) . 6_556 ?
OA1 T1Z OA1 46.23(7) 2 6_556 ?
SrOO T1Z OA1 37.63(3) 6_556 6_556 ?
SrOO T1Z OA1 37.86(3) 2 6_556 ?
OCZ T1Z OA1 60.71(7) . 7_455 ?
OBZ T1Z OA1 58.87(7) 1_455 7_455 ?
ODZ T1Z OA1 159.08(8) . 7_455 ?
OA1 T1Z OA1 101.75(10) 2 7_455 ?
SrOO T1Z OA1 149.41(4) 6_556 7_455 ?
SrOO T1Z OA1 83.52(3) 2 7_455 ?
OA1 T1Z OA1 121.31(3) 6_556 7_455 ?
OCZ T1Z OA1 91.85(7) . 1_556 ?
OBZ T1Z OA1 66.18(8) 1_455 1_556 ?
ODZ T1Z OA1 68.88(7) . 1_556 ?
OA1 T1Z OA1 152.19(7) 2 1_556 ?
SrOO T1Z OA1 113.87(3) 6_556 1_556 ?
SrOO T1Z OA1 112.41(3) 2 1_556 ?
OA1 T1Z OA1 106.05(3) 6_556 1_556 ?
OA1 T1Z OA1 91.62(4) 7_455 1_556 ?
OCZ T1Z OA1 64.20(7) . 7 ?
OBZ T1Z OA1 161.81(8) 1_455 7 ?
ODZ T1Z OA1 80.07(7) . 7 ?
OA1 T1Z OA1 67.34(7) 2 7 ?
SrOO T1Z OA1 67.26(2) 6_556 7 ?
SrOO T1Z OA1 113.77(3) 2 7 ?
OA1 T1Z OA1 100.00(2) 6_556 7 ?
OA1 T1Z OA1 109.36(3) 7_455 7 ?
OA1 T1Z OA1 130.81(2) 1_556 7 ?
OCZ T1Z OA1 58.46(8) . 8_556 ?
OBZ T1Z OA1 119.21(8) 1_455 8_556 ?
ODZ T1Z OA1 56.35(7) . 8_556 ?
OA1 T1Z OA1 139.48(7) 2 8_556 ?
SrOO T1Z OA1 101.98(3) 6_556 8_556 ?
SrOO T1Z OA1 163.05(3) 2 8_556 ?
OA1 T1Z OA1 129.54(5) 6_556 8_556 ?
OA1 T1Z OA1 106.66(4) 7_455 8_556 ?
OA1 T1Z OA1 54.96(3) 1_556 8_556 ?
OA1 T1Z OA1 76.23(4) 7 8_556 ?
OBO T2O ODO 112.25(11) . 2_655 ?
OBO T2O OCO 113.01(10) . 8 ?
ODO T2O OCO 116.00(10) 2_655 8 ?
OBO T2O OA2 106.77(9) . . ?
ODO T2O OA2 106.16(9) 2_655 . ?
OCO T2O OA2 101.35(9) 8 . ?
OBO T2O SrOO 123.82(8) . . ?
ODO T2O SrOO 118.33(7) 2_655 . ?
OCO T2O SrOO 64.20(7) 8 . ?
OA2 T2O SrOO 37.35(5) . . ?
OBO T2O SrOO 40.35(7) . 5_655 ?
ODO T2O SrOO 138.89(8) 2_655 5_655 ?
OCO T2O SrOO 104.63(7) 8 5_655 ?
OA2 T2O SrOO 69.99(5) . 5_655 ?
SrOO T2O SrOO 84.171(19) . 5_655 ?
OBO T2O OA1 79.67(8) . 8 ?
ODO T2O OA1 122.35(8) 2_655 8 ?
OCO T2O OA1 35.56(7) 8 8 ?
OA2 T2O OA1 124.57(7) . 8 ?
SrOO T2O OA1 92.53(4) . 8 ?
SrOO T2O OA1 87.41(3) 5_655 8 ?
OBO T2O OA1 2.69(8) . 1_655 ?
ODO T2O OA1 114.73(8) 2_655 1_655 ?
OCO T2O OA1 112.03(7) 8 1_655 ?
OA2 T2O OA1 104.74(6) . 1_655 ?
SrOO T2O OA1 121.14(4) . 1_655 ?
SrOO T2O OA1 37.78(3) 5_655 1_655 ?
OA1 T2O OA1 79.29(4) 8 1_655 ?
OBO T2O OA1 111.50(8) . 2_655 ?
ODO T2O OA1 0.96(8) 2_655 2_655 ?
OCO T2O OA1 116.94(8) 8 2_655 ?
OA2 T2O OA1 105.96(6) . 2_655 ?
SrOO T2O OA1 118.76(3) . 2_655 ?
SrOO T2O OA1 137.93(3) 5_655 2_655 ?
OA1 T2O OA1 122.96(4) 8 2_655 ?
OA1 T2O OA1 113.96(4) 1_655 2_655 ?
OBO T2O OA1 126.63(8) . . ?
ODO T2O OA1 120.79(8) 2_655 . ?
OCO T2O OA1 36.80(7) 8 . ?
OA2 T2O OA1 64.84(6) . . ?
SrOO T2O OA1 27.500(17) . . ?
SrOO T2O OA1 95.31(3) 5_655 . ?
OA1 T2O OA1 68.01(4) 8 . ?
OA1 T2O OA1 124.27(6) 1_655 . ?
OA1 T2O OA1 121.60(3) 2_655 . ?
OBO T2O OA1 40.35(7) . 5_655 ?
ODO T2O OA1 111.15(8) 2_655 5_655 ?
OCO T2O OA1 132.66(8) 8 5_655 ?
OA2 T2O OA1 68.52(5) . 5_655 ?
SrOO T2O OA1 97.15(3) . 5_655 ?
SrOO T2O OA1 28.04(3) 5_655 5_655 ?
OA1 T2O OA1 111.51(3) 8 5_655 ?
OA1 T2O OA1 39.08(3) 1_655 5_655 ?
OA1 T2O OA1 110.20(4) 2_655 5_655 ?
OA1 T2O OA1 116.92(3) . 5_655 ?
OBO T2O OA1 108.04(8) . 6_656 ?
ODO T2O OA1 39.06(7) 2_655 6_656 ?
OCO T2O OA1 138.66(7) 8 6_656 ?
OA2 T2O OA1 70.52(6) . 6_656 ?
SrOO T2O OA1 96.77(3) . 6_656 ?
SrOO T2O OA1 109.66(3) 5_655 6_656 ?
OA1 T2O OA1 161.25(5) 8 6_656 ?
OA1 T2O OA1 109.20(5) 1_655 6_656 ?
OA1 T2O OA1 38.49(3) 2_655 6_656 ?
OA1 T2O OA1 116.23(4) . 6_656 ?
OA1 T2O OA1 83.50(4) 5_655 6_656 ?
OCZ T2Z OBZ 113.29(10) 8 . ?
OCZ T2Z ODZ 113.22(11) 8 2_656 ?
OBZ T2Z ODZ 110.54(11) . 2_656 ?
OCZ T2Z OA2 102.61(10) 8 6_556 ?
OBZ T2Z OA2 108.25(9) . 6_556 ?
ODZ T2Z OA2 108.41(10) 2_656 6_556 ?
OCZ T2Z SrOO 62.97(7) 8 6_556 ?
OBZ T2Z SrOO 124.98(8) . 6_556 ?
ODZ T2Z SrOO 121.11(8) 2_656 6_556 ?
OA2 T2Z SrOO 39.70(5) 6_556 6_556 ?
OCZ T2Z OA1 38.05(7) 8 7 ?
OBZ T2Z OA1 76.35(8) . 7 ?
ODZ T2Z OA1 121.58(9) 2_656 7 ?
OA2 T2Z OA1 124.65(7) 6_556 7 ?
SrOO T2Z OA1 91.16(4) 6_556 7 ?
OCZ T2Z OA1 114.20(8) 8 2_655 ?
OBZ T2Z OA1 4.32(8) . 2_655 ?
ODZ T2Z OA1 113.20(9) 2_656 2_655 ?
OA2 T2Z OA1 104.00(6) 6_556 2_655 ?
SrOO T2Z OA1 121.24(4) 6_556 2_655 ?
OA1 T2Z OA1 78.03(4) 7 2_655 ?
OCZ T2Z OA1 113.85(8) 8 1_656 ?
OBZ T2Z OA1 109.37(9) . 1_656 ?
