 
data_ab32_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                    7.9499(15)
_cell_length_b                    12.7297(7)
_cell_length_c                    7.019(2)
_cell_angle_alpha                 93.740(10)
_cell_angle_beta                  116.55(2)
_cell_angle_gamma                 90.510(10)
_cell_volume                      633.4(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     2.750
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              520
_exptl_absorpt_coefficient_mu     0.969
_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             2404
_diffrn_reflns_av_R_equivalents   0.1003
_diffrn_reflns_av_sigmaI/netI     0.0669
_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        7
_diffrn_reflns_theta_min          3.23
_diffrn_reflns_theta_max          31.50
_reflns_number_total              641
_reflns_number_gt                 470
_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^)+(0.0716P)^2^+6.2877P] 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          641
_refine_ls_number_parameters      58
_refine_ls_number_restraints      16
_refine_ls_R_factor_all           0.1165
_refine_ls_R_factor_gt            0.0719
_refine_ls_wR_factor_ref          0.2199
_refine_ls_wR_factor_gt           0.1699
_refine_ls_goodness_of_fit_ref    1.484
_refine_ls_restrained_S_all       1.475
_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 0.2670(15) 1.0095(7) 0.134(4) 0.097(15) Uani 1 1 d . . .
T1O Al 0.0056(6) 0.1609(2) 0.2105(13) 0.0113(6) Uiso 1 1 d D . .
T1M Si 0.0018(6) 0.8147(2) 0.2282(13) 0.0155(6) Uiso 1 1 d D . .
T2O Si 0.6843(7) 0.1051(2) 0.3161(15) 0.0136(6) Uiso 1 1 d D . .
T2M Si 0.6722(7) 0.8754(2) 0.3500(16) 0.0135(6) Uiso 1 1 d D . .
OA1 O 0.0047(13) 0.1323(5) 0.980(2) 0.0233(17) Uiso 1 1 d . . .
OA2 O 0.5744(15) 0.9885(5) 0.272(3) 0.0162(14) Uiso 1 1 d D . .
OBO O 0.8162(15) 0.0979(5) 0.190(3) 0.0200(16) Uiso 1 1 d D . .
OBM O 0.8107(17) 0.8448(6) 0.246(4) 0.0242(17) Uiso 1 1 d D . .
OCO O 0.0010(15) 0.2871(5) 0.278(3) 0.0215(16) Uiso 1 1 d D . .
OCM O 0.0144(17) 0.6855(6) 0.207(4) 0.0268(18) Uiso 1 1 d D . .
ODO O 0.2027(14) 0.1119(5) 0.387(3) 0.0209(17) Uiso 1 1 d D . .
ODM O 0.1886(13) 0.8679(6) 0.425(2) 0.0233(17) 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 0.029(10) 0.111(6) 0.13(5) -0.054(11) 0.03(2) 0.015(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
Na OA2 2.216(15) . ?
Na ODO 2.38(2) 1_565 ?
Na OBO 2.39(3) 3_665 ?
Na OA1 2.494(14) 1_564 ?
Na OA1 2.600(13) 3_566 ?
Na OCM 2.831(13) 2 ?
Na T1O 3.044(8) 1_565 ?
Na ODM 3.07(2) . ?
Na T1O 3.129(18) 3_565 ?
Na T2O 3.170(11) 1_565 ?
Na OBM 3.18(3) 3_675 ?
Na OCO 3.360(13) 2 ?
Na T2M 3.415(11) . ?
Na T1M 3.463(18) 3_575 ?
Na T1M 3.523(11) . ?
Na T2O 3.57(2) 3_665 ?
Na T2M 3.64(2) 3_676 ?
Na Na 3.80(2) 3_575 ?
Na Na 4.84(5) 3_676 ?
Na Na 4.84(2) 3_675 ?
T1O OA1 1.630(14) 1_554 ?
T1O OBO 1.645(7) 1_455 ?
T1O OCO 1.650(9) . ?
