 
data_1 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_formula_sum 
 'B8 Cd7 Na2 O20' 
_chemical_formula_weight          1239.26 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'B'  'B'   0.0013   0.0007 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 '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' 
 'Cd'  'Cd'  -0.8075   1.2024 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            orthorhombic 
_symmetry_space_group_name_H-M    Fdd2 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, z' 
 'x+1/4, -y+1/4, z+1/4' 
 '-x+1/4, y+1/4, z+1/4' 
 'x, y+1/2, z+1/2' 
 '-x, -y+1/2, z+1/2' 
 'x+1/4, -y+3/4, z+3/4' 
 '-x+1/4, y+3/4, z+3/4' 
 'x+1/2, y, z+1/2' 
 '-x+1/2, -y, z+1/2' 
 'x+3/4, -y+1/4, z+3/4' 
 '-x+3/4, y+1/4, z+3/4' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, -y+1/2, z' 
 'x+3/4, -y+3/4, z+1/4' 
 '-x+3/4, y+3/4, z+1/4' 
 
_cell_length_a                    51.5597(7) 
_cell_length_b                    58.6920(8) 
_cell_length_c                    3.381 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      10231.4(2) 
_cell_formula_units_Z             24 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used    9699
_cell_measurement_theta_min        2.47
_cell_measurement_theta_max       27.46

_exptl_crystal_description        sheet 
_exptl_crystal_colour             white 
_exptl_crystal_size_max           0.12 
_exptl_crystal_size_mid           0.03 
_exptl_crystal_size_min           0.01 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     4.828 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              13392 
_exptl_absorpt_coefficient_mu     8.726 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.4335 
_exptl_absorpt_correction_T_max   0.9414 
_exptl_absorpt_process_details    sadabs
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       296(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_reflns_number             41380 
_diffrn_reflns_av_R_equivalents   0.0551 
_diffrn_reflns_av_sigmaI/netI     0.0397 
_diffrn_reflns_limit_h_min        -66 
_diffrn_reflns_limit_h_max        64 
_diffrn_reflns_limit_k_min        -76 
_diffrn_reflns_limit_k_max        74 
_diffrn_reflns_limit_l_min        -4 
_diffrn_reflns_limit_l_max        4 
_diffrn_reflns_theta_min          1.05 
_diffrn_reflns_theta_max          27.47 
_reflns_number_total              5788 
_reflns_number_gt                 5196 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection      'Bruker SMART'
_computing_cell_refinement      'Bruker SMART'
_computing_data_reduction       'Bruker SAINT'
_computing_structure_solution   'Bruker SHELXTL'
_computing_structure_refinement 'Bruker SHELXTL'
_computing_molecular_graphics   'Bruker SHELXTL'
_computing_publication_material 'Bruker SHELXTL'
 
_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)+(0.0450P)²+1285.8696P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.47(7) 
_refine_ls_number_reflns          5788 
_refine_ls_number_parameters      506 
_refine_ls_number_restraints      92 
_refine_ls_R_factor_all           0.0507 
_refine_ls_R_factor_gt            0.0412 
_refine_ls_wR_factor_ref          0.1074 
_refine_ls_wR_factor_gt           0.1016 
_refine_ls_goodness_of_fit_ref    1.063 
_refine_ls_restrained_S_all       1.054 
_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 0.19945(2) 0.14333(2) -0.3227(4) 0.0134(3) Uani 0.276(3) 1 d P . 1 
Na2 Na 0.15091(3) 0.17879(2) -0.1220(4) 0.0065(4) Uani 0.456(5) 1 d P . 1 
Na3 Na 0.27337(2) 0.02467(2) 0.9857(4) 0.0066(4) Uani 0.393(5) 1 d P . 1 
Na4 Na 0.18792(2) 0.21872(2) 0.3573(4) 0.0070(4) Uani 0.375(5) 1 d P . 1 
Cd1 Cd 0.19945(2) 0.14333(2) -0.3227(4) 0.0134(3) Uani 0.724(3) 1 d P . 2 
Cd2 Cd 0.15091(3) 0.17879(2) -0.1220(4) 0.0065(4) Uani 0.544(5) 1 d P . 2 
Cd3 Cd 0.27337(2) 0.02467(2) 0.9857(4) 0.0066(4) Uani 0.607(5) 1 d P . 2 
Cd4 Cd 0.18792(2) 0.21872(2) 0.3573(4) 0.0070(4) Uani 0.625(5) 1 d P . 2 
Na5 Na 0.0000 0.0000 0.330(8) 0.123(7) Uani 1 2 d SU . . 
