 
data_definit
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'Al Na O8 Si3'
_chemical_formula_weight          262.24
 
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'
 'Na'  'Na'   0.0362   0.0249
 '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+1/2, y+1/2, z'
 '-x, -y, -z'
 '-x+1/2, -y+1/2, -z'
 
_cell_length_a                    8.0813(17)
_cell_length_b                    12.8061(8)
_cell_length_c                    7.073(2)
_cell_angle_alpha                 93.549(17)
_cell_angle_beta                  116.55(3)
_cell_angle_gamma                 90.337(12)
_cell_volume                      653.1(2)
_cell_formula_units_Z             4
_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     2.667
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              520
_exptl_absorpt_coefficient_mu     0.940
_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             2677
_diffrn_reflns_av_R_equivalents   0.0839
_diffrn_reflns_av_sigmaI/netI     0.0519
_diffrn_reflns_limit_h_min        -11
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        -18
_diffrn_reflns_limit_k_max        18
_diffrn_reflns_limit_l_min        -7
_diffrn_reflns_limit_l_max        6
_diffrn_reflns_theta_min          3.19
_diffrn_reflns_theta_max          31.61
_reflns_number_total              690
_reflns_number_gt                 520
_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 F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ 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/[\s^2^(Fo^2^)+(0.1607P)^2^+9.9163P] where P=(Fo^2^+2Fc^2^)/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      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          690
_refine_ls_number_parameters      58
_refine_ls_number_restraints      16
_refine_ls_R_factor_all           0.1122
_refine_ls_R_factor_gt            0.0762
_refine_ls_wR_factor_ref          0.2893
_refine_ls_wR_factor_gt           0.2140
_refine_ls_goodness_of_fit_ref    1.191
_refine_ls_restrained_S_all       1.185
_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
Na1 Na 0.2695(14) 1.0086(8) 0.126(4) 0.082(14) Uani 1 1 d . . .
T1O Si 0.0084(5) 0.16345(19) 0.2146(12) 0.0148(7) Uiso 0.98 1 d PD . .
T1M Si 0.0044(5) 0.81446(19) 0.2311(13) 0.0153(7) Uiso 0.98 1 d PD . .
T2O Si 0.6884(5) 0.10707(18) 0.3199(12) 0.0141(7) Uiso 0.98 1 d PD . .
T2M Si 0.6796(6) 0.87729(18) 0.3498(13) 0.0149(7) Uiso 0.98 1 d PD . .
OA1 O 0.0032(13) 0.1336(5) 0.981(2) 0.0226(17) Uiso 1 1 d . . .
OA2 O 0.5864(14) 0.9909(5) 0.282(3) 0.0197(16) Uiso 1 1 d D . .
OBO O 0.8231(16) 0.1037(5) 0.204(3) 0.0225(17) Uiso 1 1 d D . .
OBM O 0.8087(15) 0.8467(5) 0.227(3) 0.0214(17) Uiso 1 1 d D . .
OCO O 0.0133(14) 0.2884(5) 0.285(3) 0.0166(15) Uiso 1 1 d D . .
OCM O 0.0179(15) 0.6867(5) 0.214(4) 0.0236(17) Uiso 1 1 d D . .
ODO O 0.1990(13) 0.1120(6) 0.387(2) 0.0267(18) Uiso 1 1 d D . .
ODM O 0.1864(13) 0.8670(6) 0.420(2) 0.0255(18) Uiso 1 1 d D . .
 
loop_
 _atom_site_aniso_label
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_23
 _atom_site_aniso_U_13
 _atom_site_aniso_U_12
Na1 0.010(7) 0.132(8) 0.06(4) -0.088(13) -0.008(16) 0.002(5)
 
_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
Na1 OA2 2.311(15) . ?
Na1 OBO 2.46(3) 3_665 ?
Na1 ODO 2.476(19) 1_565 ?
Na1 OA1 2.553(16) 1_564 ?
Na1 OA1 2.653(12) 3_566 ?
Na1 OCM 2.877(12) 2 ?
Na1 OBM 3.04(3) 3_675 ?
Na1 ODM 3.13(3) . ?
Na1 T1O 3.141(7) 1_565 ?
Na1 T1O 3.184(13) 3_565 ?
Na1 T2O 3.243(9) 1_565 ?
Na1 OCO 3.402(18) 2 ?
Na1 T2M 3.468(13) . ?
Na1 T1M 3.49(2) 3_575 ?
Na1 T2O 3.553(19) 3_665 ?
Na1 T1M 3.594(15) . ?
Na1 T2M 3.75(2) 3_676 ?
Na1 Na1 3.898(18) 3_575 ?
Na1 T2M 3.93(3) 3_675 ?
Na1 T2O 4.15(3) 3_666 ?
Na1 Na1 4.79(2) 3_675 ?
Na1 T1O 4.797(12) 2 ?
Na1 Na1 4.95(5) 3_676 ?
T1O OCO 1.641(7) . ?
T1O OBO 1.647(7) 1_455 ?
T1O ODO 1.650(12) . ?
T1O OA1 1.657(14) 1_554 ?
T1O T2M 2.963(4) 2_445 ?
T1O T2M 3.065(10) 3_666 ?
T1O T2O 3.087(5) 1_455 ?
T1O T1M 3.138(11) 3_565 ?
T1O Na1 3.141(7) 1_545 ?
T1O Na1 3.184(13) 3_565 ?
T1O OBM 3.335(7) 2_445 ?
T1O T1M 3.961(10) 3_566 ?
T1O T1O 4.600(12) 4_556 ?
T1O T1O 4.602(11) 4_455 ?
T1O T2O 4.638(9) 4 ?
T1O Na1 4.797(12) 2_445 ?
T1O T2O 4.811(8) 3_656 ?
T1O T1O 4.981(8) 3 ?
T1O T2O 5.054(7) 4_556 ?
T1M ODM 1.589(12) . ?
T1M OBM 1.626(7) 1_455 ?
T1M OCM 1.641(7) . ?
T1M OA1 1.652(14) 3_566 ?
T1M T2O 3.013(5) 2_455 ?
T1M T2O 3.129(9) 3_666 ?
T1M T1O 3.138(11) 3_565 ?
T1M Na1 3.49(2) 3_575 ?
T1M T1O 3.961(10) 3_566 ?
T2O OBO 1.630(12) . ?
T2O OCM 1.640(12) 2_545 ?
T2O OA2 1.644(7) 1_545 ?
T2O ODM 1.664(15) 3_666 ?
T2O T2M 2.966(4) 1_545 ?
T2O T1M 3.013(5) 2_545 ?
T2O T1O 3.087(5) 1_655 ?
T2O T1M 3.129(9) 3_666 ?
T2O Na1 3.243(9) 1_545 ?
T2O ODM 3.361(8) 2_545 ?
T2O Na1 3.553(19) 3_665 ?
T2O Na1 4.15(3) 3_666 ?