T1O ODO 1.662(12) . ?
T1O Na 3.044(8) 1_545 ?
T1O Na 3.129(18) 3_565 ?
T1M ODM 1.613(14) . ?
T1M OBM 1.624(7) 1_455 ?
T1M OA1 1.632(13) 3_566 ?
T1M OCM 1.650(8) . ?
T1M Na 3.463(18) 3_575 ?
T2O OCM 1.630(11) 2_545 ?
T2O OBO 1.644(11) . ?
T2O ODM 1.644(14) 3_666 ?
T2O OA2 1.655(8) 1_545 ?
T2O Na 3.170(11) 1_545 ?
T2O Na 3.57(2) 3_665 ?
T2M OBM 1.611(11) . ?
T2M OCO 1.630(9) 2 ?
T2M OA2 1.649(8) . ?
T2M ODO 1.654(15) 3_666 ?
T2M Na 3.64(2) 3_676 ?
OA1 T1O 1.630(14) 1_556 ?
OA1 T1M 1.632(13) 3_566 ?
OA1 Na 2.494(14) 1_546 ?
OA1 Na 2.600(13) 3_566 ?
OA2 T2O 1.655(8) 1_565 ?
OBO T1O 1.645(7) 1_655 ?
OBO Na 2.39(3) 3_665 ?
OBM T1M 1.624(7) 1_655 ?
OBM Na 3.18(3) 3_675 ?
OCO T2M 1.630(9) 2_445 ?
OCO Na 3.360(13) 2_445 ?
OCM T2O 1.630(11) 2_455 ?
OCM Na 2.831(13) 2_445 ?
ODO T2M 1.654(15) 3_666 ?
ODO Na 2.38(2) 1_545 ?
ODM T2O 1.644(14) 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 108.5(11) . 1_565 ?
OA2 Na OBO 96.7(7) . 3_665 ?
ODO Na OBO 154.6(6) 1_565 3_665 ?
OA2 Na OA1 147.0(5) . 1_564 ?
ODO Na OA1 64.6(5) 1_565 1_564 ?
OBO Na OA1 96.1(9) 3_665 1_564 ?
OA2 Na OA1 129.0(5) . 3_566 ?
ODO Na OA1 97.8(5) 1_565 3_566 ?
OBO Na OA1 62.1(5) 3_665 3_566 ?
OA1 Na OA1 83.7(4) 1_564 3_566 ?
OA2 Na OCM 60.3(3) . 2 ?
ODO Na OCM 80.8(6) 1_565 2 ?
OBO Na OCM 116.1(8) 3_665 2 ?
OA1 Na OCM 86.8(4) 1_564 2 ?
OA1 Na OCM 170.0(8) 3_566 2 ?
OA2 Na T1O 136.8(9) . 1_565 ?
ODO Na T1O 32.9(3) 1_565 1_565 ?
OBO Na T1O 124.5(7) 3_665 1_565 ?
OA1 Na T1O 32.3(3) 1_564 1_565 ?
OA1 Na T1O 86.2(3) 3_566 1_565 ?
OCM Na T1O 87.5(3) 2 1_565 ?
OA2 Na ODM 97.0(8) . . ?
ODO Na ODM 69.0(6) 1_565 . ?
OBO Na ODM 105.1(5) 3_665 . ?
OA1 Na ODM 108.8(4) 1_564 . ?
OA1 Na ODM 52.9(4) 3_566 . ?
OCM Na ODM 134.1(10) 2 . ?
T1O Na ODM 85.3(4) 1_565 . ?
OA2 Na T1O 118.9(6) . 3_565 ?
ODO Na T1O 126.0(3) 1_565 3_565 ?
OBO Na T1O 31.2(3) 3_665 3_565 ?
OA1 Na T1O 86.2(6) 1_564 3_565 ?
OA1 Na T1O 31.4(3) 3_566 3_565 ?
OCM Na T1O 144.8(10) 2 3_565 ?