Na6 Na 0.3326(3) 0.0068(3) 0.454(7) 0.142(6) Uani 1 1 d U . . 
Cd5 Cd 0.179825(19) 0.091832(17) 0.0954(3) 0.0165(2) Uani 1 1 d . . . 
Cd6 Cd 0.120230(19) 0.100430(16) -0.2734(3) 0.0140(2) Uani 1 1 d . . . 
Cd7 Cd 0.070936(18) 0.059006(16) 0.1654(3) 0.0121(2) Uani 1 1 d . . . 
Cd8 Cd 0.10810(2) 0.017095(16) 0.6554(3) 0.0158(2) Uani 1 1 d . . . 
Cd9 Cd 0.092360(18) 0.149290(16) -0.7660(3) 0.0121(2) Uani 1 1 d . . . 
Cd10 Cd 0.012429(18) 0.093368(16) 0.0944(3) 0.0120(2) Uani 1 1 d . . . 
Cd11 Cd 0.03232(2) 0.143285(18) -0.3712(3) 0.0202(2) Uani 1 1 d . . . 
Cd12 Cd 0.234880(18) 0.062984(16) 0.5194(3) 0.0122(2) Uani 1 1 d . . . 
O1 O 0.23114(15) 0.03595(15) 0.984(3) 0.0104(19) Uani 1 1 d . . . 
O2 O 0.08063(17) 0.08487(15) -0.348(3) 0.016(2) Uani 1 1 d . . . 
O3 O 0.27739(17) 0.05197(15) 1.473(3) 0.015(2) Uani 1 1 d . . . 
O4 O 0.07864(19) 0.12508(15) -0.273(3) 0.015(2) Uani 1 1 d . . . 
O5 O 0.18970(17) 0.06600(15) 0.576(3) 0.014(2) Uani 1 1 d . . . 
O6 O 0.14708(17) 0.20553(15) 0.399(3) 0.017(2) Uani 1 1 d . . . 
O7 O 0.06849(17) 0.03187(15) 0.672(3) 0.0137(19) Uani 1 1 d . . . 
O8 O 0.11198(16) 0.04428(15) 0.162(3) 0.0124(18) Uani 1 1 d . . . 
O9 O 0.19631(17) 0.19178(16) -0.144(3) 0.018(2) Uani 1 1 d . . . 
O10 O 0.12672(17) 0.12803(15) -0.758(3) 0.016(2) Uani 1 1 d . . . 
O11 O 0.11929(19) -0.00572(16) 1.145(3) 0.017(2) Uani 1 1 d . . . 
O12 O 0.13843(16) 0.07752(14) 0.175(3) 0.0109(18) Uani 1 1 d U . . 
O13 O 0.2378(2) 0.08767(16) 0.033(3) 0.027(3) Uani 1 1 d . . . 
O14 O 0.16283(19) 0.15379(16) 0.352(3) 0.018(2) Uani 1 1 d . . . 
O15 O 0.2851(2) 0.00238(15) 0.497(3) 0.020(2) Uani 1 1 d . . . 
O16 O 0.21031(18) 0.11944(17) 0.174(3) 0.020(2) Uani 1 1 d . . . 
O17 O 0.18876(17) 0.02629(15) 0.736(3) 0.016(2) Uani 1 1 d . . . 
O18 O 0.31823(18) 0.05033(16) 1.179(4) 0.019(2) Uani 1 1 d . . . 
O19 O 0.04012(18) 0.10458(16) -0.419(3) 0.015(2) Uani 1 1 d . . . 