T2O T2O 4.173(8) 4_656 ?
T2O T1O 4.638(9) 4 ?
T2O T1O 4.811(8) 3_656 ?
T2O T2O 4.829(12) 3_655 ?
T2O T1O 5.054(7) 4_556 ?
T2M OCO 1.636(7) 2 ?
T2M OA2 1.640(10) . ?
T2M OBM 1.663(11) . ?
T2M ODO 1.670(15) 3_666 ?
T2M T1O 2.963(4) 2 ?
T2M T2O 2.966(4) 1_565 ?
T2M T1O 3.065(10) 3_666 ?
T2M Na1 3.75(2) 3_676 ?
T2M Na1 3.93(3) 3_675 ?
OA1 T1M 1.652(14) 3_566 ?
OA1 T1O 1.657(14) 1_556 ?
OA1 Na1 2.553(16) 1_546 ?
OA1 Na1 2.653(12) 3_566 ?
OA2 T2O 1.644(7) 1_565 ?
OBO T1O 1.647(7) 1_655 ?
OBO Na1 2.46(3) 3_665 ?
OBM T1M 1.626(7) 1_655 ?
OBM Na1 3.04(3) 3_675 ?
OBM T1O 3.335(7) 2 ?
OCO T2M 1.636(7) 2_445 ?
OCO Na1 3.402(18) 2_445 ?
OCM T2O 1.640(12) 2_455 ?
OCM Na1 2.877(12) 2_445 ?
ODO T2M 1.670(15) 3_666 ?
ODO Na1 2.476(19) 1_545 ?
ODM T2O 1.664(15) 3_666 ?
ODM T2O 3.361(8) 2_455 ?
 
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 Na1 OBO 100.6(5) . 3_665 ?
OA2 Na1 ODO 106.6(9) . 1_565 ?
OBO Na1 ODO 152.2(5) 3_665 1_565 ?
OA2 Na1 OA1 146.5(6) . 1_564 ?
OBO Na1 OA1 96.9(9) 3_665 1_564 ?
ODO Na1 OA1 62.8(4) 1_565 1_564 ?
OA2 Na1 OA1 130.4(6) . 3_566 ?
OBO Na1 OA1 61.6(4) 3_665 3_566 ?
ODO Na1 OA1 95.5(5) 1_565 3_566 ?
OA1 Na1 OA1 83.0(4) 1_564 3_566 ?
OA2 Na1 OCM 58.9(3) . 2 ?
OBO Na1 OCM 119.8(9) 3_665 2 ?
ODO Na1 OCM 80.2(5) 1_565 2 ?
OA1 Na1 OCM 87.6(5) 1_564 2 ?
OA1 Na1 OCM 170.6(6) 3_566 2 ?
OA2 Na1 OBM 105.0(7) . 3_675 ?
OBO Na1 OBM 73.1(8) 3_665 3_675 ?
ODO Na1 OBM 104.6(5) 1_565 3_675 ?
OA1 Na1 OBM 53.7(5) 1_564 3_675 ?
OA1 Na1 OBM 111.5(8) 3_566 3_675 ?
OCM Na1 OBM 62.1(6) 2 3_675 ?
OA2 Na1 ODM 97.0(9) . . ?
OBO Na1 ODM 103.8(5) 3_665 . ?
ODO Na1 ODM 67.6(6) 1_565 . ?
OA1 Na1 ODM 106.3(5) 1_564 . ?
OA1 Na1 ODM 51.5(5) 3_566 . ?
OCM Na1 ODM 132.4(9) 2 . ?
OBM Na1 ODM 158.0(4) 3_675 . ?
OA2 Na1 T1O 133.5(7) . 1_565 ?
OBO Na1 T1O 124.6(7) 3_665 1_565 ?
ODO Na1 T1O 31.4(3) 1_565 1_565 ?
OA1 Na1 T1O 31.8(3) 1_564 1_565 ?
OA1 Na1 T1O 85.6(2) 3_566 1_565 ?
OCM Na1 T1O 86.5(3) 2 1_565 ?
OBM Na1 T1O 80.8(4) 3_675 1_565 ?
ODM Na1 T1O 83.7(4) . 1_565 ?
OA2 Na1 T1O 122.0(4) . 3_565 ?
OBO Na1 T1O 30.7(2) 3_665 3_565 ?
ODO Na1 T1O 123.7(4) 1_565 3_565 ?
OA1 Na1 T1O 86.3(5) 1_564 3_565 ?
OA1 Na1 T1O 31.3(3) 3_566 3_565 ?
OCM Na1 T1O 148.0(10) 2 3_565 ?
OBM Na1 T1O 89.4(7) 3_675 3_565 ?
ODM Na1 T1O 79.4(4) . 3_565 ?
T1O Na1 T1O 103.9(3) 1_565 3_565 ?
OA2 Na1 T2O 28.6(2) . 1_565 ?
OBO Na1 T2O 113.8(5) 3_665 1_565 ?
ODO Na1 T2O 93.2(5) 1_565 1_565 ?
OA1 Na1 T2O 117.9(4) 1_564 1_565 ?
OA1 Na1 T2O 159.0(6) 3_566 1_565 ?
OCM Na1 T2O 30.3(2) 2 1_565 ?
OBM Na1 T2O 84.5(5) 3_675 1_565 ?
ODM Na1 T2O 115.7(7) . 1_565 ?
T1O Na1 T2O 111.1(3) 1_565 1_565 ?
T1O Na1 T2O 142.9(4) 3_565 1_565 ?
OA2 Na1 OCO 51.2(4) . 2 ?
OBO Na1 OCO 75.6(5) 3_665 2 ?
ODO Na1 OCO 117.7(10) 1_565 2 ?
OA1 Na1 OCO 162.2(4) 1_564 2 ?
OA1 Na1 OCO 79.2(4) 3_566 2 ?
OCM Na1 OCO 110.2(4) 2 2 ?
OBM Na1 OCO 135.4(6) 3_675 2 ?
ODM Na1 OCO 61.1(5) . 2 ?
T1O Na1 OCO 143.8(9) 1_565 2 ?
T1O Na1 OCO 79.1(3) 3_565 2 ?
T2O Na1 OCO 79.9(3) 1_565 2 ?
OA2 Na1 T2M 23.7(3) . . ?
OBO Na1 T2M 89.0(4) 3_665 . ?
ODO Na1 T2M 114.0(8) 1_565 . ?
OA1 Na1 T2M 170.2(4) 1_564 . ?
OA1 Na1 T2M 106.7(5) 3_566 . ?
OCM Na1 T2M 82.6(3) 2 . ?
OBM Na1 T2M 121.5(4) 3_675 . ?
ODM Na1 T2M 79.7(5) . . ?
T1O Na1 T2M 145.3(8) 1_565 . ?
T1O Na1 T2M 102.6(2) 3_565 . ?
T2O Na1 T2M 52.33(17) 1_565 . ?