T1O Na T1O 104.1(3) 1_565 3_565 ?
ODM Na T1O 80.5(4) . 3_565 ?
OA2 Na T2O 29.5(2) . 1_565 ?
ODO Na T2O 93.5(6) 1_565 1_565 ?
OBO Na T2O 110.7(5) 3_665 1_565 ?
OA1 Na T2O 117.7(4) 1_564 1_565 ?
OA1 Na T2O 158.6(4) 3_566 1_565 ?
OCM Na T2O 30.9(2) 2 1_565 ?
T1O Na T2O 112.6(4) 1_565 1_565 ?
ODM Na T2O 116.0(7) . 1_565 ?
T1O Na T2O 140.4(5) 3_565 1_565 ?
OA2 Na OBM 103.3(6) . 3_675 ?
ODO Na OBM 106.1(5) 1_565 3_675 ?
OBO Na OBM 70.4(7) 3_665 3_675 ?
OA1 Na OBM 53.5(5) 1_564 3_675 ?
OA1 Na OBM 110.3(8) 3_566 3_675 ?
OCM Na OBM 61.1(6) 2 3_675 ?
T1O Na OBM 81.6(4) 1_565 3_675 ?
ODM Na OBM 159.5(5) . 3_675 ?
T1O Na OBM 87.5(7) 3_565 3_675 ?
T2O Na OBM 83.7(4) 1_565 3_675 ?
OA2 Na OCO 51.5(3) . 2 ?
ODO Na OCO 119.1(10) 1_565 2 ?
OBO Na OCO 74.1(5) 3_665 2 ?
OA1 Na OCO 161.3(5) 1_564 2 ?
OA1 Na OCO 77.6(3) 3_566 2 ?
OCM Na OCO 111.7(4) 2 2 ?
T1O Na OCO 145.2(8) 1_565 2 ?
ODM Na OCO 60.3(4) . 2 ?
T1O Na OCO 77.2(4) 3_565 2 ?
T2O Na OCO 81.0(3) 1_565 2 ?
OBM Na OCO 132.9(7) 3_675 2 ?
OA2 Na T2M 23.8(2) . . ?
ODO Na T2M 114.5(9) 1_565 . ?
OBO Na T2M 87.3(4) 3_665 . ?
OA1 Na T2M 170.8(4) 1_564 . ?
OA1 Na T2M 105.4(3) 3_566 . ?
OCM Na T2M 84.0(3) 2 . ?
T1O Na T2M 147.3(9) 1_565 . ?
ODM Na T2M 78.4(4) . . ?
T1O Na T2M 100.9(3) 3_565 . ?
T2O Na T2M 53.15(18) 1_565 . ?
OBM Na T2M 120.4(4) 3_675 . ?
OCO Na T2M 27.83(18) 2 . ?
OA2 Na T1M 129.0(6) . 3_575 ?
ODO Na T1M 85.8(4) 1_565 3_575 ?
OBO Na T1M 81.0(7) 3_665 3_575 ?
OA1 Na T1M 25.8(4) 1_564 3_575 ?
OA1 Na T1M 95.0(5) 3_566 3_575 ?
OCM Na T1M 75.1(5) 2 3_575 ?
T1O Na T1M 56.2(3) 1_565 3_575 ?
ODM Na T1M 133.1(3) . 3_575 ?
T1O Na T1M 84.0(5) 3_565 3_575 ?
T2O Na T1M 104.0(3) 1_565 3_575 ?
OBM Na T1M 27.9(2) 3_675 3_575 ?
OCO Na T1M 154.6(8) 2 3_575 ?
T2M Na T1M 148.2(5) . 3_575 ?
OA2 Na T1M 116.1(6) . . ?
ODO Na T1M 82.4(5) 1_565 . ?
OBO Na T1M 83.3(4) 3_665 . ?
OA1 Na T1M 95.5(3) 1_564 . ?
OA1 Na T1M 25.7(3) 3_566 . ?
