 
data_ab55_ass
 
_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                    7.8171(14)
_cell_length_b                    12.660(7)
_cell_length_c                    6.9517(19)
_cell_angle_alpha                 93.80(5)
_cell_angle_beta                  116.50(2)
_cell_angle_gamma                 90.86(4)
_cell_volume                      613.6(4)
_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     2.839
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              520
_exptl_absorpt_coefficient_mu     1.001
_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             989
_diffrn_reflns_av_R_equivalents   0.1147
_diffrn_reflns_av_sigmaI/netI     0.0942
_diffrn_reflns_limit_h_min        -11
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        -8
_diffrn_reflns_limit_k_max        7
_diffrn_reflns_limit_l_min        -9
_diffrn_reflns_limit_l_max        10
_diffrn_reflns_theta_min          3.26
_diffrn_reflns_theta_max          31.52
_reflns_number_total              387
_reflns_number_gt                 260
_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^)+(0.0986P)^2^+7.2940P] 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          387
_refine_ls_number_parameters      58
_refine_ls_number_restraints      16
_refine_ls_R_factor_all           0.1229
_refine_ls_R_factor_gt            0.0802
_refine_ls_wR_factor_ref          0.2418
_refine_ls_wR_factor_gt           0.1875
_refine_ls_goodness_of_fit_ref    1.257
_refine_ls_restrained_S_all       1.241
_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
Na Na 0.2602(13) 1.011(3) 0.1330(19) 0.13(3) Uani 1 1 d . . .
T1O Si 0.0058(6) 0.1595(12) 0.2129(7) 0.0152(9) Uiso 1 1 d D . .
T1M Si 0.0011(6) 0.8149(12) 0.2293(7) 0.0157(9) Uiso 1 1 d D . .
T2O Si 0.6814(6) 0.1038(11) 0.3133(7) 0.0172(10) Uiso 1 1 d D . .
T2M Si 0.6653(6) 0.8753(11) 0.3525(7) 0.0156(9) Uiso 1 1 d D . .
OA1 O 0.0053(17) 0.132(3) 0.9793(18) 0.029(3) Uiso 1 1 d . . .
OA2 O 0.5653(15) 0.9866(14) 0.2741(18) 0.022(2) Uiso 1 1 d D . .
OBO O 0.8170(14) 0.092(3) 0.1928(19) 0.026(3) Uiso 1 1 d D . .
OBM O 0.8017(17) 0.841(3) 0.239(2) 0.026(3) Uiso 1 1 d D . .
OCO O -0.0088(15) 0.2857(15) 0.2734(18) 0.023(3) Uiso 1 1 d D . .
OCM O 0.0105(16) 0.6861(16) 0.2017(19) 0.027(3) Uiso 1 1 d D . .
ODO O 0.2071(14) 0.110(3) 0.3873(16) 0.023(3) Uiso 1 1 d D . .
ODM O 0.1925(16) 0.867(3) 0.4321(17) 0.029(3) 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
Na 0.025(4) 0.25(10) 0.075(7) -0.040(18) 0.006(4) 0.047(17)
 
_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
Na OA2 2.172(13) . ?
Na ODO 2.29(3) 1_565 ?
Na OBO 2.36(3) 3_665 ?
Na OA1 2.43(3) 1_564 ?
Na OA1 2.54(4) 3_566 ?
Na OCM 2.80(4) 2 ?
Na T1O 2.96(3) 1_565 ?
Na ODM 3.06(4) . ?
Na T1O 3.08(3) 3_565 ?
Na T2O 3.13(2) 1_565 ?
Na OBM 3.16(4) 3_675 ?
Na OCO 3.36(4) 2 ?
Na T2M 3.39(2) . ?
Na T1M 3.41(3) 3_575 ?
Na T1M 3.46(4) . ?
Na T2O 3.554(19) 3_665 ?
Na T2M 3.56(2) 3_676 ?
Na Na 3.64(2) 3_575 ?
Na Na 4.83(2) 3_676 ?