OCO Na1 T2M 27.54(17) 2 . ?
OA2 Na1 T1M 130.3(7) . 3_575 ?
OBO Na1 T1M 81.8(8) 3_665 3_575 ?
ODO Na1 T1M 84.9(4) 1_565 3_575 ?
OA1 Na1 T1M 26.3(4) 1_564 3_575 ?
OA1 Na1 T1M 94.7(5) 3_566 3_575 ?
OCM Na1 T1M 76.7(5) 2 3_575 ?
OBM Na1 T1M 27.8(2) 3_675 3_575 ?
ODM Na1 T1M 131.0(3) . 3_575 ?
T1O Na1 T1M 56.2(3) 1_565 3_575 ?
T1O Na1 T1M 84.2(5) 3_565 3_575 ?
T2O Na1 T1M 105.1(5) 1_565 3_575 ?
OCO Na1 T1M 156.9(7) 2 3_575 ?
T2M Na1 T1M 149.2(5) . 3_575 ?
OA2 Na1 T2O 81.3(5) . 3_665 ?
OBO Na1 T2O 23.6(2) 3_665 3_665 ?
ODO Na1 T2O 168.9(9) 1_565 3_665 ?
OA1 Na1 T2O 106.3(8) 1_564 3_665 ?
OA1 Na1 T2O 84.6(5) 3_566 3_665 ?
OCM Na1 T2O 97.9(6) 2 3_665 ?
OBM Na1 T2O 65.3(5) 3_675 3_665 ?
ODM Na1 T2O 119.9(3) . 3_665 ?
T1O Na1 T2O 137.9(8) 1_565 3_665 ?
T1O Na1 T2O 54.2(3) 3_565 3_665 ?
T2O Na1 T2O 90.4(3) 1_565 3_665 ?
OCO Na1 T2O 73.3(4) 2 3_665 ?
T2M Na1 T2O 76.4(2) . 3_665 ?
T1M Na1 T2O 84.0(6) 3_575 3_665 ?
OA2 Na1 T1M 116.3(8) . . ?
OBO Na1 T1M 82.6(4) 3_665 . ?
ODO Na1 T1M 80.3(5) 1_565 . ?
OA1 Na1 T1M 94.0(3) 1_564 . ?
OA1 Na1 T1M 25.4(4) 3_566 . ?
OCM Na1 T1M 157.2(9) 2 . ?
OBM Na1 T1M 135.2(5) 3_675 . ?
ODM Na1 T1M 26.2(3) . . ?
T1O Na1 T1M 83.1(3) 1_565 . ?
T1O Na1 T1M 54.7(2) 3_565 . ?
T2O Na1 T1M 140.2(8) 1_565 . ?
OCO Na1 T1M 69.2(3) 2 . ?
T2M Na1 T1M 94.5(5) . . ?
T1M Na1 T1M 113.2(3) 3_575 . ?
T2O Na1 T1M 103.4(3) 3_665 . ?
OA2 Na1 T2M 87.9(8) . 3_676 ?
OBO Na1 T2M 163.2(6) 3_665 3_676 ?
ODO Na1 T2M 20.5(4) 1_565 3_676 ?
OA1 Na1 T2M 83.1(4) 1_564 3_676 ?
OA1 Na1 T2M 101.9(6) 3_566 3_676 ?
OCM Na1 T2M 77.0(5) 2 3_676 ?
OBM Na1 T2M 118.9(4) 3_675 3_676 ?
ODM Na1 T2M 60.5(5) . 3_676 ?
T1O Na1 T2M 51.9(3) 1_565 3_676 ?
T1O Na1 T2M 133.1(5) 3_565 3_676 ?
T2O Na1 T2M 80.4(4) 1_565 3_676 ?
OCO Na1 T2M 99.4(7) 2 3_676 ?
T2M Na1 T2M 93.4(5) . 3_676 ?
T1M Na1 T2M 103.7(2) 3_575 3_676 ?
T2O Na1 T2M 169.2(4) 3_665 3_676 ?
T1M Na1 T2M 80.6(5) . 3_676 ?
OA2 Na1 Na1 170.9(8) . 3_575 ?
OBO Na1 Na1 75.8(6) 3_665 3_575 ?
ODO Na1 Na1 76.5(4) 1_565 3_575 ?
OA1 Na1 Na1 42.5(3) 1_564 3_575 ?
OA1 Na1 Na1 40.5(3) 3_566 3_575 ?
OCM Na1 Na1 130.1(7) 2 3_575 ?
OBM Na1 Na1 82.1(8) 3_675 3_575 ?
ODM Na1 Na1 76.1(5) . 3_575 ?
T1O Na1 Na1 52.45(16) 1_565 3_575 ?
T1O Na1 Na1 51.4(3) 3_565 3_575 ?
T2O Na1 Na1 160.3(6) 1_565 3_575 ?
OCO Na1 Na1 119.7(5) 2 3_575 ?
T2M Na1 Na1 147.2(6) . 3_575 ?
T1M Na1 Na1 57.9(5) 3_575 3_575 ?
T2O Na1 Na1 96.9(7) 3_665 3_575 ?
T1M Na1 Na1 55.3(4) . 3_575 ?
T2M Na1 Na1 93.6(5) 3_676 3_575 ?
OA2 Na1 T2M 87.0(7) . 3_675 ?
OBO Na1 T2M 61.3(6) 3_665 3_675 ?
ODO Na1 T2M 125.1(6) 1_565 3_675 ?
OA1 Na1 T2M 76.7(6) 1_564 3_675 ?
OA1 Na1 T2M 115.6(8) 3_566 3_675 ?
OCM Na1 T2M 61.7(6) 2 3_675 ?
OBM Na1 T2M 23.4(2) 3_675 3_675 ?
ODM Na1 T2M 165.1(5) . 3_675 ?
T1O Na1 T2M 104.1(5) 1_565 3_675 ?
T1O Na1 T2M 86.3(6) 3_565 3_675 ?
T2O Na1 T2M 73.8(4) 1_565 3_675 ?
OCO Na1 T2M 112.1(4) 2 3_675 ?
T2M Na1 T2M 99.5(3) . 3_675 ?
T1M Na1 T2M 50.4(3) 3_575 3_675 ?
T2O Na1 T2M 46.4(3) 3_665 3_675 ?
T1M Na1 T2M 140.7(5) . 3_675 ?
T2M Na1 T2M 134.2(3) 3_676 3_675 ?
Na1 Na1 T2M 98.3(9) 3_575 3_675 ?
OA2 Na1 T2O 83.6(8) . 3_666 ?
OBO Na1 T2O 122.3(6) 3_665 3_666 ?
ODO Na1 T2O 56.7(6) 1_565 3_666 ?
OA1 Na1 T2O 110.5(5) 1_564 3_666 ?
OA1 Na1 T2O 72.4(6) 3_566 3_666 ?
OCM Na1 T2O 111.4(7) 2 3_666 ?