OCM Na T1M 160.2(10) 2 . ?
T1O Na T1M 84.2(3) 1_565 . ?
ODM Na T1M 27.2(3) . . ?
T1O Na T1M 55.0(2) 3_565 . ?
T2O Na T1M 141.1(7) 1_565 . ?
OBM Na T1M 134.7(6) 3_675 . ?
OCO Na T1M 67.9(3) 2 . ?
T2M Na T1M 93.4(3) . . ?
T1M Na T1M 114.2(3) 3_575 . ?
OA2 Na T2O 78.2(7) . 3_665 ?
ODO Na T2O 168.7(7) 1_565 3_665 ?
OBO Na T2O 22.6(2) 3_665 3_665 ?
OA1 Na T2O 104.7(9) 1_564 3_665 ?
OA1 Na T2O 84.2(6) 3_566 3_665 ?
OCM Na T2O 95.3(6) 2 3_665 ?
T1O Na T2O 136.9(7) 1_565 3_665 ?
ODM Na T2O 120.0(4) . 3_665 ?
T1O Na T2O 53.7(3) 3_565 3_665 ?
T2O Na T2O 88.3(4) 1_565 3_665 ?
OBM Na T2O 63.0(5) 3_675 3_665 ?
OCO Na T2O 72.3(4) 2 3_665 ?
T2M Na T2O 75.4(3) . 3_665 ?
T1M Na T2O 82.9(5) 3_575 3_665 ?
T1M Na T2O 103.1(4) . 3_665 ?
OA2 Na T2M 89.4(9) . 3_676 ?
ODO Na T2M 20.9(4) 1_565 3_676 ?
OBO Na T2M 166.2(5) 3_665 3_676 ?
OA1 Na T2M 85.3(5) 1_564 3_676 ?
OA1 Na T2M 104.5(6) 3_566 3_676 ?
OCM Na T2M 77.7(6) 2 3_676 ?
T1O Na T2M 53.8(4) 1_565 3_676 ?
ODM Na T2M 61.7(5) . 3_676 ?
T1O Na T2M 135.8(4) 3_565 3_676 ?
T2O Na T2M 80.4(5) 1_565 3_676 ?
OBM Na T2M 120.3(4) 3_675 3_676 ?
OCO Na T2M 100.6(7) 2 3_676 ?
T2M Na T2M 93.5(6) . 3_676 ?
T1M Na T2M 104.8(3) 3_575 3_676 ?
T1M Na T2M 82.9(4) . 3_676 ?
T2O Na T2M 167.6(4) 3_665 3_676 ?
OA2 Na Na 169.2(7) . 3_575 ?
ODO Na Na 79.1(4) 1_565 3_575 ?
OBO Na Na 75.5(7) 3_665 3_575 ?
OA1 Na Na 42.9(3) 1_564 3_575 ?
OA1 Na Na 40.8(3) 3_566 3_575 ?
OCM Na Na 129.7(5) 2 3_575 ?
T1O Na Na 53.1(2) 1_565 3_575 ?
ODM Na Na 78.4(5) . 3_575 ?
T1O Na Na 51.0(4) 3_565 3_575 ?
T2O Na Na 160.6(5) 1_565 3_575 ?
OBM Na Na 81.2(7) 3_675 3_575 ?
OCO Na Na 118.4(4) 2 3_575 ?
T2M Na Na 146.2(4) . 3_575 ?
T1M Na Na 57.8(4) 3_575 3_575 ?
T1M Na Na 56.3(3) . 3_575 ?
T2O Na Na 95.6(8) 3_665 3_575 ?
T2M Na Na 96.8(6) 3_676 3_575 ?
OA2 Na Na 49.2(7) . 3_676 ?
ODO Na Na 65.8(7) 1_565 3_676 ?
OBO Na Na 134.2(4) 3_665 3_676 ?
OA1 Na Na 129.4(8) 1_564 3_676 ?