ODZ T2Z OA1 1.18(8) 2_656 1_656 ?
OA2 T2Z OA1 109.08(6) 6_556 1_656 ?
SrOO T2Z OA1 122.26(3) 6_556 1_656 ?
OA1 T2Z OA1 121.37(4) 7 1_656 ?
OA1 T2Z OA1 112.03(4) 2_655 1_656 ?
OCZ T2Z OA1 36.18(7) 8 2 ?
OBZ T2Z OA1 125.66(9) . 2 ?
ODZ T2Z OA1 122.61(8) 2_656 2 ?
OA2 T2Z OA1 66.47(6) 6_556 2 ?
SrOO T2Z OA1 26.789(17) 6_556 2 ?
OA1 T2Z OA1 67.46(4) 7 2 ?
OA1 T2Z OA1 123.65(6) 2_655 2 ?
OA1 T2Z OA1 123.73(3) 1_656 2 ?
OCZ T2Z OA1 135.20(7) 8 5_656 ?
OBZ T2Z OA1 110.39(8) . 5_656 ?
ODZ T2Z OA1 38.78(8) 2_656 5_656 ?
OA2 T2Z OA1 72.07(6) 6_556 5_656 ?
SrOO T2Z OA1 99.13(3) 6_556 5_656 ?
OA1 T2Z OA1 160.18(5) 7 5_656 ?
OA1 T2Z OA1 110.11(5) 2_655 5_656 ?
OA1 T2Z OA1 39.07(3) 1_656 5_656 ?
OA1 T2Z OA1 117.49(4) 2 5_656 ?
OCZ T2Z OA1 136.54(8) 8 6_656 ?
OBZ T2Z OA1 42.31(8) . 6_656 ?
ODZ T2Z OA1 109.78(8) 2_656 6_656 ?
OA2 T2Z OA1 68.69(6) 6_556 6_656 ?
SrOO T2Z OA1 99.57(3) 6_556 6_656 ?
OA1 T2Z OA1 110.71(2) 7 6_656 ?
OA1 T2Z OA1 38.67(3) 2_655 6_656 ?
OA1 T2Z OA1 109.03(4) 1_656 6_656 ?
OA1 T2Z OA1 118.68(3) 2 6_656 ?
OA1 T2Z OA1 84.37(4) 5_656 6_656 ?
OCZ T2Z OA1 69.72(7) 8 6_556 ?
OBZ T2Z OA1 123.80(8) . 6_556 ?
ODZ T2Z OA1 119.15(8) 2_656 6_556 ?
OA2 T2Z OA1 32.99(6) 6_556 6_556 ?
SrOO T2Z OA1 6.759(18) 6_556 6_556 ?
OA1 T2Z OA1 97.35(3) 7 6_556 ?
OA1 T2Z OA1 119.80(3) 2_655 6_556 ?
OA1 T2Z OA1 120.25(4) 1_656 6_556 ?
OA1 T2Z OA1 33.54(3) 2 6_556 ?
OA1 T2Z OA1 93.97(4) 5_656 6_556 ?
OA1 T2Z OA1 94.77(3) 6_656 6_556 ?
T1O OA1 T1Z 137.72(9) . 2 ?
T1O OA1 OBO 38.66(7) . 1_455 ?
T1Z OA1 OBO 141.08(13) 2 1_455 ?
T1O OA1 ODO 38.51(7) . . ?
T1Z OA1 ODO 143.78(12) 2 . ?
OBO OA1 ODO 64.85(8) 1_455 . ?
T1O OA1 SrOO 103.41(11) . . ?
T1Z OA1 SrOO 104.43(9) 2 . ?
OBO OA1 SrOO 113.83(9) 1_455 . ?
ODO OA1 SrOO 65.19(7) . . ?
T1O OA1 SrOO 102.54(9) . 5 ?
T1Z OA1 SrOO 102.39(11) 2 5 ?
OBO OA1 SrOO 64.12(7) 1_455 5 ?
ODO OA1 SrOO 113.56(8) . 5 ?
SrOO OA1 SrOO 101.40(4) . 5 ?
T1O OA1 ODZ 141.94(13) . 2 ?
T1Z OA1 ODZ 40.32(7) 2 2 ?
OBO OA1 ODZ 112.92(11) 1_455 2 ?
ODO OA1 ODZ 175.49(9) . 2 ?
SrOO OA1 ODZ 113.48(8) . 2 ?
SrOO OA1 ODZ 62.17(7) 5 2 ?
T1O OA1 OBZ 142.01(13) . 2_655 ?
T1Z OA1 OBZ 39.63(7) 2 2_655 ?
OBO OA1 OBZ 178.81(7) 1_455 2_655 ?
ODO OA1 OBZ 115.09(11) . 2_655 ?
SrOO OA1 OBZ 65.30(6) . 2_655 ?
SrOO OA1 OBZ 115.08(8) 5 2_655 ?
ODZ OA1 OBZ 67.05(8) 2 2_655 ?
T1O OA1 OCO 31.98(6) . . ?
T1Z OA1 OCO 105.77(8) 2 . ?
OBO OA1 OCO 60.82(7) 1_455 . ?
ODO OA1 OCO 59.92(8) . . ?
SrOO OA1 OCO 120.25(10) . . ?
SrOO OA1 OCO 120.29(8) 5 . ?
ODZ OA1 OCO 122.96(9) 2 . ?
OBZ OA1 OCO 120.27(8) 2_655 . ?
T1O OA1 OCZ 106.07(7) . 2 ?
T1Z OA1 OCZ 31.66(5) 2 2 ?
OBO OA1 OCZ 119.35(8) 1_455 2 ?
ODO OA1 OCZ 123.61(9) . 2 ?
SrOO OA1 OCZ 123.58(8) . 2 ?
SrOO OA1 OCZ 117.25(9) 5 2 ?
ODZ OA1 OCZ 60.85(7) 2 2 ?
OBZ OA1 OCZ 61.75(7) 2_655 2 ?
OCO OA1 OCZ 74.20(5) . 2 ?
T1O OA1 OA1 110.76(11) . 5 ?
T1Z OA1 OA1 111.47(11) 2 5 ?
OBO OA1 OA1 88.43(8) 1_455 5 ?
ODO OA1 OA1 89.20(10) . 5 ?
SrOO OA1 OA1 50.90(5) . 5 ?
SrOO OA1 OA1 50.50(6) 5 5 ?
ODZ OA1 OA1 86.79(9) 2 5 ?
OBZ OA1 OA1 90.38(8) 2_655 5 ?
OCO OA1 OA1 142.74(12) . 5 ?
OCZ OA1 OA1 142.93(12) 2 5 ?
T1O OA1 T2O 44.76(5) . 8_455 ?
T1Z OA1 T2O 97.16(6) 2 8_455 ?
OBO OA1 T2O 80.15(6) 1_455 8_455 ?
ODO OA1 T2O 56.63(6) . 8_455 ?
SrOO OA1 T2O 104.93(7) . 8_455 ?
SrOO OA1 T2O 141.92(7) 5 8_455 ?
ODZ OA1 T2O 127.47(7) 2 8_455 ?
OBZ OA1 T2O 100.83(7) 2_655 8_455 ?
OCO OA1 T2O 21.70(4) . 8_455 ?
OCZ OA1 T2O 68.45(5) 2 8_455 ?
OA1 OA1 T2O 145.68(12) 5 8_455 ?
T1O OA1 OCO 86.54(10) . 8 ?
T1Z OA1 OCO 84.64(8) 2 8 ?
OBO OA1 OCO 123.39(10) 1_455 8 ?
ODO OA1 OCO 60.78(7) . 8 ?
SrOO OA1 OCO 54.17(5) . 8 ?
SrOO OA1 OCO 155.53(6) 5 8 ?
ODZ OA1 OCO 122.36(8) 2 8 ?
OBZ OA1 OCO 56.92(7) 2_655 8 ?
OCO OA1 OCO 79.01(6) . 8 ?
OCZ OA1 OCO 80.86(6) 2 8 ?
OA1 OA1 OCO 105.06(10) 5 8 ?
T2O OA1 OCO 57.87(4) 8_455 8 ?
T1O OA1 OBZ 80.16(7) . 7 ?
T1Z OA1 OBZ 65.53(7) 2 7 ?
OBO OA1 OBZ 78.04(7) 1_455 7 ?
ODO OA1 OBZ 115.87(7) . 7 ?
SrOO OA1 OBZ 165.23(7) . 7 ?
SrOO OA1 OBZ 91.64(7) 5 7 ?