OBM Na1 T2O 161.3(3) 3_675 3_666 ?
ODM Na1 T2O 21.0(3) . 3_666 ?
T1O Na1 T2O 81.3(5) 1_565 3_666 ?
T1O Na1 T2O 100.2(4) 3_565 3_666 ?
T2O Na1 T2O 96.9(6) 1_565 3_666 ?
OCO Na1 T2O 62.8(5) 2 3_666 ?
T2M Na1 T2O 72.3(4) . 3_666 ?
T1M Na1 T2O 136.7(3) 3_575 3_666 ?
T2O Na1 T2O 133.2(4) 3_665 3_666 ?
T1M Na1 T2O 47.0(3) . 3_666 ?
T2M Na1 T2O 43.8(3) 3_676 3_666 ?
Na1 Na1 T2O 91.3(7) 3_575 3_666 ?
T2M Na1 T2O 170.4(3) 3_675 3_666 ?
OA2 Na1 Na1 45.1(5) . 3_675 ?
OBO Na1 Na1 66.0(5) 3_665 3_675 ?
ODO Na1 Na1 139.9(5) 1_565 3_675 ?
OA1 Na1 Na1 121.7(10) 1_564 3_675 ?
OA1 Na1 Na1 124.2(5) 3_566 3_675 ?
OCM Na1 Na1 61.2(4) 2 3_675 ?
OBM Na1 Na1 68.0(6) 3_675 3_675 ?
ODM Na1 Na1 131.5(6) . 3_675 ?
T1O Na1 Na1 142.6(7) 1_565 3_675 ?
T1O Na1 Na1 96.1(5) 3_565 3_675 ?
T2O Na1 Na1 47.85(18) 1_565 3_675 ?
OCO Na1 Na1 70.6(3) 2 3_675 ?
T2M Na1 Na1 54.0(2) . 3_675 ?
T1M Na1 Na1 95.7(7) 3_575 3_675 ?
T2O Na1 Na1 42.6(3) 3_665 3_675 ?
T1M Na1 Na1 133.8(3) . 3_675 ?
T2M Na1 Na1 128.0(5) 3_676 3_675 ?
Na1 Na1 Na1 136.6(12) 3_575 3_675 ?
T2M Na1 Na1 45.5(4) 3_675 3_675 ?
T2O Na1 Na1 126.1(6) 3_666 3_675 ?
OA2 Na1 T1O 61.2(3) . 2 ?
OBO Na1 T1O 64.6(4) 3_665 2 ?
ODO Na1 T1O 124.9(8) 1_565 2 ?
OA1 Na1 T1O 151.9(4) 1_564 2 ?
OA1 Na1 T1O 69.7(3) 3_566 2 ?
OCM Na1 T1O 119.6(3) 2 2 ?
OBM Na1 T1O 130.4(5) 3_675 2 ?
ODM Na1 T1O 61.9(3) . 2 ?
T1O Na1 T1O 145.2(6) 1_565 2 ?
T1O Na1 T1O 66.9(2) 3_565 2 ?
T2O Na1 T1O 89.7(2) 1_565 2 ?
OCO Na1 T1O 12.3(3) 2 2 ?
T2M Na1 T1O 37.88(14) . 2 ?
T1M Na1 T1O 146.4(5) 3_575 2 ?
T2O Na1 T1O 65.52(17) 3_665 2 ?
T1M Na1 T1O 64.0(2) . 2 ?
T2M Na1 T1O 108.5(6) 3_676 2 ?
Na1 Na1 T1O 110.0(4) 3_575 2 ?
T2M Na1 T1O 108.5(3) 3_675 2 ?
T2O Na1 T1O 68.3(3) 3_666 2 ?
Na1 Na1 T1O 71.9(2) 3_675 2 ?
OA2 Na1 Na1 48.0(6) . 3_676 ?
OBO Na1 Na1 135.5(6) 3_665 3_676 ?
ODO Na1 Na1 64.9(6) 1_565 3_676 ?
OA1 Na1 Na1 126.8(6) 1_564 3_676 ?
OA1 Na1 Na1 111.0(9) 3_566 3_676 ?
OCM Na1 Na1 74.9(5) 2 3_676 ?
OBM Na1 Na1 137.0(5) 3_675 3_676 ?
ODM Na1 Na1 60.1(6) . 3_676 ?
T1O Na1 Na1 96.3(6) 1_565 3_676 ?
T1O Na1 Na1 132.1(7) 3_565 3_676 ?
T2O Na1 Na1 56.3(3) 1_565 3_676 ?
OCO Na1 Na1 60.1(5) 2 3_676 ?
T2M Na1 Na1 49.1(3) . 3_676 ?
T1M Na1 Na1 141.4(3) 3_575 3_676 ?
T2O Na1 Na1 125.4(2) 3_665 3_676 ?
T1M Na1 Na1 86.1(6) . 3_676 ?
T2M Na1 Na1 44.4(3) 3_676 3_676 ?
Na1 Na1 Na1 129.5(10) 3_575 3_676 ?
T2M Na1 Na1 130.1(3) 3_675 3_676 ?
T2O Na1 Na1 40.6(4) 3_666 3_676 ?
Na1 Na1 Na1 93.1(4) 3_675 3_676 ?
T1O Na1 Na1 71.8(3) 2 3_676 ?
OCO T1O OBO 110.5(4) . 1_455 ?
OCO T1O ODO 108.7(7) . . ?
OBO T1O ODO 110.9(8) 1_455 . ?
OCO T1O OA1 116.7(8) . 1_554 ?
OBO T1O OA1 105.1(8) 1_455 1_554 ?
ODO T1O OA1 104.8(6) . 1_554 ?
OCO T1O T2M 25.3(2) . 2_445 ?
OBO T1O T2M 135.3(3) 1_455 2_445 ?
ODO T1O T2M 91.3(3) . 2_445 ?
OA1 T1O T2M 105.8(3) 1_554 2_445 ?
OCO T1O T2M 91.5(7) . 3_666 ?
OBO T1O T2M 105.1(8) 1_455 3_666 ?
ODO T1O T2M 22.8(5) . 3_666 ?
OA1 T1O T2M 127.0(4) 1_554 3_666 ?
T2M T1O T2M 80.5(2) 2_445 3_666 ?
OCO T1O T2O 94.0(4) . 1_455 ?
OBO T1O T2O 19.5(6) 1_455 1_455 ?
ODO T1O T2O 108.6(5) . 1_455 ?
OA1 T1O T2O 123.3(4) 1_554 1_455 ?
T2M T1O T2O 117.58(16) 2_445 1_455 ?
T2M T1O T2O 95.8(3) 3_666 1_455 ?
OCO T1O T1M 98.2(7) . 3_565 ?
OBO T1O T1M 113.7(8) 1_455 3_565 ?
ODO T1O T1M 114.0(5) . 3_565 ?