O20 O 0.05247(17) 0.16373(15) -0.829(3) 0.017(2) Uani 1 1 d . . . 
O21 O 0.02777(19) 0.05875(16) 0.059(3) 0.019(2) Uani 1 1 d . . . 
O22 O 0.16342(18) 0.11599(15) -0.400(3) 0.0142(19) Uani 1 1 d . . . 
O23 O 0.1953(2) 0.24287(15) -0.141(3) 0.021(2) Uani 1 1 d . . . 
O24 O 0.10441(17) 0.21569(15) 0.648(3) 0.017(2) Uani 1 1 d . . . 
O25 O 0.23208(17) 0.16600(15) -0.157(3) 0.015(2) Uani 1 1 d . . . 
O26 O 0.23748(19) 0.20557(16) 0.030(4) 0.027(3) Uani 1 1 d . . . 
O27 O 0.10504(18) 0.17530(15) -1.231(3) 0.0132(19) Uani 1 1 d . . . 
O28 O 0.15270(18) 0.04193(15) 0.447(3) 0.018(2) Uani 1 1 d . . . 
O29 O 0.02388(17) 0.02097(15) 0.779(3) 0.016(2) Uani 1 1 d . . . 
O30 O 0.00451(17) 0.13008(15) 0.119(3) 0.0146(19) Uani 1 1 d . . . 
B1 B 0.0495(3) 0.0151(2) 0.688(5) 0.013(3) Uani 1 1 d U . . 
B2 B 0.1283(3) 0.2215(2) 0.469(5) 0.010(3) Uani 1 1 d U . . 
B3 B 0.1341(3) 0.0553(2) 0.261(4) 0.010(3) Uani 1 1 d U . . 
B4 B 0.2984(3) 0.0635(2) 1.377(5) 0.012(3) Uani 1 1 d U . . 
B5 B 0.1777(3) 0.0457(2) 0.589(5) 0.011(3) Uani 1 1 d U . . 
B6 B 0.1509(3) 0.1328(2) -0.606(5) 0.011(3) Uani 1 1 d U . . 
B7 B 0.3433(3) 0.0544(2) 1.030(4) 0.008(3) Uani 1 1 d U . . 
B8 B 0.2126(3) 0.0200(3) 0.916(5) 0.014(3) Uani 1 1 d U . . 
B9 B 0.2218(3) 0.1870(2) -0.093(5) 0.009(3) Uani 1 1 d U . . 
B10 B 0.0662(3) 0.1049(2) -0.353(5) 0.010(3) Uani 1 1 d U . . 
B11 B 0.2335(3) 0.1093(2) 0.194(5) 0.009(3) Uani 1 1 d U . . 
B12 B 0.0148(3) 0.0431(2) -0.138(5) 0.012(3) Uani 1 1 d U . . 
 
 
_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 O25 2.217(9) . ? 
Na1 O16 2.259(11) . ? 
Na1 O14 2.270(9) 1_554 ? 
Na1 O16 2.275(11) 1_554 ? 
Na1 O22 2.469(9) . ? 
Na1 O9 2.911(10) . ? 
Na2 O14 2.258(10) . ? 
Na2 O6 2.263(10) 1_554 ? 
Na2 O6 2.368(11) . ? 
Na2 O14 2.386(11) 1_554 ? 
Na2 O27 2.403(9) 1_556 ? 
Na2 O9 2.463(9) . ? 
Na3 O15 2.193(10) . ? 
Na3 O15 2.250(10) 1_556 ? 
Na3 O1 2.276(8) . ? 
Na3 O3 2.307(10) . ? 
Na3 O3 2.370(10) 1_554 ? 
Na3 O18 2.836(10) . ? 
Na4 O23 2.233(11) . ? 
Na4 O23 2.243(10) 1_556 ? 
Na4 O6 2.248(9) . ? 
Na4 O9 2.351(10) 1_556 ? 
Na4 O9 2.358(11) . ? 
Na4 O26 2.890(11) . ? 