ODZ OA1 OBZ 66.61(7) 2 7 ?
OBZ OA1 OBZ 102.95(7) 2_655 7 ?
OCO OA1 OBZ 56.51(6) . 7 ?
OCZ OA1 OBZ 42.49(5) 2 7 ?
OA1 OA1 OBZ 141.61(12) 5 7 ?
T2O OA1 OBZ 67.29(4) 8_455 7 ?
OCO OA1 OBZ 112.43(5) 8 7 ?
T1O OA1 OBO 68.28(7) . 8_455 ?
T1Z OA1 OBO 79.28(7) 2 8_455 ?
OBO OA1 OBO 105.08(7) 1_455 8_455 ?
ODO OA1 OBO 67.24(7) . 8_455 ?
SrOO OA1 OBO 92.55(7) . 8_455 ?
SrOO OA1 OBO 164.94(7) 5 8_455 ?
ODZ OA1 OBO 117.27(7) 2 8_455 ?
OBZ OA1 OBO 75.88(6) 2_655 8_455 ?
OCO OA1 OBO 45.96(5) . 8_455 ?
OCZ OA1 OBO 57.30(5) 2 8_455 ?
OA1 OA1 OBO 143.08(12) 5 8_455 ?
T2O OA1 OBO 25.03(3) 8_455 8_455 ?
OCO OA1 OBO 38.98(4) 8 8_455 ?
OBZ OA1 OBO 75.30(4) 7 8_455 ?
T1O OA1 OCZ 86.28(9) . 7_455 ?
T1Z OA1 OCZ 84.42(9) 2 7_455 ?
OBO OA1 OCZ 58.58(7) 1_455 7_455 ?
ODO OA1 OCZ 122.10(8) . 7_455 ?
SrOO OA1 OCZ 151.16(6) . 7_455 ?
SrOO OA1 OCZ 49.77(5) 5 7_455 ?
ODZ OA1 OCZ 56.79(7) 2 7_455 ?
OBZ OA1 OCZ 121.74(9) 2_655 7_455 ?
OCO OA1 OCZ 82.04(7) . 7_455 ?
OCZ OA1 OCZ 77.81(6) 2 7_455 ?
OA1 OA1 OCZ 100.26(9) 5 7_455 ?
T2O OA1 OCZ 101.01(5) 8_455 7_455 ?
OCO OA1 OCZ 154.61(5) 8 7_455 ?
OBZ OA1 OCZ 42.26(4) 7 7_455 ?
OBO OA1 OCZ 116.19(5) 8_455 7_455 ?
T1O OA1 T2Z 96.47(6) . 7 ?
T1Z OA1 T2Z 44.27(5) 2 7 ?
OBO OA1 T2Z 101.05(7) 1_455 7 ?
ODO OA1 T2Z 125.06(7) . 7 ?
SrOO OA1 T2Z 143.24(7) . 7 ?
SrOO OA1 T2Z 104.04(7) 5 7 ?
ODZ OA1 T2Z 58.77(6) 2 7 ?
OBZ OA1 T2Z 79.97(6) 2_655 7 ?
OCO OA1 T2Z 66.96(5) . 7 ?
OCZ OA1 T2Z 19.68(4) 2 7 ?
OA1 OA1 T2Z 145.36(12) 5 7 ?
T2O OA1 T2Z 68.93(2) 8_455 7 ?
OCO OA1 T2Z 97.33(5) 8 7 ?
OBZ OA1 T2Z 23.15(3) 7 7 ?
OBO OA1 T2Z 66.49(4) 8_455 7 ?
OCZ OA1 T2Z 59.42(4) 7_455 7 ?
T1O OA1 OBO 139.79(10) . 5_655 ?
T1Z OA1 OBO 79.67(7) 2 5_655 ?
OBO OA1 OBO 126.06(6) 1_455 5_655 ?
ODO OA1 OBO 104.38(8) . 5_655 ?
SrOO OA1 OBO 40.82(4) . 5_655 ?
SrOO OA1 OBO 75.65(4) 5 5_655 ?
ODZ OA1 OBO 73.55(6) 2 5_655 ?
OBZ OA1 OBO 52.75(5) 2_655 5_655 ?
OCO OA1 OBO 160.31(10) . 5_655 ?
OCZ OA1 OBO 110.23(7) 2 5_655 ?
OA1 OA1 OBO 37.64(5) 5 5_655 ?
T2O OA1 OBO 140.57(7) 8_455 5_655 ?
OCO OA1 OBO 82.75(6) 8 5_655 ?
OBZ OA1 OBO 139.50(7) 7 5_655 ?
OBO OA1 OBO 119.19(5) 8_455 5_655 ?
OCZ OA1 OBO 117.55(6) 7_455 5_655 ?
T2Z OA1 OBO 123.25(6) 7 5_655 ?
T1O OA1 ODZ 77.28(8) . 6 ?
T1Z OA1 ODZ 141.57(8) 2 6 ?
OBO OA1 ODZ 74.22(7) 1_455 6 ?
ODO OA1 ODZ 49.41(6) . 6 ?
SrOO OA1 ODZ 40.31(4) . 6 ?
SrOO OA1 ODZ 77.77(4) 5 6 ?
ODZ OA1 ODZ 126.62(6) 2 6 ?
OBZ OA1 ODZ 104.80(7) 2_655 6 ?
OCO OA1 ODZ 106.91(8) . 6 ?
OCZ OA1 ODZ 162.54(9) 2 6 ?
OA1 OA1 ODZ 39.83(6) 5 6 ?
T2O OA1 ODZ 105.88(6) 8_455 6 ?
OCO OA1 ODZ 82.27(6) 8 6 ?
OBZ OA1 ODZ 152.22(6) 7 6 ?
OBO OA1 ODZ 110.41(7) 8_455 6 ?
OCZ OA1 ODZ 119.65(6) 7_455 6 ?
T2Z OA1 ODZ 173.75(6) 7 6 ?
OBO OA1 ODZ 62.94(4) 5_655 6 ?
T1O OA1 ODO 139.51(9) . 5 ?
T1Z OA1 ODO 78.62(8) 2 5 ?
OBO OA1 ODO 103.68(7) 1_455 5 ?
ODO OA1 ODO 126.68(6) . 5 ?
SrOO OA1 ODO 75.49(4) . 5 ?
SrOO OA1 ODO 41.12(4) 5 5 ?
ODZ OA1 ODO 49.34(5) 2 5 ?
OBZ OA1 ODO 75.36(7) 2_655 5 ?
OCO OA1 ODO 160.62(9) . 5 ?
OCZ OA1 ODO 107.64(8) 2 5 ?
OA1 OA1 ODO 37.48(6) 5 5 ?
T2O OA1 ODO 175.68(6) 8_455 5 ?
OCO OA1 ODO 120.36(6) 8 5 ?
OBZ OA1 ODO 111.29(7) 7 5 ?
OBO OA1 ODO 151.24(6) 8_455 5 ?
OCZ OA1 ODO 79.60(6) 7_455 5 ?
T2Z OA1 ODO 108.08(6) 7 5 ?
OBO OA1 ODO 38.16(4) 5_655 5 ?
ODZ OA1 ODO 77.29(4) 6 5 ?
T1O OA1 T1O 132.12(8) . 5 ?
T1Z OA1 T1O 90.13(7) 2 5 ?
OBO OA1 T1O 106.40(6) 1_455 5 ?
ODO OA1 T1O 107.08(7) . 5 ?
SrOO OA1 T1O 53.80(3) . 5 ?
SrOO OA1 T1O 53.90(3) 5 5 ?
ODZ OA1 T1O 69.45(6) 2 5 ?
OBZ OA1 T1O 72.44(6) 2_655 5 ?
OCO OA1 T1O 164.10(8) . 5 ?
OCZ OA1 T1O 121.68(7) 2 5 ?
OA1 OA1 T1O 21.35(5) 5 5 ?
T2O OA1 T1O 158.71(7) 8_455 5 ?
OCO OA1 T1O 103.27(5) 8 5 ?
OBZ OA1 T1O 133.50(7) 7 5 ?
OBO OA1 T1O 141.11(6) 8_455 5 ?
OCZ OA1 T1O 99.59(5) 7_455 5 ?
T2Z OA1 T1O 127.50(6) 7 5 ?
OBO OA1 T1O 22.24(3) 5_655 5 ?
ODZ OA1 T1O 58.43(3) 6 5 ?
ODO OA1 T1O 22.23(3) 5 5 ?