OA1 Na Na 112.1(7) 3_566 3_676 ?
OCM Na Na 76.4(6) 2 3_676 ?
T1O Na Na 98.6(7) 1_565 3_676 ?
ODM Na Na 60.1(5) . 3_676 ?
T1O Na Na 132.3(5) 3_565 3_676 ?
T2O Na Na 56.7(3) 1_565 3_676 ?
OBM Na Na 137.5(5) 3_675 3_676 ?
OCO Na Na 60.9(5) 2 3_676 ?
T2M Na Na 48.7(3) . 3_676 ?
T1M Na Na 142.4(5) 3_575 3_676 ?
T1M Na Na 87.1(5) . 3_676 ?
T2O Na Na 123.9(2) 3_665 3_676 ?
T2M Na Na 44.8(4) 3_676 3_676 ?
Na Na Na 132.5(10) 3_575 3_676 ?
OA2 Na Na 43.9(5) . 3_675 ?
ODO Na Na 139.7(6) 1_565 3_675 ?
OBO Na Na 63.3(5) 3_665 3_675 ?
OA1 Na Na 119.4(9) 1_564 3_675 ?
OA1 Na Na 122.3(7) 3_566 3_675 ?
OCM Na Na 60.4(4) 2 3_675 ?
T1O Na Na 142.1(5) 1_565 3_675 ?
ODM Na Na 131.0(4) . 3_675 ?
T1O Na Na 93.9(6) 3_565 3_675 ?
T2O Na Na 47.4(2) 1_565 3_675 ?
OBM Na Na 66.0(5) 3_675 3_675 ?
OCO Na Na 70.9(3) 2 3_675 ?
T2M Na Na 54.70(19) . 3_675 ?
T1M Na Na 93.9(6) 3_575 3_675 ?
T1M Na Na 132.6(3) . 3_675 ?
T2O Na Na 40.9(3) 3_665 3_675 ?
T2M Na Na 127.7(6) 3_676 3_675 ?
Na Na Na 133.5(12) 3_575 3_675 ?
Na Na Na 93.0(4) 3_676 3_675 ?
OA1 T1O OBO 104.0(9) 1_554 1_455 ?
OA1 T1O OCO 116.4(7) 1_554 . ?
OBO T1O OCO 109.9(4) 1_455 . ?
OA1 T1O ODO 104.6(6) 1_554 . ?
OBO T1O ODO 112.3(6) 1_455 . ?
OCO T1O ODO 109.5(8) . . ?
OA1 T1O Na 54.9(6) 1_554 1_545 ?
OBO T1O Na 111.1(4) 1_455 1_545 ?
OCO T1O Na 139.0(3) . 1_545 ?
ODO T1O Na 51.0(7) . 1_545 ?
OA1 T1O Na 56.1(5) 1_554 3_565 ?
OBO T1O Na 48.8(8) 1_455 3_565 ?
OCO T1O Na 137.0(6) . 3_565 ?
ODO T1O Na 113.2(4) . 3_565 ?
Na T1O Na 75.9(3) 1_545 3_565 ?
ODM T1M OBM 112.6(9) . 1_455 ?
ODM T1M OA1 104.2(6) . 3_566 ?
OBM T1M OA1 107.4(7) 1_455 3_566 ?
ODM T1M OCM 111.0(8) . . ?
OBM T1M OCM 109.9(4) 1_455 . ?
OA1 T1M OCM 111.6(9) 3_566 . ?
ODM T1M Na 114.0(4) . 3_575 ?
OBM T1M Na 66.2(6) 1_455 3_575 ?
OA1 T1M Na 41.7(4) 3_566 3_575 ?
OCM T1M Na 132.1(9) . 3_575 ?
ODM T1M Na 60.6(6) . . ?
OBM T1M Na 120.2(3) 1_455 . ?
OA1 T1M Na 43.7(5) 3_566 . ?
OCM T1M Na 128.5(4) . . ?
Na T1M Na 65.8(3) 3_575 . ?