OA1 T1O T1M 18.5(3) 1_554 3_565 ?
T2M T1O T1M 89.2(2) 2_445 3_565 ?
T2M T1O T1M 133.22(14) 3_666 3_565 ?
T2O T1O T1M 128.6(3) 1_455 3_565 ?
OCO T1O Na1 136.8(3) . 1_545 ?
OBO T1O Na1 112.6(3) 1_455 1_545 ?
ODO T1O Na1 51.5(6) . 1_545 ?
OA1 T1O Na1 54.2(6) 1_554 1_545 ?
T2M T1O Na1 111.6(2) 2_445 1_545 ?
T2M T1O Na1 74.2(5) 3_666 1_545 ?
T2O T1O Na1 127.3(3) 1_455 1_545 ?
T1M T1O Na1 67.5(5) 3_565 1_545 ?
OCO T1O Na1 139.0(6) . 3_565 ?
OBO T1O Na1 49.7(7) 1_455 3_565 ?
ODO T1O Na1 112.1(4) . 3_565 ?
OA1 T1O Na1 56.4(5) 1_554 3_565 ?
T2M T1O Na1 152.9(5) 2_445 3_565 ?
T2M T1O Na1 126.1(4) 3_666 3_565 ?
T2O T1O Na1 69.0(3) 1_455 3_565 ?
T1M T1O Na1 69.3(4) 3_565 3_565 ?
Na1 T1O Na1 76.1(3) 1_545 3_565 ?
OCO T1O OBM 53.5(3) . 2_445 ?
OBO T1O OBM 162.9(3) 1_455 2_445 ?
ODO T1O OBM 82.3(4) . 2_445 ?
OA1 T1O OBM 80.6(4) 1_554 2_445 ?
T2M T1O OBM 29.9(2) 2_445 2_445 ?
T2M T1O OBM 82.9(4) 3_666 2_445 ?
T2O T1O OBM 147.3(2) 1_455 2_445 ?
T1M T1O OBM 67.5(4) 3_565 2_445 ?
Na1 T1O OBM 83.9(2) 1_545 2_445 ?
Na1 T1O OBM 136.6(6) 3_565 2_445 ?
OCO T1O T1M 72.5(7) . 3_566 ?
OBO T1O T1M 67.9(8) 1_455 3_566 ?
ODO T1O T1M 72.9(5) . 3_566 ?
OA1 T1O T1M 170.5(3) 1_554 3_566 ?
T2M T1O T1M 83.5(2) 2_445 3_566 ?
T2M T1O T1M 52.06(15) 3_666 3_566 ?
T2O T1O T1M 50.87(18) 1_455 3_566 ?
T1M T1O T1M 170.16(13) 3_565 3_566 ?
Na1 T1O T1M 121.4(5) 1_545 3_566 ?
Na1 T1O T1M 115.5(4) 3_565 3_566 ?
OBM T1O T1M 107.9(4) 2_445 3_566 ?
OCO T1O T1O 55.6(6) . 4_556 ?
OBO T1O T1O 129.1(8) 1_455 4_556 ?
ODO T1O T1O 53.1(3) . 4_556 ?
OA1 T1O T1O 125.2(3) 1_554 4_556 ?
T2M T1O T1O 41.08(15) 2_445 4_556 ?
T2M T1O T1O 39.43(13) 3_666 4_556 ?
T2O T1O T1O 111.5(3) 1_455 4_556 ?
T1M T1O T1O 116.58(14) 3_565 4_556 ?
Na1 T1O T1O 93.2(3) 1_545 4_556 ?
Na1 T1O T1O 165.1(4) 3_565 4_556 ?
OBM T1O T1O 50.2(4) 2_445 4_556 ?
T1M T1O T1O 61.18(17) 3_566 4_556 ?
OCO T1O T1O 65.6(6) . 4_455 ?
OBO T1O T1O 70.9(6) 1_455 4_455 ?
ODO T1O T1O 174.0(4) . 4_455 ?
OA1 T1O T1O 79.8(4) 1_554 4_455 ?
T2M T1O T1O 83.76(15) 2_445 4_455 ?
T2M T1O T1O 151.8(2) 3_666 4_455 ?
T2O T1O T1O 71.11(13) 1_455 4_455 ?
T1M T1O T1O 69.3(2) 3_565 4_455 ?
Na1 T1O T1O 133.6(5) 1_545 4_455 ?
Na1 T1O T1O 73.5(3) 3_565 4_455 ?
OBM T1O T1O 94.8(3) 2_445 4_455 ?
T1M T1O T1O 103.13(14) 3_566 4_455 ?
T1O T1O T1O 121.15(10) 4_556 4_455 ?
OCO T1O T2O 62.8(8) . 4 ?
OBO T1O T2O 107.6(7) 1_455 4 ?
ODO T1O T2O 140.8(4) . 4 ?
OA1 T1O T2O 57.2(3) 1_554 4 ?
T2M T1O T2O 65.4(2) 2_445 4 ?
T2M T1O T2O 143.80(10) 3_666 4 ?
T2O T1O T2O 110.15(17) 1_455 4 ?
T1M T1O T2O 40.05(10) 3_565 4 ?
Na1 T1O T2O 106.3(5) 1_545 4 ?
Na1 T1O T2O 87.6(5) 3_565 4 ?
OBM T1O T2O 61.5(3) 2_445 4 ?
T1M T1O T2O 130.20(9) 3_566 4 ?
T1O T1O T2O 105.64(12) 4_556 4 ?
T1O T1O T2O 39.04(11) 4_455 4 ?
OCO T1O Na1 26.1(7) . 2_445 ?
OBO T1O Na1 96.6(3) 1_455 2_445 ?
ODO T1O Na1 134.8(4) . 2_445 ?
OA1 T1O Na1 101.4(5) 1_554 2_445 ?
T2M T1O Na1 45.94(15) 2_445 2_445 ?
T2M T1O Na1 117.0(3) 3_666 2_445 ?
T2O T1O Na1 85.83(17) 1_455 2_445 ?
T1M T1O Na1 84.0(3) 3_565 2_445 ?
Na1 T1O Na1 145.2(6) 1_545 2_445 ?
Na1 T1O Na1 113.1(2) 3_565 2_445 ?
OBM T1O Na1 66.34(17) 2_445 2_445 ?
T1M T1O Na1 86.1(3) 3_566 2_445 ?
T1O T1O Na1 81.7(2) 4_556 2_445 ?
T1O T1O Na1 39.5(2) 4_455 2_445 ?
T2O T1O Na1 44.2(3) 4 2_445 ?
OCO T1O T2O 126.1(8) . 3_656 ?
OBO T1O T2O 81.7(6) 1_455 3_656 ?
ODO T1O T2O 29.6(3) . 3_656 ?
OA1 T1O T2O 109.2(3) 1_554 3_656 ?
T2M T1O T2O 116.7(2) 2_445 3_656 ?