T1O OA1 T2O 40.47(6) . 1_455 ?
T1Z OA1 T2O 140.13(10) 2 1_455 ?
OBO OA1 T2O 1.84(5) 1_455 1_455 ?
ODO OA1 T2O 66.50(6) . 1_455 ?
SrOO OA1 T2O 114.41(6) . 1_455 ?
SrOO OA1 T2O 62.36(4) 5 1_455 ?
ODZ OA1 T2O 111.22(8) 2 1_455 ?
OBZ OA1 T2O 177.42(8) 2_655 1_455 ?
OCO OA1 T2O 62.21(5) . 1_455 ?
OCZ OA1 T2O 119.36(6) 2 1_455 ?
OA1 OA1 T2O 87.60(7) 5 1_455 ?
T2O OA1 T2O 81.74(4) 8_455 1_455 ?
OCO OA1 T2O 125.21(6) 8 1_455 ?
OBZ OA1 T2O 77.75(4) 7 1_455 ?
OBO OA1 T2O 106.70(5) 8_455 1_455 ?
OCZ OA1 T2O 57.17(4) 7_455 1_455 ?
T2Z OA1 T2O 100.82(4) 7 1_455 ?
OBO OA1 T2O 125.21(5) 5_655 1_455 ?
ODZ OA1 T2O 74.58(4) 6 1_455 ?
ODO OA1 T2O 102.07(5) 5 1_455 ?
T1O OA1 T2O 105.25(4) 5 1_455 ?
T1O OA1 T2O 38.31(7) . 2_655 ?
T1Z OA1 T2O 144.43(10) 2 2_655 ?
OBO OA1 T2O 64.31(7) 1_455 2_655 ?
ODO OA1 T2O 0.65(5) . 2_655 ?
SrOO OA1 T2O 65.32(5) . 2_655 ?
SrOO OA1 T2O 112.91(6) 5 2_655 ?
ODZ OA1 T2O 174.90(7) 2 2_655 ?
OBZ OA1 T2O 115.62(9) 2_655 2_655 ?
OCO OA1 T2O 60.08(6) . 2_655 ?
OCZ OA1 T2O 124.14(7) 2 2_655 ?
OA1 OA1 T2O 88.82(8) 5 2_655 ?
T2O OA1 T2O 57.04(4) 8_455 2_655 ?
OCO OA1 T2O 61.40(5) 8 2_655 ?
OBZ OA1 T2O 115.93(5) 7 2_655 ?
OBO OA1 T2O 67.83(5) 8_455 2_655 ?
OCZ OA1 T2O 121.65(5) 7_455 2_655 ?
T2Z OA1 T2O 125.39(4) 7 2_655 ?
OBO OA1 T2O 104.37(5) 5_655 2_655 ?
ODZ OA1 T2O 49.04(4) 6 2_655 ?
ODO OA1 T2O 126.30(5) 5 2_655 ?
T1O OA1 T2O 106.81(4) 5 2_655 ?
T2O OA1 T2O 65.95(4) 1_455 2_655 ?
T1O OA1 T2Z 142.01(11) . 2_655 ?
T1Z OA1 T2Z 42.06(6) 2 2_655 ?
OBO OA1 T2Z 176.32(7) 1_455 2_655 ?
ODO OA1 T2Z 113.58(9) . 2_655 ?
SrOO OA1 T2Z 62.75(4) . 2_655 ?
SrOO OA1 T2Z 114.59(6) 5 2_655 ?
ODZ OA1 T2Z 68.39(6) 2 2_655 ?
OBZ OA1 T2Z 2.61(5) 2_655 2_655 ?
OCO OA1 T2Z 121.69(7) . 2_655 ?
OCZ OA1 T2Z 64.33(5) 2 2_655 ?
OA1 OA1 T2Z 88.22(7) 5 2_655 ?
T2O OA1 T2Z 101.85(5) 8_455 2_655 ?
OCO OA1 T2Z 56.22(4) 8 2_655 ?
OBZ OA1 T2Z 105.55(5) 7 2_655 ?
OBO OA1 T2Z 76.83(4) 8_455 2_655 ?
OCZ OA1 T2Z 123.61(6) 7_455 2_655 ?
T2Z OA1 T2Z 82.58(4) 7 2_655 ?
OBO OA1 T2Z 50.60(3) 5_655 2_655 ?
ODZ OA1 T2Z 102.20(5) 6 2_655 ?
ODO OA1 T2Z 74.44(4) 5 2_655 ?
T1O OA1 T2Z 70.64(3) 5 2_655 ?
T2O OA1 T2Z 175.82(4) 1_455 2_655 ?
T2O OA1 T2Z 114.10(6) 2_655 2_655 ?
T1O OA1 T2Z 142.45(11) . 1_454 ?
T1Z OA1 T2Z 39.67(6) 2 1_454 ?
OBO OA1 T2Z 113.63(9) 1_455 1_454 ?
ODO OA1 T2Z 175.94(7) . 1_454 ?
SrOO OA1 T2Z 113.12(6) . 1_454 ?
SrOO OA1 T2Z 62.80(5) 5 1_454 ?
ODZ OA1 T2Z 0.72(5) 2 1_454 ?
OBZ OA1 T2Z 66.35(7) 2_655 1_454 ?
OCO OA1 T2Z 123.07(7) . 1_454 ?
OCZ OA1 T2Z 60.45(6) 2 1_454 ?
OA1 OA1 T2Z 86.97(8) 5 1_454 ?
T2O OA1 T2Z 127.26(4) 8_455 1_454 ?
OCO OA1 T2Z 121.64(5) 8 1_454 ?
OBZ OA1 T2Z 66.78(5) 7 1_454 ?
OBO OA1 T2Z 116.77(5) 8_455 1_454 ?
OCZ OA1 T2Z 57.42(4) 7_455 1_454 ?
T2Z OA1 T2Z 58.63(4) 7 1_454 ?
OBO OA1 T2Z 73.29(4) 5_655 1_454 ?
ODZ OA1 T2Z 126.80(5) 6 1_454 ?
ODO OA1 T2Z 49.51(4) 5 1_454 ?
T1O OA1 T2Z 69.47(4) 5 1_454 ?
T2O OA1 T2Z 111.92(6) 1_455 1_454 ?
T2O OA1 T2Z 175.38(4) 2_655 1_454 ?
T2Z OA1 T2Z 67.69(4) 2_655 1_454 ?
T1O OA1 OBZ 77.60(7) . 6_455 ?
T1Z OA1 OBZ 139.86(10) 2 6_455 ?
OBO OA1 OBZ 49.93(5) 1_455 6_455 ?
ODO OA1 OBZ 74.05(7) . 6_455 ?
SrOO OA1 OBZ 76.66(4) . 6_455 ?
SrOO OA1 OBZ 40.62(4) 5 6_455 ?
ODZ OA1 OBZ 101.49(7) 2 6_455 ?
OBZ OA1 OBZ 128.88(5) 2_655 6_455 ?
OCO OA1 OBZ 107.81(7) . 6_455 ?
OCZ OA1 OBZ 156.32(9) 2 6_455 ?
OA1 OA1 OBZ 38.50(5) 5 6_455 ?
T2O OA1 OBZ 121.74(6) 8_455 6_455 ?
OCO OA1 OBZ 122.82(7) 8 6_455 ?
OBZ OA1 OBZ 118.08(5) 7 6_455 ?
OBO OA1 OBZ 140.74(7) 8_455 6_455 ?
OCZ OA1 OBZ 79.12(5) 7_455 6_455 ?
T2Z OA1 OBZ 138.49(7) 7 6_455 ?
OBO OA1 OBZ 76.13(4) 5_655 6_455 ?
ODZ OA1 OBZ 40.81(4) 6 6_455 ?
ODO OA1 OBZ 62.58(4) 5 6_455 ?
T1O OA1 OBZ 57.50(3) 5 6_455 ?
T2O OA1 OBZ 49.12(3) 1_455 6_455 ?
T2O OA1 OBZ 73.43(4) 2_655 6_455 ?
T2Z OA1 OBZ 126.71(4) 2_655 6_455 ?
T2Z OA1 OBZ 102.04(5) 1_454 6_455 ?
T1O OA1 T1Z 88.48(7) . 6 ?
T1Z OA1 T1Z 133.77(7) 2 6 ?
OBO OA1 T1Z 70.21(6) 1_455 6 ?
ODO OA1 T1Z 70.14(6) . 6 ?
SrOO OA1 T1Z 53.78(3) . 6 ?