Na Na 4.867(19) 3_675 ?
T1O OA1 1.636(14) 1_554 ?
T1O OBO 1.640(17) 1_455 ?
T1O OCO 1.645(18) . ?
T1O ODO 1.665(14) . ?
T1O Na 2.96(3) 1_545 ?
T1O Na 3.08(3) 3_565 ?
T1M OA1 1.616(15) 3_566 ?
T1M ODM 1.620(16) . ?
T1M OBM 1.628(11) 1_455 ?
T1M OCM 1.635(18) . ?
T1M Na 3.41(3) 3_575 ?
T2O ODM 1.608(12) 3_666 ?
T2O OBO 1.622(11) . ?
T2O OCM 1.642(15) 2_545 ?
T2O OA2 1.669(17) 1_545 ?
T2O Na 3.13(2) 1_545 ?
T2O Na 3.554(19) 3_665 ?
T2M ODO 1.625(11) 3_666 ?
T2M OCO 1.626(15) 2 ?
T2M OA2 1.627(16) . ?
T2M OBM 1.632(12) . ?
T2M Na 3.56(2) 3_676 ?
OA1 T1M 1.616(15) 3_566 ?
OA1 T1O 1.636(14) 1_556 ?
OA1 Na 2.43(3) 1_546 ?
OA1 Na 2.54(4) 3_566 ?
OA2 T2O 1.669(17) 1_565 ?
OBO T1O 1.640(17) 1_655 ?
OBO Na 2.36(3) 3_665 ?
OBM T1M 1.628(11) 1_655 ?
OBM Na 3.16(4) 3_675 ?
OCO T2M 1.626(15) 2_445 ?
OCO Na 3.36(4) 2_445 ?
OCM T2O 1.642(15) 2_455 ?
OCM Na 2.80(4) 2_445 ?
ODO T2M 1.625(11) 3_666 ?
ODO Na 2.29(3) 1_545 ?
ODM T2O 1.608(12) 3_666 ?
 
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 Na ODO 106.7(8) . 1_565 ?
OA2 Na OBO 95.7(9) . 3_665 ?
ODO Na OBO 157.4(6) 1_565 3_665 ?
OA2 Na OA1 148(2) . 1_564 ?
ODO Na OA1 66.8(9) 1_565 1_564 ?
OBO Na OA1 95.7(8) 3_665 1_564 ?
OA2 Na OA1 126.1(18) . 3_566 ?
ODO Na OA1 99.8(9) 1_565 3_566 ?
OBO Na OA1 63.4(10) 3_665 3_566 ?
OA1 Na OA1 85.9(11) 1_564 3_566 ?
OA2 Na OCM 61.8(8) . 2 ?
ODO Na OCM 80.8(13) 1_565 2 ?
OBO Na OCM 113.3(9) 3_665 2 ?
OA1 Na OCM 85.9(14) 1_564 2 ?
OA1 Na OCM 170.8(10) 3_566 2 ?
OA2 Na T1O 136.8(13) . 1_565 ?
ODO Na T1O 34.0(5) 1_565 1_565 ?
OBO Na T1O 125.6(5) 3_665 1_565 ?
OA1 Na T1O 33.5(4) 1_564 1_565 ?
OA1 Na T1O 87.9(6) 3_566 1_565 ?
OCM Na T1O 87.6(12) 2 1_565 ?
OA2 Na ODM 93.6(10) . . ?
ODO Na ODM 69.5(10) 1_565 . ?
OBO Na ODM 107.0(16) 3_665 . ?
OA1 Na ODM 111.8(6) 1_564 . ?
OA1 Na ODM 53.7(7) 3_566 . ?
OCM Na ODM 134.0(7) 2 . ?
T1O Na ODM 86.7(6) 1_565 . ?
OA2 Na T1O 116.9(14) . 3_565 ?
ODO Na T1O 128.8(8) 1_565 3_565 ?
OBO Na T1O 31.7(6) 3_665 3_565 ?