Na5 O29 2.31(2) . ? 
Na5 O29 2.31(2) 2 ? 
Na5 O29 2.55(2) 1_554 ? 
Na5 O29 2.55(2) 2_554 ? 
Na5 O23 3.006(14) 8_545 ? 
Na5 O23 3.006(14) 11_455 ? 
Na6 O17 2.35(2) 10_554 ? 
Na6 O15 2.46(2) . ? 
Na6 O24 2.48(2) 3 ? 
Na6 O11 2.56(2) 10_554 ? 
Na6 O24 2.72(2) 3_554 ? 
Na6 O18 2.82(2) 1_554 ? 
Cd5 O16 2.273(9) . ? 
Cd5 O5 2.280(10) . ? 
Cd5 O12 2.310(9) . ? 
Cd5 O22 2.350(9) . ? 
Cd5 O5 2.374(10) 1_554 ? 
Cd5 O22 2.375(10) 1_556 ? 
Cd6 O12 2.234(9) . ? 
Cd6 O2 2.251(9) . ? 
Cd6 O10 2.329(11) . ? 
Cd6 O10 2.401(10) 1_556 ? 
Cd6 O22 2.444(9) . ? 
Cd6 O12 2.482(9) 1_554 ? 
Cd6 O4 2.587(10) . ? 
Cd7 O21 2.254(9) . ? 
Cd7 O8 2.286(9) . ? 
Cd7 O2 2.293(10) 1_556 ? 
Cd7 O7 2.310(10) 1_554 ? 
Cd7 O7 2.342(10) . ? 
Cd7 O2 2.360(10) . ? 
Cd8 O11 2.205(10) . ? 
Cd8 O7 2.219(8) . ? 
Cd8 O11 2.260(10) 1_554 ? 
Cd8 O8 2.317(10) . ? 
Cd8 O8 2.349(10) 1_556 ? 
Cd9 O10 2.167(9) . ? 
Cd9 O20 2.235(9) . ? 
Cd9 O27 2.288(9) . ? 
Cd9 O4 2.302(9) . ? 
Cd9 O4 2.335(10) 1_554 ? 
Cd9 O27 2.454(9) 1_556 ? 
Cd10 O21 2.183(10) . ? 
Cd10 O30 2.195(9) . ? 
Cd10 O19 2.275(9) 1_556 ? 
Cd10 O19 2.342(10) . ? 
Cd10 O25 2.365(10) 11_455 ? 
Cd10 O25 2.371(10) 11_454 ? 
Cd11 O20 2.218(10) . ? 
Cd11 O19 2.313(9) . ? 
Cd11 O30 2.325(10) . ? 
Cd11 O30 2.371(10) 1_554 ? 
Cd11 O20 2.423(11) 1_556 ? 
Cd11 O13 2.606(12) 11_454 ? 
Cd11 O4 2.638(10) . ? 
Cd12 O13 2.196(11) . ? 
Cd12 O1 2.242(9) . ? 
Cd12 O13 2.268(11) 1_556 ? 
Cd12 O3 2.291(9) 1_554 ? 
Cd12 O5 2.344(9) . ? 
Cd12 O1 2.413(10) 1_554 ? 
B1 O23 1.357(17) 8_545 ? 
B2 O11 1.367(17) 4_554 ? 
B4 O20 1.362(17) 3_557 ? 
B6 O14 1.383(17) 1_554 ? 
B7 O27 1.339(16) 3_557 ? 
B7 O24 1.384(16) 3 ? 
B8 O15 1.346(17) 10 ? 
B11 O30 1.386(16) 3 ? 
B12 O29 1.408(16) 1_554 ? 
B12 O26 1.437(17) 11_454 ? 
 
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 
O25 Na1 O16 89.8(4) . . ? 
O25 Na1 O14 126.3(3) . 1_554 ? 
O16 Na1 O14 137.3(3) . 1_554 ? 
O25 Na1 O16 111.9(3) . 1_554 ? 
O16 Na1 O16 96.4(4) . 1_554 ? 