SrOO OA1 T1Z 54.48(3) 5 6 ?
ODZ OA1 T1Z 105.51(6) 2 6 ?
OBZ OA1 T1Z 108.62(6) 2_655 6 ?
OCO OA1 T1Z 120.45(7) . 6 ?
OCZ OA1 T1Z 165.06(8) 2 6 ?
OA1 OA1 T1Z 22.30(5) 5 6 ?
T2O OA1 T1Z 126.16(6) 8_455 6 ?
OCO OA1 T1Z 103.86(6) 8 6 ?
OBZ OA1 T1Z 141.00(6) 7 6 ?
OBO OA1 T1Z 134.13(7) 8_455 6 ?
OCZ OA1 T1Z 100.25(5) 7_455 6 ?
T2Z OA1 T1Z 158.50(7) 7 6 ?
OBO OA1 T1Z 57.22(3) 5_655 6 ?
ODZ OA1 T1Z 23.75(3) 6 6 ?
ODO OA1 T1Z 57.64(3) 5 6 ?
T1O OA1 T1Z 43.647(17) 5 6 ?
T2O OA1 T1Z 69.79(3) 1_455 6 ?
T2O OA1 T1Z 69.66(4) 2_655 6 ?
T2Z OA1 T1Z 106.18(4) 2_655 6 ?
T2Z OA1 T1Z 105.84(4) 1_454 6 ?
OBZ OA1 T1Z 23.22(3) 6_455 6 ?
T1O OA1 T1O 81.10(8) . 8 ?
T1Z OA1 T1O 76.76(7) 2 8 ?
OBO OA1 T1O 119.71(8) 1_455 8 ?
ODO OA1 T1O 67.04(7) . 8 ?
SrOO OA1 T1O 74.05(5) . 8 ?
SrOO OA1 T1O 174.85(6) 5 8 ?
ODZ OA1 T1O 117.07(7) 2 8 ?
OBZ OA1 T1O 61.03(6) 2_655 8 ?
OCO OA1 T1O 64.66(5) . 8 ?
OCZ OA1 T1O 64.60(5) 2 8 ?
OA1 OA1 T1O 124.90(10) 5 8 ?
T2O OA1 T1O 42.98(3) 8_455 8 ?
OCO OA1 T1O 19.90(3) 8 8 ?
OBZ OA1 T1O 92.59(4) 7 8 ?
OBO OA1 T1O 20.20(3) 8_455 8 ?
OCZ OA1 T1O 134.71(4) 7_455 8 ?
T2Z OA1 T1O 78.98(3) 7 8 ?
OBO OA1 T1O 99.21(5) 5_655 8 ?
ODZ OA1 T1O 99.67(6) 6 8 ?
ODO OA1 T1O 134.13(5) 5 8 ?
T1O OA1 T1O 120.94(5) 5 8 ?
T2O OA1 T1O 121.50(5) 1_455 8 ?
T2O OA1 T1O 67.69(4) 2_655 8 ?
T2Z OA1 T1O 61.35(3) 2_655 8 ?
T2Z OA1 T1O 116.41(4) 1_454 8 ?
OBZ OA1 T1O 138.33(7) 6_455 8 ?
T1Z OA1 T1O 122.51(6) 6 8 ?
T1O OA1 T1Z 77.26(7) . 7_455 ?
T1Z OA1 T1Z 79.03(7) 2 7_455 ?
OBO OA1 T1Z 62.15(6) 1_455 7_455 ?
ODO OA1 T1Z 115.77(7) . 7_455 ?
SrOO OA1 T1Z 172.73(6) . 7_455 ?
SrOO OA1 T1Z 71.48(5) 5 7_455 ?
ODZ OA1 T1Z 64.96(6) 2 7_455 ?
OBZ OA1 T1Z 118.62(8) 2_655 7_455 ?
OCO OA1 T1Z 63.97(6) . 7_455 ?
OCZ OA1 T1Z 62.50(5) 2 7_455 ?
OA1 OA1 T1Z 121.97(10) 5 7_455 ?
T2O OA1 T1Z 80.74(3) 8_455 7_455 ?
OCO OA1 T1Z 132.98(4) 8 7_455 ?
OBZ OA1 T1Z 21.83(3) 7 7_455 ?
OBO OA1 T1Z 94.39(4) 8_455 7_455 ?
OCZ OA1 T1Z 21.80(3) 7_455 7_455 ?
T2Z OA1 T1Z 42.86(3) 7 7_455 ?
OBO OA1 T1Z 135.52(7) 5_655 7_455 ?
ODZ OA1 T1Z 134.20(5) 6 7_455 ?
ODO OA1 T1Z 99.21(6) 5 7_455 ?
T1O OA1 T1Z 120.39(6) 5 7_455 ?
T2O OA1 T1Z 61.37(3) 1_455 7_455 ?
T2O OA1 T1Z 115.56(4) 2_655 7_455 ?
T2Z OA1 T1Z 121.08(5) 2_655 7_455 ?
T2Z OA1 T1Z 65.40(4) 1_454 7_455 ?
OBZ OA1 T1Z 96.55(5) 6_455 7_455 ?
T1Z OA1 T1Z 119.24(5) 6 7_455 ?
T1O OA1 T1Z 113.12(3) 8 7_455 ?
T1O OA1 OA2 97.72(10) . . ?
T1Z OA1 OA2 97.94(8) 2 . ?
OBO OA1 OA2 120.54(9) 1_455 . ?
ODO OA1 OA2 60.12(7) . . ?
SrOO OA1 OA2 19.64(4) . . ?
SrOO OA1 OA2 121.04(5) 5 . ?
ODZ OA1 OA2 120.19(7) 2 . ?
OBZ OA1 OA2 58.94(6) 2_655 . ?
OCO OA1 OA2 105.75(8) . . ?
OCZ OA1 OA2 108.82(7) 2 . ?
OA1 OA1 OA2 70.54(8) 5 . ?
T2O OA1 OA2 87.60(5) 8_455 . ?
OCO OA1 OA2 34.53(4) 8 . ?
OBZ OA1 OA2 146.57(6) 7 . ?
OBO OA1 OA2 73.05(5) 8_455 . ?
OCZ OA1 OA2 170.76(5) 7_455 . ?
T2Z OA1 OA2 127.90(5) 7 . ?
OBO OA1 OA2 54.56(4) 5_655 . ?
ODZ OA1 OA2 53.81(4) 6 . ?
ODO OA1 OA2 92.06(5) 5 . ?
T1O OA1 OA2 71.54(4) 5 . ?
T2O OA1 OA2 121.71(5) 1_455 . ?
T2O OA1 OA2 60.47(4) 2_655 . ?
T2Z OA1 OA2 56.75(3) 2_655 . ?
T2Z OA1 OA2 119.64(5) 1_454 . ?
OBZ OA1 OA2 93.55(5) 6_455 . ?
T1Z OA1 OA2 71.65(4) 6 . ?
T1O OA1 OA2 54.41(4) 8 . ?
T1Z OA1 OA2 167.44(5) 7_455 . ?
T1O OA1 OA2 96.51(9) . 5 ?
T1Z OA1 OA2 96.75(10) 2 5 ?
OBO OA1 OA2 58.61(7) 1_455 5 ?
ODO OA1 OA2 118.84(8) . 5 ?
SrOO OA1 OA2 119.48(5) . 5 ?
SrOO OA1 OA2 18.09(3) 5 5 ?
ODZ OA1 OA2 57.63(6) 2 5 ?
OBZ OA1 OA2 120.94(8) 2_655 5 ?
OCO OA1 OA2 106.53(7) . 5 ?
OCZ OA1 OA2 103.61(7) 2 5 ?
OA1 OA1 OA2 68.58(8) 5 5 ?
T2O OA1 OA2 127.92(5) 8_455 5 ?
OCO OA1 OA2 173.57(5) 8 5 ?
OBZ OA1 OA2 73.74(5) 7 5 ?
OBO OA1 OA2 147.43(6) 8_455 5 ?
OCZ OA1 OA2 31.69(4) 7_455 5 ?
T2Z OA1 OA2 87.97(5) 7 5 ?
OBO OA1 OA2 91.31(5) 5_655 5 ?
ODZ OA1 OA2 92.86(5) 6 5 ?
ODO OA1 OA2 54.10(4) 5 5 ?
T1O OA1 OA2 70.50(4) 5 5 ?
T2O OA1 OA2 56.77(3) 1_455 5 ?
T2O OA1 OA2 118.19(5) 2_655 5 ?