T2M T1O T2O 36.38(9) 3_666 3_656 ?
T2O T1O T2O 82.77(16) 1_455 3_656 ?
T1M T1O T2O 125.41(11) 3_565 3_656 ?
Na1 T1O T2O 58.5(5) 1_545 3_656 ?
Na1 T1O T2O 89.8(4) 3_565 3_656 ?
OBM T1O T2O 112.0(3) 2_445 3_656 ?
T1M T1O T2O 64.14(13) 3_566 3_656 ?
T1O T1O T2O 75.67(18) 4_556 3_656 ?
T1O T1O T2O 152.60(11) 4_455 3_656 ?
T2O T1O T2O 164.74(14) 4 3_656 ?
Na1 T1O T2O 148.7(3) 2_445 3_656 ?
OCO T1O T1O 160.3(8) . 3 ?
OBO T1O T1O 80.2(4) 1_455 3 ?
ODO T1O T1O 81.2(4) . 3 ?
OA1 T1O T1O 43.7(3) 1_554 3 ?
T2M T1O T1O 143.2(2) 2_445 3 ?
T2M T1O T1O 101.87(15) 3_666 3 ?
T2O T1O T1O 98.82(10) 1_455 3 ?
T1M T1O T1O 62.16(16) 3_565 3 ?
Na1 T1O T1O 38.4(2) 1_545 3 ?
Na1 T1O T1O 37.74(12) 3_565 3 ?
OBM T1O T1O 113.4(3) 2_445 3 ?
T1M T1O T1O 127.12(18) 3_566 3 ?
T1O T1O T1O 130.76(15) 4_556 3 ?
T1O T1O T1O 104.7(3) 4_455 3 ?
T2O T1O T1O 98.6(2) 4 3 ?
Na1 T1O T1O 140.2(4) 2_445 3 ?
T2O T1O T1O 70.60(13) 3_656 3 ?
OCO T1O T2O 42.0(5) . 4_556 ?
OBO T1O T2O 74.5(5) 1_455 4_556 ?
ODO T1O T2O 103.2(5) . 4_556 ?
OA1 T1O T2O 149.9(4) 1_554 4_556 ?
T2M T1O T2O 62.52(13) 2_445 4_556 ?
T2M T1O T2O 80.42(17) 3_666 4_556 ?
T2O T1O T2O 55.54(11) 1_455 4_556 ?
T1M T1O T2O 133.67(14) 3_565 4_556 ?
Na1 T1O T2O 154.6(5) 1_545 4_556 ?
Na1 T1O T2O 121.15(18) 3_565 4_556 ?
OBM T1O T2O 92.3(2) 2_445 4_556 ?
T1M T1O T2O 36.57(10) 3_566 4_556 ?
T1O T1O T2O 65.91(12) 4_556 4_556 ?
T1O T1O T2O 71.60(12) 4_455 4_556 ?
T2O T1O T2O 93.63(7) 4 4_556 ?
Na1 T1O T2O 49.7(3) 2_445 4_556 ?
T2O T1O T2O 100.59(19) 3_656 4_556 ?
T1O T1O T2O 154.23(11) 3 4_556 ?
ODM T1M OBM 116.5(7) . 1_455 ?
ODM T1M OCM 111.0(8) . . ?
OBM T1M OCM 110.8(4) 1_455 . ?
ODM T1M OA1 103.8(6) . 3_566 ?
OBM T1M OA1 102.9(8) 1_455 3_566 ?
OCM T1M OA1 111.4(9) . 3_566 ?
ODM T1M T2O 88.2(4) . 2_455 ?
OBM T1M T2O 128.5(4) 1_455 2_455 ?
OCM T1M T2O 23.3(5) . 2_455 ?
OA1 T1M T2O 114.5(3) 3_566 2_455 ?
ODM T1M T2O 16.3(5) . 3_666 ?
OBM T1M T2O 106.0(7) 1_455 3_666 ?
OCM T1M T2O 106.2(8) . 3_666 ?
OA1 T1M T2O 119.4(4) 3_566 3_666 ?
T2O T1M T2O 85.6(2) 2_455 3_666 ?
ODM T1M T1O 112.9(5) . 3_565 ?
OBM T1M T1O 110.4(8) 1_455 3_565 ?
OCM T1M T1O 92.9(8) . 3_565 ?
OA1 T1M T1O 18.6(3) 3_566 3_565 ?
T2O T1M T1O 97.9(2) 2_455 3_565 ?
T2O T1M T1O 129.18(14) 3_666 3_565 ?
ODM T1M Na1 113.6(4) . 3_575 ?
OBM T1M Na1 60.5(7) 1_455 3_575 ?
OCM T1M Na1 132.9(8) . 3_575 ?
OA1 T1M Na1 43.3(4) 3_566 3_575 ?
T2O T1M Na1 150.6(4) 2_455 3_575 ?
T2O T1M Na1 120.8(2) 3_666 3_575 ?
T1O T1M Na1 56.3(3) 3_565 3_575 ?
ODM T1M Na1 60.3(6) . . ?
OBM T1M Na1 118.6(4) 1_455 . ?
OCM T1M Na1 127.9(5) . . ?
OA1 T1M Na1 43.5(5) 3_566 . ?
T2O T1M Na1 112.82(17) 2_455 . ?
T2O T1M Na1 75.9(4) 3_666 . ?
T1O T1M Na1 56.0(4) 3_565 . ?
Na1 T1M Na1 66.8(3) 3_575 . ?
ODM T1M T1O 65.8(5) . 3_566 ?
OBM T1M T1O 63.8(8) 1_455 3_566 ?
OCM T1M T1O 96.7(8) . 3_566 ?
OA1 T1M T1O 151.9(3) 3_566 3_566 ?
T2O T1M T1O 91.9(2) 2_455 3_566 ?
T2O T1M T1O 49.95(14) 3_666 3_566 ?
T1O T1M T1O 170.16(13) 3_565 3_566 ?
Na1 T1M T1O 114.6(3) 3_575 3_566 ?
Na1 T1M T1O 118.6(4) . 3_566 ?
OBO T2O OCM 112.5(9) . 2_545 ?
OBO T2O OA2 108.5(6) . 1_545 ?
OCM T2O OA2 104.7(5) 2_545 1_545 ?
OBO T2O ODM 109.9(8) . 3_666 ?
OCM T2O ODM 113.0(8) 2_545 3_666 ?
OA2 T2O ODM 107.8(9) 1_545 3_666 ?
OBO T2O T2M 94.5(3) . 1_545 ?
OCM T2O T2M 130.1(3) 2_545 1_545 ?
OA2 T2O T2M 25.4(4) 1_545 1_545 ?
ODM T2O T2M 94.1(4) 3_666 1_545 ?
OBO T2O T1M 105.9(5) . 2_545 ?
OCM T2O T1M 23.3(4) 2_545 2_545 ?
OA2 T2O T1M 127.0(4) 1_545 2_545 ?