OA1 Na T1O 87.4(7) 1_564 3_565 ?
OA1 Na T1O 32.1(5) 3_566 3_565 ?
OCM Na T1O 143.1(6) 2 3_565 ?
T1O Na T1O 105.9(4) 1_565 3_565 ?
ODM Na T1O 81.9(10) . 3_565 ?
OA2 Na T2O 30.4(6) . 1_565 ?
ODO Na T2O 92.7(10) 1_565 1_565 ?
OBO Na T2O 108.5(5) 3_665 1_565 ?
OA1 Na T2O 117.4(16) 1_564 1_565 ?
OA1 Na T2O 156.5(14) 3_566 1_565 ?
OCM Na T2O 31.5(4) 2 1_565 ?
T1O Na T2O 112.9(12) 1_565 1_565 ?
ODM Na T2O 114.3(5) . 1_565 ?
T1O Na T2O 138.3(7) 3_565 1_565 ?
OA2 Na OBM 103.1(9) . 3_675 ?
ODO Na OBM 107.0(16) 1_565 3_675 ?
OBO Na OBM 69.7(10) 3_665 3_675 ?
OA1 Na OBM 53.7(7) 1_564 3_675 ?
OA1 Na OBM 112.8(7) 3_566 3_675 ?
OCM Na OBM 58.6(9) 2 3_675 ?
T1O Na OBM 82.7(10) 1_565 3_675 ?
ODM Na OBM 163.2(5) . 3_675 ?
T1O Na OBM 88.6(7) 3_565 3_675 ?
T2O Na OBM 81.9(9) 1_565 3_675 ?
OA2 Na OCO 50.6(9) . 2 ?
ODO Na OCO 118.1(9) 1_565 2 ?
OBO Na OCO 74.1(11) 3_665 2 ?
OA1 Na OCO 161.3(14) 1_564 2 ?
OA1 Na OCO 75.5(11) 3_566 2 ?
OCM Na OCO 112.4(4) 2 2 ?
T1O Na OCO 144.9(8) 1_565 2 ?
ODM Na OCO 58.6(8) . 2 ?
T1O Na OCO 75.7(9) 3_565 2 ?
T2O Na OCO 81.0(5) 1_565 2 ?
OBM Na OCO 132.2(7) 3_675 2 ?
OA2 Na T2M 22.9(7) . . ?
ODO Na T2M 112.5(5) 1_565 . ?
OBO Na T2M 87.1(9) 3_665 . ?
OA1 Na T2M 170.5(15) 1_564 . ?
OA1 Na T2M 103.4(13) 3_566 . ?
OCM Na T2M 84.7(4) 2 . ?
T1O Na T2M 146.6(5) 1_565 . ?
ODM Na T2M 75.8(7) . . ?
T1O Na T2M 99.6(10) 3_565 . ?
T2O Na T2M 53.2(3) 1_565 . ?
OBM Na T2M 119.6(4) 3_675 . ?
OCO Na T2M 27.9(3) 2 . ?
OA2 Na T1M 129.7(12) . 3_575 ?
ODO Na T1M 87.8(11) 1_565 3_575 ?
OBO Na T1M 79.9(8) 3_665 3_575 ?
OA1 Na T1M 25.7(4) 1_564 3_575 ?
OA1 Na T1M 96.7(5) 3_566 3_575 ?
OCM Na T1M 74.1(9) 2 3_575 ?
T1O Na T1M 57.5(5) 1_565 3_575 ?
ODM Na T1M 136.0(4) . 3_575 ?
T1O Na T1M 84.5(4) 3_565 3_575 ?
T2O Na T1M 103.6(10) 1_565 3_575 ?
OBM Na T1M 28.3(3) 3_675 3_575 ?
OCO Na T1M 153.6(7) 2 3_575 ?
T2M Na T1M 148.0(6) . 3_575 ?
OA2 Na T1M 113.3(13) . . ?
ODO Na T1M 83.5(9) 1_565 . ?
OBO Na T1M 85.1(12) 3_665 . ?