T2Z OA1 OA2 121.32(5) 2_655 5 ?
T2Z OA1 OA2 58.34(4) 1_454 5 ?
OBZ OA1 OA2 52.82(4) 6_455 5 ?
T1Z OA1 OA2 70.65(4) 6 5 ?
T1O OA1 OA2 166.33(5) 8 5 ?
T1Z OA1 OA2 53.40(4) 7_455 5 ?
OA2 OA1 OA2 139.12(3) . 5 ?
T1O OA1 OA2 140.73(11) . 5_655 ?
T1Z OA1 OA2 58.86(6) 2 5_655 ?
OBO OA1 OA2 157.61(7) 1_455 5_655 ?
ODO OA1 OA2 104.47(8) . 5_655 ?
SrOO OA1 OA2 45.67(4) . 5_655 ?
SrOO OA1 OA2 106.78(5) 5 5_655 ?
ODZ OA1 OA2 76.18(6) 2 5_655 ?
OBZ OA1 OA2 21.29(5) 2_655 5_655 ?
OCO OA1 OA2 132.88(8) . 5_655 ?
OCZ OA1 OA2 83.04(6) 2 5_655 ?
OA1 OA1 OA2 71.25(7) 5 5_655 ?
T2O OA1 OA2 111.30(5) 8_455 5_655 ?
OCO OA1 OA2 56.68(4) 8 5_655 ?
OBZ OA1 OA2 123.80(5) 7 5_655 ?
OBO OA1 OA2 87.02(5) 8_455 5_655 ?
OCZ OA1 OA2 132.81(6) 7_455 5_655 ?
T2Z OA1 OA2 101.06(5) 7 5_655 ?
OBO OA1 OA2 34.43(4) 5_655 5_655 ?
ODZ OA1 OA2 83.96(4) 6 5_655 ?
ODO OA1 OA2 65.80(4) 5 5_655 ?
T1O OA1 OA2 56.18(3) 5 5_655 ?
T2O OA1 OA2 157.46(5) 1_455 5_655 ?
T2O OA1 OA2 104.84(5) 2_655 5_655 ?
T2Z OA1 OA2 18.72(3) 2_655 5_655 ?
T2Z OA1 OA2 75.58(4) 1_454 5_655 ?
OBZ OA1 OA2 109.25(4) 6_455 5_655 ?
T1Z OA1 OA2 87.79(4) 6 5_655 ?
T1O OA1 OA2 68.36(4) 8 5_655 ?
T1Z OA1 OA2 136.88(5) 7_455 5_655 ?
OA2 OA1 OA2 44.42(3) . 5_655 ?
OA2 OA1 OA2 118.82(5) 5 5_655 ?
T1O OA1 OA2 58.14(7) . 1_455 ?
T1Z OA1 OA2 139.15(11) 2 1_455 ?
OBO OA1 OA2 21.19(5) 1_455 1_455 ?
ODO OA1 OA2 75.15(7) . 1_455 ?
SrOO OA1 OA2 105.57(5) . 1_455 ?
SrOO OA1 OA2 44.65(4) 5 1_455 ?
ODZ OA1 OA2 101.46(8) 2 1_455 ?
OBZ OA1 OA2 157.74(7) 2_655 1_455 ?
OCO OA1 OA2 81.98(6) . 1_455 ?
OCZ OA1 OA2 130.85(7) 2 1_455 ?
OA1 OA1 OA2 69.39(7) 5 1_455 ?
T2O OA1 OA2 101.19(5) 8_455 1_455 ?
OCO OA1 OA2 135.81(6) 8 1_455 ?
OBZ OA1 OA2 88.57(5) 7 1_455 ?
OBO OA1 OA2 125.94(5) 8_455 1_455 ?
OCZ OA1 OA2 56.47(4) 7_455 1_455 ?
T2Z OA1 OA2 111.18(5) 7 1_455 ?
OBO OA1 OA2 106.56(4) 5_655 1_455 ?
ODZ OA1 OA2 65.77(4) 6 1_455 ?
ODO OA1 OA2 82.75(4) 5 1_455 ?
T1O OA1 OA2 85.78(4) 5 1_455 ?
T2O OA1 OA2 19.77(3) 1_455 1_455 ?
T2O OA1 OA2 74.52(4) 2_655 1_455 ?
T2Z OA1 OA2 156.27(4) 2_655 1_455 ?
T2Z OA1 OA2 102.17(5) 1_454 1_455 ?
OBZ OA1 OA2 31.78(4) 6_455 1_455 ?
T1Z OA1 OA2 54.44(3) 6 1_455 ?
T1O OA1 OA2 138.40(5) 8 1_455 ?
T1Z OA1 OA2 68.48(4) 7_455 1_455 ?
OA2 OA1 OA2 118.87(5) . 1_455 ?
OA2 OA1 OA2 43.86(3) 5 1_455 ?
OA2 OA1 OA2 140.64(3) 5_655 1_455 ?
T1O OA1 OA2 55.90(8) . 2_655 ?
T1Z OA1 OA2 144.28(10) 2 2_655 ?
OBO OA1 OA2 72.87(7) 1_455 2_655 ?
ODO OA1 OA2 19.60(5) . 2_655 ?
SrOO OA1 OA2 47.79(4) . 2_655 ?
SrOO OA1 OA2 104.94(5) 5 2_655 ?
ODZ OA1 OA2 157.20(6) 2 2_655 ?
OBZ OA1 OA2 106.69(8) 2_655 2_655 ?
OCO OA1 OA2 79.52(7) . 2_655 ?
OCZ OA1 OA2 137.31(8) 2 2_655 ?
OA1 OA1 OA2 71.06(8) 5 2_655 ?
T2O OA1 OA2 74.66(5) 8_455 2_655 ?
OCO OA1 OA2 61.31(5) 8 2_655 ?
OBZ OA1 OA2 135.20(6) 7 2_655 ?
OBO OA1 OA2 80.24(6) 8_455 2_655 ?
OCZ OA1 OA2 131.07(6) 7_455 2_655 ?
T2Z OA1 OA2 143.58(5) 7 2_655 ?
OBO OA1 OA2 85.26(5) 5_655 2_655 ?
ODZ OA1 OA2 31.53(4) 6 2_655 ?
ODO OA1 OA2 108.23(5) 5 2_655 ?
T1O OA1 OA2 87.75(4) 5 2_655 ?
T2O OA1 OA2 74.15(4) 1_455 2_655 ?
T2O OA1 OA2 19.45(3) 2_655 2_655 ?
T2Z OA1 OA2 104.58(5) 2_655 2_655 ?
T2Z OA1 OA2 157.20(4) 1_454 2_655 ?
OBZ OA1 OA2 64.44(4) 6_455 2_655 ?
T1Z OA1 OA2 54.34(3) 6 2_655 ?
T1O OA1 OA2 73.94(4) 8 2_655 ?
T1Z OA1 OA2 131.58(5) 7_455 2_655 ?
OA2 OA1 OA2 47.87(4) . 2_655 ?
OA2 OA1 OA2 115.91(4) 5 2_655 ?
OA2 OA1 OA2 91.19(4) 5_655 2_655 ?
OA2 OA1 OA2 76.23(4) 1_455 2_655 ?
T1O OA1 OBZ 153.78(9) . 1_454 ?
T1Z OA1 OBZ 25.98(6) 2 1_454 ?
OBO OA1 OBZ 131.03(9) 1_455 1_454 ?
ODO OA1 OBZ 164.05(9) . 1_454 ?
SrOO OA1 OBZ 102.22(6) . 1_454 ?
SrOO OA1 OBZ 77.52(6) 5 1_454 ?
ODZ OA1 OBZ 18.22(5) 2 1_454 ?
OBZ OA1 OBZ 49.00(7) 2_655 1_454 ?
OCO OA1 OBZ 125.77(7) . 1_454 ?
OCZ OA1 OBZ 53.82(6) 2 1_454 ?
OA1 OA1 OBZ 89.75(8) 5 1_454 ?
T2O OA1 OBZ 122.01(4) 8_455 1_454 ?
OCO OA1 OBZ 104.25(5) 8 1_454 ?
OBZ OA1 OBZ 73.64(5) 7 1_454 ?
OBO OA1 OBZ 105.24(5) 8_455 1_454 ?
OCZ OA1 OBZ 73.72(5) 7_455 1_454 ?
T2Z OA1 OBZ 58.89(4) 7 1_454 ?
OBO OA1 OBZ 66.14(4) 5_655 1_454 ?