O14 Na1 O16 90.5(4) 1_554 1_554 ? 
O25 Na1 O22 171.1(4) . . ? 
O16 Na1 O22 82.0(3) . . ? 
O14 Na1 O22 59.9(3) 1_554 . ? 
O16 Na1 O22 72.9(3) 1_554 . ? 
O25 Na1 O9 53.4(3) . . ? 
O16 Na1 O9 117.8(3) . . ? 
O14 Na1 O9 77.9(3) 1_554 . ? 
O16 Na1 O9 140.4(4) 1_554 . ? 
O22 Na1 O9 128.0(3) . . ? 
B6 Na1 O9 103.9(3) . . ? 
O14 Na2 O6 169.1(3) . 1_554 ? 
O14 Na2 O6 85.7(4) . . ? 
O6 Na2 O6 93.7(3) 1_554 . ? 
O14 Na2 O14 93.4(3) . 1_554 ? 
O6 Na2 O14 85.2(4) 1_554 1_554 ? 
O6 Na2 O14 169.6(3) . 1_554 ? 
O14 Na2 O27 108.8(3) . 1_556 ? 
O6 Na2 O27 82.1(3) 1_554 1_556 ? 
O6 Na2 O27 95.1(3) . 1_556 ? 
O14 Na2 O27 95.0(3) 1_554 1_556 ? 
O14 Na2 O9 87.9(3) . . ? 
O6 Na2 O9 81.2(3) 1_554 . ? 
O6 Na2 O9 84.1(3) . . ? 
O14 Na2 O9 85.6(3) 1_554 . ? 
O27 Na2 O9 163.2(3) 1_556 . ? 
O14 Na2 B2 161.3(4) . 1_554 ? 
O15 Na3 O15 99.1(4) . 1_556 ? 
O15 Na3 O1 115.9(4) . . ? 
O15 Na3 O1 115.4(4) 1_556 . ? 
O15 Na3 O3 158.0(4) . . ? 
O15 Na3 O3 80.3(4) 1_556 . ? 
O1 Na3 O3 83.4(3) . . ? 
O15 Na3 O3 80.1(3) . 1_554 ? 
O15 Na3 O3 158.6(4) 1_556 1_554 ? 
O1 Na3 O3 83.4(3) . 1_554 ? 
O3 Na3 O3 92.6(3) . 1_554 ? 
O15 Na3 O18 105.3(4) . . ? 
O15 Na3 O18 85.0(4) 1_556 . ? 
O1 Na3 O18 128.8(3) . . ? 
O3 Na3 O18 52.7(3) . . ? 
O3 Na3 O18 74.8(3) 1_554 . ? 
O23 Na4 O23 98.1(4) . 1_556 ? 
O23 Na4 O6 115.1(4) . . ? 
O23 Na4 O6 109.1(4) 1_556 . ? 
O23 Na4 O9 159.4(4) . 1_556 ? 
O23 Na4 O9 81.5(4) 1_556 1_556 ? 
O6 Na4 O9 84.0(3) . 1_556 ? 
O23 Na4 O9 81.5(4) . . ? 
O23 Na4 O9 159.5(4) 1_556 . ? 
O6 Na4 O9 89.2(3) . . ? 
O9 Na4 O9 91.8(3) 1_556 . ? 
O23 Na4 O26 74.4(4) . . ? 
O23 Na4 O26 108.0(4) 1_556 . ? 
O6 Na4 O26 139.5(3) . . ? 
O9 Na4 O26 86.1(3) 1_556 . ? 
O9 Na4 O26 51.9(3) . . ? 
O29 Na5 O29 97.8(12) . 2 ? 
O29 Na5 O29 88.0(3) . 1_554 ? 
O29 Na5 O29 174.2(10) 2 1_554 ? 
O29 Na5 O29 174.2(10) . 2_554 ? 
O29 Na5 O29 88.0(3) 2 2_554 ? 
O29 Na5 O29 86.1(10) 1_554 2_554 ? 
O29 Na5 O23 50.7(4) . 8_545 ? 