OA1 Na T1M 97.8(7) 1_564 . ?
OA1 Na T1M 25.9(4) 3_566 . ?
OCM Na T1M 160.9(6) 2 . ?
T1O Na T1M 85.4(4) 1_565 . ?
ODM Na T1M 27.9(4) . . ?
T1O Na T1M 56.0(6) 3_565 . ?
T2O Na T1M 139.8(8) 1_565 . ?
OBM Na T1M 137.5(6) 3_675 . ?
OCO Na T1M 66.3(8) 2 . ?
T2M Na T1M 91.5(9) . . ?
T1M Na T1M 116.1(3) 3_575 . ?
OA2 Na T2O 77.4(6) . 3_665 ?
ODO Na T2O 170.3(15) 1_565 3_665 ?
OBO Na T2O 21.8(3) 3_665 3_665 ?
OA1 Na T2O 104.9(5) 1_564 3_665 ?
OA1 Na T2O 84.2(8) 3_566 3_665 ?
OCM Na T2O 93.9(5) 2 3_665 ?
T1O Na T2O 138.3(5) 1_565 3_665 ?
ODM Na T2O 119.5(13) . 3_665 ?
T1O Na T2O 53.2(4) 3_565 3_665 ?
T2O Na T2O 86.7(3) 1_565 3_665 ?
OBM Na T2O 63.3(6) 3_675 3_665 ?
OCO Na T2O 71.4(6) 2 3_665 ?
T2M Na T2O 74.8(4) . 3_665 ?
T1M Na T2O 82.9(4) 3_575 3_665 ?
T1M Na T2O 103.2(10) . 3_665 ?
OA2 Na T2M 87.6(6) . 3_676 ?
ODO Na T2M 20.6(4) 1_565 3_676 ?
OBO Na T2M 169.0(15) 3_665 3_676 ?
OA1 Na T2M 87.0(9) 1_564 3_676 ?
OA1 Na T2M 106.3(6) 3_566 3_676 ?
OCM Na T2M 77.5(8) 2 3_676 ?
T1O Na T2M 54.6(4) 1_565 3_676 ?
ODM Na T2M 62.2(6) . 3_676 ?
T1O Na T2M 138.3(7) 3_565 3_676 ?
T2O Na T2M 79.5(5) 1_565 3_676 ?
OBM Na T2M 119.9(14) 3_675 3_676 ?
OCO Na T2M 100.2(6) 2 3_676 ?
T2M Na T2M 92.0(3) . 3_676 ?
T1M Na T2M 106.1(9) 3_575 3_676 ?
T1M Na T2M 84.0(4) . 3_676 ?
T2O Na T2M 165.0(3) 3_665 3_676 ?
OA2 Na Na 167(2) . 3_575 ?
ODO Na Na 81.7(6) 1_565 3_575 ?
OBO Na Na 75.7(8) 3_665 3_575 ?
OA1 Na Na 44.2(8) 1_564 3_575 ?
OA1 Na Na 41.7(9) 3_566 3_575 ?
OCM Na Na 130.0(17) 2 3_575 ?
T1O Na Na 54.5(6) 1_565 3_575 ?
ODM Na Na 80.4(9) . 3_575 ?
T1O Na Na 51.5(8) 3_565 3_575 ?
T2O Na Na 161.5(19) 1_565 3_575 ?
OBM Na Na 82.9(8) 3_675 3_575 ?
OCO Na Na 117.2(17) 2 3_575 ?
T2M Na Na 145.1(19) . 3_575 ?
T1M Na Na 58.7(8) 3_575 3_575 ?
T1M Na Na 57.4(9) . 3_575 ?
T2O Na Na 95.8(7) 3_665 3_575 ?
T2M Na Na 99.2(5) 3_676 3_575 ?
OA2 Na Na 47.3(3) . 3_676 ?
ODO Na Na 65.1(5) 1_565 3_676 ?
OBO Na Na 133.4(14) 3_665 3_676 ?