ODZ OA1 OBZ 127.29(5) 6 1_454 ?
ODO OA1 OBZ 53.94(4) 5 1_454 ?
T1O OA1 OBZ 69.34(4) 5 1_454 ?
T2O OA1 OBZ 129.35(6) 1_455 1_454 ?
T2O OA1 OBZ 164.55(6) 2_655 1_454 ?
T2Z OA1 OBZ 50.47(3) 2_655 1_454 ?
T2Z OA1 OBZ 17.51(3) 1_454 1_454 ?
OBZ OA1 OBZ 113.89(5) 6_455 1_454 ?
T1Z OA1 OBZ 111.30(4) 6 1_454 ?
T1O OA1 OBZ 100.87(4) 8 1_454 ?
T1Z OA1 OBZ 78.01(4) 7_455 1_454 ?
OA2 OA1 OBZ 104.65(5) . 1_454 ?
OA2 OA1 OBZ 75.36(4) 5 1_454 ?
OA2 OA1 OBZ 60.25(4) 5_655 1_454 ?
OA2 OA1 OBZ 119.18(5) 1_455 1_454 ?
OA2 OA1 OBZ 150.02(5) 2_655 1_454 ?
T1O OA1 OA2 142.38(11) . 6_455 ?
T1Z OA1 OA2 55.50(7) 2 6_455 ?
OBO OA1 OA2 105.97(8) 1_455 6_455 ?
ODO OA1 OA2 158.20(7) . 6_455 ?
SrOO OA1 OA2 104.61(5) . 6_455 ?
SrOO OA1 OA2 47.42(4) 5 6_455 ?
ODZ OA1 OA2 17.34(5) 2 6_455 ?
OBZ OA1 OA2 73.65(7) 2_655 6_455 ?
OCO OA1 OA2 134.96(8) . 6_455 ?
OCZ OA1 OA2 78.18(7) 2 6_455 ?
OA1 OA1 OA2 70.30(8) 5 6_455 ?
T2O OA1 OA2 143.97(5) 8_455 6_455 ?
OCO OA1 OA2 130.50(5) 8 6_455 ?
OBZ OA1 OA2 79.12(6) 7 6_455 ?
OBO OA1 OA2 134.16(6) 8_455 6_455 ?
OCZ OA1 OA2 57.57(4) 7_455 6_455 ?
T2Z OA1 OA2 75.07(5) 7 6_455 ?
OBO OA1 OA2 63.85(4) 5_655 6_455 ?
ODZ OA1 OA2 109.96(5) 6 6_455 ?
ODO OA1 OA2 33.34(4) 5 6_455 ?
T1O OA1 OA2 54.84(4) 5 6_455 ?
T2O OA1 OA2 104.13(5) 1_455 6_455 ?
T2O OA1 OA2 157.67(4) 2_655 6_455 ?
T2Z OA1 OA2 74.28(4) 2_655 6_455 ?
T2Z OA1 OA2 17.73(3) 1_454 6_455 ?
OBZ OA1 OA2 84.99(5) 6_455 6_455 ?
T1Z OA1 OA2 88.24(4) 6 6_455 ?
T1O OA1 OA2 130.78(5) 8 6_455 ?
T1Z OA1 OA2 71.88(4) 7_455 6_455 ?
OA2 OA1 OA2 116.60(4) . 6_455 ?
OA2 OA1 OA2 47.46(4) 5 6_455 ?
OA2 OA1 OA2 76.53(4) 5_655 6_455 ?
OA2 OA1 OA2 90.26(4) 1_455 6_455 ?
OA2 OA1 OA2 141.35(3) 2_655 6_455 ?
OBZ OA1 OA2 30.11(3) 1_454 6_455 ?
T2Z OA2 T2O 127.70(8) 6 . ?
T2Z OA2 SrOO 115.04(9) 6 . ?
T2O OA2 SrOO 116.96(9) . . ?
T2Z OA2 OA1 136.24(8) 6 . ?
T2O OA2 OA1 95.76(7) . . ?
SrOO OA2 OA1 21.23(3) . . ?
T2Z OA2 OA1 95.44(7) 6 5 ?
T2O OA2 OA1 136.61(8) . 5 ?
SrOO OA2 OA1 19.65(3) . 5 ?
OA1 OA2 OA1 40.88(3) . 5 ?
T2Z OA2 OA1 57.29(5) 6 5_655 ?
T2O OA2 OA1 92.26(5) . 5_655 ?
SrOO OA2 OA1 129.62(6) . 5_655 ?
OA1 OA2 OA1 135.58(3) . 5_655 ?
OA1 OA2 OA1 118.82(5) 5 5_655 ?
T2Z OA2 OA1 93.58(6) 6 1_655 ?
T2O OA2 OA1 55.49(5) . 1_655 ?
SrOO OA2 OA1 130.61(6) . 1_655 ?
OA1 OA2 OA1 118.87(5) . 1_655 ?
OA1 OA2 OA1 136.14(3) 5 1_655 ?
OA1 OA2 OA1 39.36(3) 5_655 1_655 ?
T2Z OA2 OA1 89.99(6) 6 2_655 ?
T2O OA2 OA1 54.58(5) . 2_655 ?
SrOO OA2 OA1 126.13(5) . 2_655 ?
OA1 OA2 OA1 115.94(5) . 2_655 ?
OA1 OA2 OA1 131.85(5) 5 2_655 ?
OA1 OA2 OA1 104.21(5) 5_655 2_655 ?
OA1 OA2 OA1 90.89(4) 1_655 2_655 ?
T2Z OA2 OA1 53.18(5) 6 6_656 ?
T2O OA2 OA1 90.51(6) . 6_656 ?
SrOO OA2 OA1 126.35(5) . 6_656 ?
OA1 OA2 OA1 132.83(5) . 6_656 ?
OA1 OA2 OA1 116.58(5) 5 6_656 ?
OA1 OA2 OA1 90.56(4) 5_655 6_656 ?
OA1 OA2 OA1 103.03(5) 1_655 6_656 ?
OA1 OA2 OA1 38.65(3) 2_655 6_656 ?
T2Z OA2 OA1 40.24(6) 6 4_544 ?
T2O OA2 OA1 154.85(7) . 4_544 ?
SrOO OA2 OA1 81.86(5) . 4_544 ?
OA1 OA2 OA1 101.72(3) . 4_544 ?
OA1 OA2 OA1 63.37(3) 5 4_544 ?
OA1 OA2 OA1 62.61(3) 5_655 4_544 ?
OA1 OA2 OA1 99.86(3) 1_655 4_544 ?
OA1 OA2 OA1 129.19(5) 2_655 4_544 ?
OA1 OA2 OA1 90.72(5) 6_656 4_544 ?
T2Z OA2 OA1 155.81(7) 6 8 ?
T2O OA2 OA1 39.23(6) . 8 ?
SrOO OA2 OA1 83.79(6) . 8 ?
OA1 OA2 OA1 63.76(3) . 8 ?
OA1 OA2 OA1 102.23(3) 5 8 ?
OA1 OA2 OA1 99.30(3) 5_655 8 ?
OA1 OA2 OA1 62.23(3) 1_655 8 ?
OA1 OA2 OA1 90.39(5) 2_655 8 ?
OA1 OA2 OA1 128.62(5) 6_656 8 ?
OA1 OA2 OA1 138.31(3) 4_544 8 ?
T1O OBO T2O 144.96(14) 1_655 . ?
T1O OBO OA1 39.50(7) 1_655 1_655 ?
T2O OBO OA1 175.46(13) . 1_655 ?
T1O OBO SrOO 99.35(8) 1_655 5_655 ?
T2O OBO SrOO 115.57(9) . 5_655 ?
OA1 OBO SrOO 60.08(6) 1_655 5_655 ?
T1O OBO OA1 100.21(9) 1_655 8 ?
T2O OBO OA1 75.30(8) . 8 ?
OA1 OBO OA1 104.00(8) 1_655 8 ?
SrOO OBO OA1 103.58(7) 5_655 8 ?
T1O OBO OA1 81.68(8) 1_655 5_655 ?
T2O OBO OA1 123.92(9) . 5_655 ?
OA1 OBO OA1 53.94(6) 1_655 5_655 ?
SrOO OBO OA1 38.76(4) 5_655 5_655 ?
OA1 OBO OA1 140.89(5) 8 5_655 ?
T1O OBO OA1 99.16(9) 1_655 2_655 ?
T2O OBO OA1 50.33(7) . 2_655 ?