OCM T2O OBO 111.1(8) 2_545 . ?
OCM T2O ODM 113.5(9) 2_545 3_666 ?
OBO T2O ODM 111.6(7) . 3_666 ?
OCM T2O OA2 104.0(6) 2_545 1_545 ?
OBO T2O OA2 106.7(7) . 1_545 ?
ODM T2O OA2 109.5(9) 3_666 1_545 ?
OCM T2O Na 63.0(4) 2_545 1_545 ?
OBO T2O Na 125.3(8) . 1_545 ?
ODM T2O Na 120.3(6) 3_666 1_545 ?
OA2 T2O Na 41.3(4) 1_545 1_545 ?
OCM T2O Na 102.5(9) 2_545 3_665 ?
OBO T2O Na 34.0(6) . 3_665 ?
ODM T2O Na 139.6(4) 3_666 3_665 ?
OA2 T2O Na 77.4(7) 1_545 3_665 ?
Na T2O Na 91.7(4) 1_545 3_665 ?
OBM T2M OCO 111.1(7) . 2 ?
OBM T2M OA2 111.3(7) . . ?
OCO T2M OA2 106.8(6) 2 . ?
OBM T2M ODO 108.5(8) . 3_666 ?
OCO T2M ODO 111.1(8) 2 3_666 ?
OA2 T2M ODO 108.1(9) . 3_666 ?
OBM T2M Na 128.1(8) . . ?
OCO T2M Na 74.2(4) 2 . ?
OA2 T2M Na 32.8(3) . . ?
ODO T2M Na 117.4(5) 3_666 . ?
OBM T2M Na 135.4(8) . 3_676 ?
OCO T2M Na 104.5(7) 2 3_676 ?
OA2 T2M Na 81.9(8) . 3_676 ?
ODO T2M Na 30.9(3) 3_666 3_676 ?
Na T2M Na 86.5(6) . 3_676 ?
T1O OA1 T1M 142.6(5) 1_556 3_566 ?
T1O OA1 Na 92.7(8) 1_556 1_546 ?
T1M OA1 Na 112.5(6) 3_566 1_546 ?
T1O OA1 Na 92.5(6) 1_556 3_566 ?
T1M OA1 Na 110.6(8) 3_566 3_566 ?
Na OA1 Na 96.3(4) 1_546 3_566 ?
T2M OA2 T2O 126.8(8) . 1_565 ?
T2M OA2 Na 123.5(5) . . ?
T2O OA2 Na 109.1(5) 1_565 . ?
T2O OBO T1O 136.2(11) . 1_655 ?
T2O OBO Na 123.4(6) . 3_665 ?
T1O OBO Na 100.0(8) 1_655 3_665 ?
T2M OBM T1M 159.9(15) . 1_655 ?
T2M OBM Na 108.9(5) . 3_675 ?
T1M OBM Na 85.9(6) 1_655 3_675 ?
T2M OCO T1O 126.8(4) 2_445 . ?
T2M OCO Na 78.0(3) 2_445 2_445 ?
T1O OCO Na 145.4(10) . 2_445 ?
T2O OCM T1M 133.6(11) 2_455 . ?
T2O OCM Na 86.1(4) 2_455 2_445 ?
T1M OCM Na 135.9(4) . 2_445 ?
T2M ODO T1O 135.7(7) 3_666 . ?
T2M ODO Na 128.1(6) 3_666 1_545 ?
T1O ODO Na 96.2(9) . 1_545 ?
T1M ODM T2O 149.8(7) . 3_666 ?
T1M ODM Na 92.1(7) . . ?
T2O ODM Na 116.2(6) 3_666 . ?
 
_diffrn_measured_fraction_theta_max    0.304
_diffrn_reflns_theta_full              31.50
_diffrn_measured_fraction_theta_full   0.304
_refine_diff_density_max    0.800
_refine_diff_density_min   -0.733
_refine_diff_density_rms    0.177