OA1 Na Na 130.8(13) 1_564 3_676 ?
OA1 Na Na 111.6(13) 3_566 3_676 ?
OCM Na Na 77.0(7) 2 3_676 ?
T1O Na Na 99.2(7) 1_565 3_676 ?
ODM Na Na 59.0(6) . 3_676 ?
T1O Na Na 131.8(16) 3_565 3_676 ?
T2O Na Na 56.3(3) 1_565 3_676 ?
OBM Na Na 135.6(14) 3_675 3_676 ?
OCO Na Na 60.7(7) 2 3_676 ?
T2M Na Na 47.4(4) . 3_676 ?
T1M Na Na 143.1(15) 3_575 3_676 ?
T1M Na Na 86.6(8) . 3_676 ?
T2O Na Na 121.8(7) 3_665 3_676 ?
T2M Na Na 44.6(3) 3_676 3_676 ?
Na Na Na 133.9(8) 3_575 3_676 ?
OA2 Na Na 44.5(3) . 3_675 ?
ODO Na Na 138.6(15) 1_565 3_675 ?
OBO Na Na 61.7(5) 3_665 3_675 ?
OA1 Na Na 118.9(11) 1_564 3_675 ?
OA1 Na Na 121.0(13) 3_566 3_675 ?
OCM Na Na 60.1(6) 2 3_675 ?
T1O Na Na 142.6(16) 1_565 3_675 ?
ODM Na Na 128.7(12) . 3_675 ?
T1O Na Na 92.4(7) 3_565 3_675 ?
T2O Na Na 46.8(3) 1_565 3_675 ?
OBM Na Na 65.2(6) 3_675 3_675 ?
OCO Na Na 70.5(7) 2 3_675 ?
T2M Na Na 54.8(3) . 3_675 ?
T1M Na Na 93.4(7) 3_575 3_675 ?
T1M Na Na 131.1(14) . 3_675 ?
T2O Na Na 39.9(3) 3_665 3_675 ?
T2M Na Na 126.0(7) 3_676 3_675 ?
Na Na Na 133.1(6) 3_575 3_675 ?
Na Na Na 91.6(3) 3_676 3_675 ?
OA1 T1O OBO 104.0(10) 1_554 1_455 ?
OA1 T1O OCO 114.8(14) 1_554 . ?
OBO T1O OCO 109.8(11) 1_455 . ?
OA1 T1O ODO 103.8(8) 1_554 . ?
OBO T1O ODO 111.2(12) 1_455 . ?
OCO T1O ODO 112.8(12) . . ?
OA1 T1O Na 55.0(8) 1_554 1_545 ?
OBO T1O Na 108.7(12) 1_455 1_545 ?
OCO T1O Na 141.4(9) . 1_545 ?
ODO T1O Na 50.3(7) . 1_545 ?
OA1 T1O Na 55.7(10) 1_554 3_565 ?
OBO T1O Na 49.1(7) 1_455 3_565 ?
OCO T1O Na 135.2(7) . 3_565 ?
ODO T1O Na 111.9(13) . 3_565 ?
Na T1O Na 74.1(4) 1_545 3_565 ?
OA1 T1M ODM 105.4(12) 3_566 . ?
OA1 T1M OBM 106.9(10) 3_566 1_455 ?
ODM T1M OBM 114.8(12) . 1_455 ?
OA1 T1M OCM 110.3(13) 3_566 . ?
ODM T1M OCM 111.2(13) . . ?
OBM T1M OCM 108.0(16) 1_455 . ?
OA1 T1M Na 40.6(7) 3_566 3_575 ?
ODM T1M Na 114.7(13) . 3_575 ?
OBM T1M Na 67.2(10) 1_455 3_575 ?
OCM T1M Na 130.8(7) . 3_575 ?
OA1 T1M Na 43.4(9) 3_566 . ?
ODM T1M Na 62.2(9) . . ?
OBM T1M Na 120.5(16) 1_455 . ?
OCM T1M Na 129.1(6) . . ?