OA1 OBO OA1 133.81(8) 1_655 2_655 ?
SrOO OBO OA1 144.03(6) 5_655 2_655 ?
OA1 OBO OA1 103.12(5) 8 2_655 ?
OA1 OBO OA1 115.23(6) 5_655 2_655 ?
T2Z OBZ T1Z 146.05(14) . 1_655 ?
T2Z OBZ OA1 173.07(12) . 2_655 ?
T1Z OBZ OA1 40.32(7) 1_655 2_655 ?
T2Z OBZ SrOO 116.56(10) . 2_655 ?
T1Z OBZ SrOO 96.52(8) 1_655 2_655 ?
OA1 OBZ SrOO 56.65(6) 2_655 2_655 ?
T2Z OBZ OA1 80.50(8) . 7 ?
T1Z OBZ OA1 99.31(8) 1_655 7 ?
OA1 OBZ OA1 102.08(7) 2_655 7 ?
SrOO OBZ OA1 104.50(7) 2_655 7 ?
T2Z OBZ OA1 123.05(9) . 6_656 ?
T1Z OBZ OA1 78.84(7) 1_655 6_656 ?
OA1 OBZ OA1 51.12(5) 2_655 6_656 ?
SrOO OBZ OA1 37.01(4) 2_655 6_656 ?
OA1 OBZ OA1 139.24(5) 7 6_656 ?
T2Z OBZ OA1 53.13(7) . 1_656 ?
T1Z OBZ OA1 95.57(8) 1_655 1_656 ?
OA1 OBZ OA1 130.99(7) 2_655 1_656 ?
SrOO OBZ OA1 144.41(6) 2_655 1_656 ?
OA1 OBZ OA1 106.36(5) 7 1_656 ?
OA1 OBZ OA1 114.37(6) 6_656 1_656 ?
T1O OCO T2O 129.50(13) . 8_455 ?
T1O OCO OA1 32.88(7) . . ?
T2O OCO OA1 122.74(10) 8_455 . ?
T1O OCO SrOO 143.64(11) . 8_455 ?
T2O OCO SrOO 86.86(8) 8_455 8_455 ?
OA1 OCO SrOO 131.94(9) . 8_455 ?
T1O OCO OA1 102.46(9) . 8_455 ?
T2O OCO OA1 128.00(9) 8_455 8_455 ?
OA1 OCO OA1 101.19(9) . 8_455 ?
SrOO OCO OA1 41.24(3) 8_455 8_455 ?
T1O OCO OA1 99.10(8) . 8 ?
T2O OCO OA1 49.77(6) 8_455 8 ?
OA1 OCO OA1 76.38(6) . 8 ?
SrOO OCO OA1 106.73(5) 8_455 8 ?
OA1 OCO OA1 133.02(7) 8_455 8 ?
T1O OCO OA1 104.36(9) . 7 ?
T2O OCO OA1 46.02(6) 8_455 7 ?
OA1 OCO OA1 125.48(7) . 7 ?
SrOO OCO OA1 102.48(5) 8_455 7 ?
OA1 OCO OA1 126.77(5) 8_455 7 ?
OA1 OCO OA1 86.25(4) 8 7 ?
T2Z OCZ T1Z 132.06(13) 8_455 . ?
T2Z OCZ OA1 122.28(10) 8_455 2 ?
T1Z OCZ OA1 32.38(6) . 2 ?
T2Z OCZ SrOO 89.32(8) 8_455 3_455 ?
T1Z OCZ SrOO 138.10(10) . 3_455 ?
OA1 OCZ SrOO 126.07(8) 2 3_455 ?
T2Z OCZ OA1 130.21(9) 8_455 7_455 ?
T1Z OCZ OA1 97.49(8) . 7_455 ?
OA1 OCZ OA1 95.91(8) 2 7_455 ?
SrOO OCZ OA1 40.89(3) 3_455 7_455 ?
T2Z OCZ OA1 49.23(6) 8_455 7 ?
T1Z OCZ OA1 98.29(7) . 7 ?
OA1 OCZ OA1 75.22(6) 2 7 ?
SrOO OCZ OA1 107.57(5) 3_455 7 ?
OA1 OCZ OA1 131.41(7) 7_455 7 ?
T2Z OCZ OA1 49.54(7) 8_455 8_556 ?
T1Z OCZ OA1 105.00(9) . 8_556 ?
OA1 OCZ OA1 125.25(7) 2 8_556 ?
SrOO OCZ OA1 108.61(5) 3_455 8_556 ?
OA1 OCZ OA1 131.70(5) 7_455 8_556 ?
OA1 OCZ OA1 87.12(4) 7 8_556 ?
T1O ODO T2O 140.26(13) . 2_655 ?
T1O ODO OA1 39.21(7) . . ?
T2O ODO OA1 178.39(13) 2_655 . ?
T1O ODO SrOO 97.99(9) . . ?
T2O ODO SrOO 121.24(10) 2_655 . ?
OA1 ODO SrOO 59.05(6) . . ?
T1O ODO OA1 80.48(9) . 5 ?
T2O ODO OA1 125.73(10) 2_655 5 ?
OA1 ODO OA1 53.32(6) . 5 ?
SrOO ODO OA1 38.68(4) . 5 ?
T1O ODO OA1 111.84(9) . 7 ?
T2O ODO OA1 40.95(6) 2_655 7 ?
OA1 ODO OA1 140.07(7) . 7 ?
SrOO ODO OA1 138.93(7) . 7 ?
OA1 ODO OA1 166.47(7) 5 7 ?
T1O ODO OA1 96.87(8) . 2 ?
T2O ODO OA1 47.70(7) 2_655 2 ?
OA1 ODO OA1 131.00(7) . 2 ?
SrOO ODO OA1 144.17(6) . 2 ?
OA1 ODO OA1 113.41(5) 5 2 ?
OA1 ODO OA1 61.04(4) 7 2 ?
T1O ODO OA1 82.91(7) . 8 ?
T2O ODO OA1 113.06(9) 2_655 8 ?
OA1 ODO OA1 68.55(6) . 8 ?
SrOO ODO OA1 72.44(4) . 8 ?
OA1 ODO OA1 104.14(4) 5 8 ?
OA1 ODO OA1 83.58(5) 7 8 ?
OA1 ODO OA1 141.93(4) 2 8 ?
T2Z ODZ T1Z 137.70(13) 2_656 . ?
T2Z ODZ OA1 178.10(12) 2_656 2 ?
T1Z ODZ OA1 40.56(6) . 2 ?
T2Z ODZ SrOO 123.13(10) 2_656 6_556 ?
T1Z ODZ SrOO 99.00(9) . 6_556 ?
OA1 ODZ SrOO 58.54(6) 2 6_556 ?
T2Z ODZ OA1 127.08(10) 2_656 6_556 ?
T1Z ODZ OA1 82.93(8) . 6_556 ?
OA1 ODZ OA1 53.38(6) 2 6_556 ?
SrOO ODZ OA1 38.35(4) 6_556 6_556 ?
T2Z ODZ OA1 42.66(7) 2_656 8_556 ?
T1Z ODZ OA1 107.03(8) . 8_556 ?
OA1 ODZ OA1 136.98(7) 2 8_556 ?
SrOO ODZ OA1 139.59(6) 6_556 8_556 ?
OA1 ODZ OA1 169.41(7) 6_556 8_556 ?
T2Z ODZ OA1 49.94(7) 2_656 1_556 ?
T1Z ODZ OA1 92.62(7) . 1_556 ?
OA1 ODZ OA1 128.18(7) 2 1_556 ?
SrOO ODZ OA1 148.02(6) 6_556 1_556 ?
OA1 ODZ OA1 115.28(5) 6_556 1_556 ?
OA1 ODZ OA1 61.71(4) 8_556 1_556 ?
T2Z ODZ OA1 113.36(9) 2_656 7 ?
T1Z ODZ OA1 82.12(7) . 7 ?
OA1 ODZ OA1 67.83(5) 2 7 ?
SrOO ODZ OA1 70.52(4) 6_556 7 ?
OA1 ODZ OA1 102.45(4) 6_556 7 ?
OA1 ODZ OA1 82.86(5) 8_556 7 ?
OA1 ODZ OA1 140.99(4) 1_556 7 ?
 
_diffrn_measured_fraction_theta_max    0.916
_diffrn_reflns_theta_full              33.91
_diffrn_measured_fraction_theta_full   0.916
_refine_diff_density_max    0.469
_refine_diff_density_min   -0.433
_refine_diff_density_rms    0.092