ODM T2O T1M 96.6(3) 3_666 2_545 ?
T2M T2O T1M 152.09(13) 1_545 2_545 ?
OBO T2O T1O 19.7(5) . 1_655 ?
OCM T2O T1O 110.7(5) 2_545 1_655 ?
OA2 T2O T1O 126.3(4) 1_545 1_655 ?
ODM T2O T1O 94.2(4) 3_666 1_655 ?
T2M T2O T1O 108.02(11) 1_545 1_655 ?
T1M T2O T1O 96.86(15) 2_545 1_655 ?
OBO T2O T1M 96.0(7) . 3_666 ?
OCM T2O T1M 114.8(6) 2_545 3_666 ?
OA2 T2O T1M 120.2(8) 1_545 3_666 ?
ODM T2O T1M 15.5(3) 3_666 3_666 ?
T2M T2O T1M 102.4(3) 1_545 3_666 ?
T1M T2O T1M 94.4(2) 2_545 3_666 ?
T1O T2O T1M 79.17(18) 1_655 3_666 ?
OBO T2O Na1 126.4(8) . 1_545 ?
OCM T2O Na1 62.4(4) 2_545 1_545 ?
OA2 T2O Na1 42.4(5) 1_545 1_545 ?
ODM T2O Na1 121.1(6) 3_666 1_545 ?
T2M T2O Na1 67.7(3) 1_545 1_545 ?
T1M T2O Na1 84.7(2) 2_545 1_545 ?
T1O T2O Na1 144.4(5) 1_655 1_545 ?
T1M T2O Na1 136.3(5) 3_666 1_545 ?
OBO T2O ODM 100.0(3) . 2_545 ?
OCM T2O ODM 51.2(5) 2_545 2_545 ?
OA2 T2O ODM 148.9(3) 1_545 2_545 ?
ODM T2O ODM 72.6(5) 3_666 2_545 ?
T2M T2O ODM 162.9(4) 1_545 2_545 ?
T1M T2O ODM 28.2(2) 2_545 2_545 ?
T1O T2O ODM 84.04(18) 1_655 2_545 ?
T1M T2O ODM 67.4(3) 3_666 2_545 ?
Na1 T2O ODM 109.6(2) 1_545 2_545 ?
OBO T2O Na1 37.3(5) . 3_665 ?
OCM T2O Na1 103.1(8) 2_545 3_665 ?
OA2 T2O Na1 76.9(7) 1_545 3_665 ?
ODM T2O Na1 140.3(4) 3_666 3_665 ?
T2M T2O Na1 73.5(3) 1_545 3_665 ?
T1M T2O Na1 112.0(4) 2_545 3_665 ?
T1O T2O Na1 56.79(19) 1_655 3_665 ?
T1M T2O Na1 129.9(2) 3_666 3_665 ?
Na1 T2O Na1 89.6(3) 1_545 3_665 ?
ODM T2O Na1 123.5(4) 2_545 3_665 ?
OBO T2O Na1 133.1(7) . 3_666 ?
OCM T2O Na1 113.6(7) 2_545 3_666 ?
OA2 T2O Na1 66.8(8) 1_545 3_666 ?
ODM T2O Na1 42.4(4) 3_666 3_666 ?
T2M T2O Na1 60.9(2) 1_545 3_666 ?
T1M T2O Na1 113.2(2) 2_545 3_666 ?
T1O T2O Na1 127.2(3) 1_655 3_666 ?
T1M T2O Na1 57.1(2) 3_666 3_666 ?
Na1 T2O Na1 83.1(6) 1_545 3_666 ?
ODM T2O Na1 102.3(4) 2_545 3_666 ?
Na1 T2O Na1 133.2(4) 3_665 3_666 ?
OBO T2O T2O 106.0(4) . 4_656 ?
OCM T2O T2O 69.6(6) 2_545 4_656 ?
OA2 T2O T2O 144.2(7) 1_545 4_656 ?
ODM T2O T2O 50.2(3) 3_666 4_656 ?
T2M T2O T2O 143.0(4) 1_545 4_656 ?
T1M T2O T2O 48.37(14) 2_545 4_656 ?
T1O T2O T2O 86.87(11) 1_655 4_656 ?
T1M T2O T2O 46.03(15) 3_666 4_656 ?
Na1 T2O T2O 118.39(18) 1_545 4_656 ?
ODM T2O T2O 22.4(3) 2_545 4_656 ?
Na1 T2O T2O 138.7(3) 3_665 4_656 ?
Na1 T2O T2O 83.0(3) 3_666 4_656 ?
OBO T2O T1O 69.7(6) . 4 ?
OCM T2O T1O 42.9(6) 2_545 4 ?
OA2 T2O T1O 121.1(8) 1_545 4 ?
ODM T2O T1O 128.8(3) 3_666 4 ?
T2M T2O T1O 137.0(3) 1_545 4 ?
T1M T2O T1O 42.08(18) 2_545 4 ?
T1O T2O T1O 69.85(17) 1_655 4 ?
T1M T2O T1O 118.50(12) 3_666 4 ?
Na1 T2O T1O 89.3(4) 1_545 4 ?
ODM T2O T1O 57.9(3) 2_545 4 ?
Na1 T2O T1O 70.3(3) 3_665 4 ?
Na1 T2O T1O 154.95(12) 3_666 4 ?
T2O T2O T1O 79.74(16) 4_656 4 ?
OBO T2O T1O 95.4(6) . 3_656 ?
OCM T2O T1O 151.7(6) 2_545 3_656 ?
OA2 T2O T1O 59.5(6) 1_545 3_656 ?
ODM T2O T1O 58.2(3) 3_666 3_656 ?
T2M T2O T1O 37.79(17) 1_545 3_656 ?
T1M T2O T1O 151.9(3) 2_545 3_656 ?
T1O T2O T1O 97.23(16) 1_655 3_656 ?
T1M T2O T1O 64.67(14) 3_666 3_656 ?
Na1 T2O T1O 97.6(4) 1_545 3_656 ?
ODM T2O T1O 130.8(4) 2_545 3_656 ?
Na1 T2O T1O 96.1(3) 3_665 3_656 ?
Na1 T2O T1O 40.19(12) 3_666 3_656 ?
T2O T2O T1O 108.4(3) 4_656 3_656 ?
T1O T2O T1O 164.74(14) 4 3_656 ?
OBO T2O T2O 79.2(6) . 3_655 ?
OCM T2O T2O 81.7(6) 2_545 3_655 ?
OA2 T2O T2O 48.5(8) 1_545 3_655 ?
ODM T2O T2O 155.9(4) 3_666 3_655 ?
T2M T2O T2O 62.42(16) 1_545 3_655 ?
T1M T2O T2O 102.4(3) 2_545 3_655 ?
T1O T2O T2O 98.2(2) 1_655 3_655 ?
T1M T2O T2O 163.23(15) 3_666 3_655 ?