Na T1M Na 63.9(3) 3_575 . ?
ODM T2O OBO 110.8(6) 3_666 . ?
ODM T2O OCM 112.7(13) 3_666 2_545 ?
OBO T2O OCM 112.7(10) . 2_545 ?
ODM T2O OA2 109.2(13) 3_666 1_545 ?
OBO T2O OA2 106.8(13) . 1_545 ?
OCM T2O OA2 104.2(8) 2_545 1_545 ?
ODM T2O Na 120.4(6) 3_666 1_545 ?
OBO T2O Na 125.8(9) . 1_545 ?
OCM T2O Na 63.2(9) 2_545 1_545 ?
OA2 T2O Na 41.2(8) 1_545 1_545 ?
ODM T2O Na 138.9(7) 3_666 3_665 ?
OBO T2O Na 32.6(9) . 3_665 ?
OCM T2O Na 102.9(6) 2_545 3_665 ?
OA2 T2O Na 79.8(8) 1_545 3_665 ?
Na T2O Na 93.3(3) 1_545 3_665 ?
ODO T2M OCO 113.6(12) 3_666 2 ?
ODO T2M OA2 107.7(14) 3_666 . ?
OCO T2M OA2 106.0(8) 2 . ?
ODO T2M OBM 109.5(6) 3_666 . ?
OCO T2M OBM 107.7(15) 2 . ?
OA2 T2M OBM 112.3(12) . . ?
ODO T2M Na 117.7(9) 3_666 . ?
OCO T2M Na 75.0(8) 2 . ?
OA2 T2M Na 31.3(8) . . ?
OBM T2M Na 126.8(7) . . ?
ODO T2M Na 29.6(8) 3_666 3_676 ?
OCO T2M Na 107.3(7) 2 3_676 ?
OA2 T2M Na 82.7(8) . 3_676 ?
OBM T2M Na 135.8(7) . 3_676 ?
Na T2M Na 88.0(3) . 3_676 ?
T1M OA1 T1O 144(2) 3_566 1_556 ?
T1M OA1 Na 113.7(8) 3_566 1_546 ?
T1O OA1 Na 91.4(8) 1_556 1_546 ?
T1M OA1 Na 110.7(10) 3_566 3_566 ?
T1O OA1 Na 92.3(9) 1_556 3_566 ?
Na OA1 Na 94.1(11) 1_546 3_566 ?
T2M OA2 T2O 125.4(8) . 1_565 ?
T2M OA2 Na 125.8(14) . . ?
T2O OA2 Na 108.4(13) 1_565 . ?
T2O OBO T1O 133.8(18) . 1_655 ?
T2O OBO Na 125.6(12) . 3_665 ?
T1O OBO Na 99.2(8) 1_655 3_665 ?
T1M OBM T2M 156.5(10) 1_655 . ?
T1M OBM Na 84.4(8) 1_655 3_675 ?
T2M OBM Na 109.8(14) . 3_675 ?
T2M OCO T1O 125.2(9) 2_445 . ?
T2M OCO Na 77.1(8) 2_445 2_445 ?
T1O OCO Na 148.5(7) . 2_445 ?
T1M OCM T2O 133.3(10) . 2_455 ?
T1M OCM Na 135.8(8) . 2_445 ?
T2O OCM Na 85.2(9) 2_455 2_445 ?
T2M ODO T1O 134.5(15) 3_666 . ?
T2M ODO Na 129.8(11) 3_666 1_545 ?
T1O ODO Na 95.6(7) . 1_545 ?
T2O ODM T1M 151.2(11) 3_666 . ?
T2O ODM Na 116.2(14) 3_666 . ?
T1M ODM Na 89.9(8) . . ?
 
_diffrn_measured_fraction_theta_max    0.189
_diffrn_reflns_theta_full              31.52
_diffrn_measured_fraction_theta_full   0.189
_refine_diff_density_max    0.548
_refine_diff_density_min   -0.479
_refine_diff_density_rms    0.137