O29 Na5 O23 102.7(8) 2 8_545 ? 
O29 Na5 O23 81.0(3) 1_554 8_545 ? 
O29 Na5 O23 128.0(5) 2_554 8_545 ? 
B1 Na5 O23 26.3(3) . 8_545 ? 
B1 Na5 O23 129.7(9) 2 8_545 ? 
O29 Na5 O23 102.7(8) . 11_455 ? 
O29 Na5 O23 50.7(4) 2 11_455 ? 
O29 Na5 O23 128.0(5) 1_554 11_455 ? 
O29 Na5 O23 81.0(3) 2_554 11_455 ? 
B1 Na5 O23 129.7(9) . 11_455 ? 
B1 Na5 O23 26.3(3) 2 11_455 ? 
O23 Na5 O23 143.3(11) 8_545 11_455 ? 
O17 Na6 O15 57.8(5) 10_554 . ? 
O17 Na6 O24 160.4(11) 10_554 3 ? 
O15 Na6 O24 118.9(9) . 3 ? 
O17 Na6 O11 120.8(8) 10_554 10_554 ? 
O15 Na6 O11 160.6(11) . 10_554 ? 
O24 Na6 O11 54.8(5) 3 10_554 ? 
O17 Na6 O24 117.9(9) 10_554 3_554 ? 
O15 Na6 O24 120.9(8) . 3_554 ? 
O24 Na6 O24 81.0(6) 3 3_554 ? 
O11 Na6 O24 77.8(6) 10_554 3_554 ? 
O17 Na6 O18 121.5(8) 10_554 1_554 ? 
O15 Na6 O18 81.6(6) . 1_554 ? 
O24 Na6 O18 74.2(6) 3 1_554 ? 
O11 Na6 O18 111.0(7) 10_554 1_554 ? 
O24 Na6 O18 48.9(4) 3_554 1_554 ? 
B8 Na6 O18 105.9(7) 10_554 1_554 ? 
O16 Cd5 O5 103.6(4) . . ? 
O16 Cd5 O12 152.2(3) . . ? 
O5 Cd5 O12 83.2(3) . . ? 
O16 Cd5 O22 84.4(4) . . ? 
O5 Cd5 O22 171.4(3) . . ? 
O12 Cd5 O22 88.3(3) . . ? 
O16 Cd5 O5 113.2(3) . 1_554 ? 
O5 Cd5 O5 93.1(3) . 1_554 ? 
O12 Cd5 O5 93.0(3) . 1_554 ? 
O22 Cd5 O5 86.3(3) . 1_554 ? 
O16 Cd5 O22 74.7(3) . 1_556 ? 
O5 Cd5 O22 87.9(3) . 1_556 ? 
O12 Cd5 O22 78.7(3) . 1_556 ? 
O22 Cd5 O22 91.4(3) . 1_556 ? 
O5 Cd5 O22 171.5(3) 1_554 1_556 ? 
O12 Cd6 O2 102.3(3) . . ? 
O12 Cd6 O10 146.8(3) . . ? 
O2 Cd6 O10 109.5(3) . . ? 
O12 Cd6 O10 81.7(3) . 1_556 ? 
O2 Cd6 O10 118.8(3) . 1_556 ? 
O10 Cd6 O10 91.2(3) . 1_556 ? 
O12 Cd6 O22 87.7(3) . . ? 
O2 Cd6 O22 163.4(4) . . ? 
O10 Cd6 O22 59.1(3) . . ? 
O10 Cd6 O22 75.4(3) 1_556 . ? 
O12 Cd6 O12 91.4(3) . 1_554 ? 
O2 Cd6 O12 92.2(3) . 1_554 ? 
O10 Cd6 O12 78.1(3) . 1_554 ? 
O10 Cd6 O12 149.0(3) 1_556 1_554 ? 
O22 Cd6 O12 74.2(3) . 1_554 ? 
O12 Cd6 O4 133.2(3) . . ? 
O2 Cd6 O4 58.3(3) . . ? 
O10 Cd6 O4 74.4(3) . . ? 