Na1 T2O T2O 47.4(3) 1_545 3_655 ?
ODM T2O T2O 129.1(4) 2_545 3_655 ?
Na1 T2O T2O 42.19(17) 3_665 3_655 ?
Na1 T2O T2O 115.00(18) 3_666 3_655 ?
T2O T2O T2O 150.7(3) 4_656 3_655 ?
T1O T2O T2O 75.16(19) 4 3_655 ?
T1O T2O T2O 99.56(10) 3_656 3_655 ?
OBO T2O T1O 143.4(3) . 4_556 ?
OCM T2O T1O 59.8(8) 2_545 4_556 ?
OA2 T2O T1O 108.0(5) 1_545 4_556 ?
ODM T2O T1O 55.1(3) 3_666 4_556 ?
T2M T2O T1O 118.1(2) 1_545 4_556 ?
T1M T2O T1O 51.57(18) 2_545 4_556 ?
T1O T2O T1O 124.46(11) 1_655 4_556 ?
T1M T2O T1O 62.71(12) 3_666 4_556 ?
Na1 T2O T1O 84.0(2) 1_545 4_556 ?
ODM T2O T1O 45.6(2) 2_545 4_556 ?
Na1 T2O T1O 162.8(4) 3_665 4_556 ?
Na1 T2O T1O 61.91(15) 3_666 4_556 ?
T2O T2O T1O 37.59(9) 4_656 4_556 ?
T1O T2O T1O 93.63(7) 4 4_556 ?
T1O T2O T1O 100.59(19) 3_656 4_556 ?
T2O T2O T1O 129.26(10) 3_655 4_556 ?
OCO T2M OA2 108.5(5) 2 . ?
OCO T2M OBM 110.0(6) 2 . ?
OA2 T2M OBM 110.5(8) . . ?
OCO T2M ODO 108.5(9) 2 3_666 ?
OA2 T2M ODO 106.2(8) . 3_666 ?
OBM T2M ODO 112.9(8) . 3_666 ?
OCO T2M T1O 25.3(2) 2 2 ?
OA2 T2M T1O 129.6(5) . 2 ?
OBM T2M T1O 87.6(3) . 2 ?
ODO T2M T1O 108.9(4) 3_666 2 ?
OCO T2M T2O 133.9(4) 2 1_565 ?
OA2 T2M T2O 25.5(3) . 1_565 ?
OBM T2M T2O 97.4(4) . 1_565 ?
ODO T2M T2O 92.8(3) 3_666 1_565 ?
T1O T2M T2O 153.9(3) 2 1_565 ?
OCO T2M T1O 108.9(8) 2 3_666 ?
OA2 T2M T1O 124.9(7) . 3_666 ?
OBM T2M T1O 92.7(7) . 3_666 ?
ODO T2M T1O 22.5(3) 3_666 3_666 ?
T1O T2M T1O 99.5(2) 2 3_666 ?
T2O T2M T1O 105.8(2) 1_565 3_666 ?
OCO T2M Na1 74.0(4) 2 . ?
OA2 T2M Na1 34.5(4) . . ?
OBM T2M Na1 124.3(8) . . ?
ODO T2M Na1 117.9(5) 3_666 . ?
T1O T2M Na1 96.2(2) 2 . ?
T2O T2M Na1 59.9(2) 1_565 . ?
T1O T2M Na1 140.3(4) 3_666 . ?
OCO T2M Na1 102.2(7) 2 3_676 ?
OA2 T2M Na1 79.8(8) . 3_676 ?
OBM T2M Na1 140.0(6) . 3_676 ?
ODO T2M Na1 31.3(4) 3_666 3_676 ?
T1O T2M Na1 116.3(3) 2 3_676 ?
T2O T2M Na1 75.4(3) 1_565 3_676 ?
T1O T2M Na1 53.8(3) 3_666 3_676 ?
Na1 T2M Na1 86.6(5) . 3_676 ?
OCO T2M Na1 115.7(9) 2 3_675 ?
OA2 T2M Na1 64.9(6) . 3_675 ?
OBM T2M Na1 46.6(6) . 3_675 ?
ODO T2M Na1 135.5(4) 3_666 3_675 ?
T1O T2M Na1 108.7(3) 2 3_675 ?
T2O T2M Na1 60.1(2) 1_565 3_675 ?
T1O T2M Na1 127.1(2) 3_666 3_675 ?
Na1 T2M Na1 80.5(3) . 3_675 ?
Na1 T2M Na1 134.2(3) 3_676 3_675 ?
T1M OA1 T1O 143.0(5) 3_566 1_556 ?
T1M OA1 Na1 110.3(6) 3_566 1_546 ?
T1O OA1 Na1 94.1(8) 1_556 1_546 ?
T1M OA1 Na1 111.1(8) 3_566 3_566 ?
T1O OA1 Na1 92.3(6) 1_556 3_566 ?
Na1 OA1 Na1 97.0(4) 1_546 3_566 ?
T2M OA2 T2O 129.1(7) . 1_565 ?
T2M OA2 Na1 121.8(5) . . ?
T2O OA2 Na1 109.0(6) 1_565 . ?
T2O OBO T1O 140.8(10) . 1_655 ?
T2O OBO Na1 119.1(6) . 3_665 ?
T1O OBO Na1 99.7(8) 1_655 3_665 ?
T1M OBM T2M 151.4(14) 1_655 . ?
T1M OBM Na1 91.7(7) 1_655 3_675 ?
T2M OBM Na1 109.9(6) . 3_675 ?
T1M OBM T1O 120.6(3) 1_655 2 ?
T2M OBM T1O 62.6(2) . 2 ?
Na1 OBM T1O 123.9(6) 3_675 2 ?
T2M OCO T1O 129.4(4) 2_445 . ?
T2M OCO Na1 78.5(4) 2_445 2_445 ?
T1O OCO Na1 141.6(9) . 2_445 ?
T2O OCM T1M 133.4(9) 2_455 . ?
T2O OCM Na1 87.3(4) 2_455 2_445 ?
T1M OCM Na1 136.3(4) . 2_445 ?
T1O ODO T2M 134.7(7) . 3_666 ?
T1O ODO Na1 97.1(8) . 1_545 ?
T2M ODO Na1 128.1(6) 3_666 1_545 ?
T1M ODM T2O 148.2(8) . 3_666 ?
T1M ODM Na1 93.5(7) . . ?
T2O ODM Na1 116.6(5) 3_666 . ?
T1M ODM T2O 63.6(3) . 2_455 ?
T2O ODM T2O 107.4(5) 3_666 2_455 ?
Na1 ODM T2O 116.3(5) . 2_455 ?
 
_diffrn_measured_fraction_theta_max    0.315
_diffrn_reflns_theta_full              31.61
_diffrn_measured_fraction_theta_full   0.315
_refine_diff_density_max    0.779
_refine_diff_density_min   -0.663
_refine_diff_density_rms    0.177