O10 Cd6 O4 74.8(3) 1_556 . ? 
O22 Cd6 O4 123.1(3) . . ? 
O12 Cd6 O4 128.1(3) 1_554 . ? 
O21 Cd7 O8 155.6(3) . . ? 
O21 Cd7 O2 109.5(3) . 1_556 ? 
O8 Cd7 O2 93.0(3) . 1_556 ? 
O21 Cd7 O7 80.0(3) . 1_554 ? 
O8 Cd7 O7 77.6(3) . 1_554 ? 
O2 Cd7 O7 170.5(3) 1_556 1_554 ? 
O21 Cd7 O7 93.4(4) . . ? 
O8 Cd7 O7 78.3(3) . . ? 
O2 Cd7 O7 86.4(3) 1_556 . ? 
O7 Cd7 O7 93.2(3) 1_554 . ? 
O21 Cd7 O2 95.5(4) . . ? 
O8 Cd7 O2 92.5(3) . . ? 
O2 Cd7 O2 93.2(3) 1_556 . ? 
O7 Cd7 O2 85.6(4) 1_554 . ? 
O7 Cd7 O2 170.7(3) . . ? 
O11 Cd8 O7 117.3(4) . . ? 
O11 Cd8 O11 98.4(4) . 1_554 ? 
O7 Cd8 O11 119.1(4) . 1_554 ? 
O11 Cd8 O8 159.3(3) . . ? 
O7 Cd8 O8 80.1(3) . . ? 
O11 Cd8 O8 80.6(3) 1_554 . ? 
O11 Cd8 O8 81.0(4) . 1_556 ? 
O7 Cd8 O8 78.1(3) . 1_556 ? 
O11 Cd8 O8 159.7(3) 1_554 1_556 ? 
O8 Cd8 O8 92.8(3) . 1_556 ? 
O10 Cd9 O20 166.4(3) . . ? 
O10 Cd9 O27 99.1(4) . . ? 
O20 Cd9 O27 86.8(4) . . ? 
O10 Cd9 O4 83.5(4) . . ? 
O20 Cd9 O4 91.2(4) . . ? 
O27 Cd9 O4 176.2(3) . . ? 
O10 Cd9 O4 84.6(4) . 1_554 ? 
O20 Cd9 O4 83.2(4) . 1_554 ? 
O27 Cd9 O4 89.3(3) . 1_554 ? 
O4 Cd9 O4 93.6(3) . 1_554 ? 
O10 Cd9 O27 97.6(3) . 1_556 ? 
O20 Cd9 O27 94.6(4) . 1_556 ? 
O27 Cd9 O27 90.9(3) . 1_556 ? 
O4 Cd9 O27 86.1(3) . 1_556 ? 
O4 Cd9 O27 177.8(3) 1_554 1_556 ? 
O21 Cd10 O30 169.4(3) . . ? 
O21 Cd10 O19 94.6(4) . 1_556 ? 
O30 Cd10 O19 78.7(3) . 1_556 ? 
O21 Cd10 O19 90.0(4) . . ? 
O30 Cd10 O19 82.3(3) . . ? 
O19 Cd10 O19 94.1(3) 1_556 . ? 
O21 Cd10 O25 93.6(4) . 11_455 ? 
O30 Cd10 O25 94.5(3) . 11_455 ? 
O19 Cd10 O25 88.1(3) 1_556 11_455 ? 
O19 Cd10 O25 175.6(3) . 11_455 ? 
O21 Cd10 O25 89.1(3) . 11_454 ? 
O30 Cd10 O25 97.6(3) . 11_454 ? 
O19 Cd10 O25 176.2(3) 1_556 11_454 ? 
O19 Cd10 O25 86.4(3) . 11_454 ? 
O25 Cd10 O25 91.1(3) 11_455 11_454 ? 
O20 Cd11 O19 113.6(3) . . ? 
O20 Cd11 O30 165.3(3) . . ? 
O19 Cd11 O30 80.2(3) . . ? 
O20 Cd11 O30 87.3(4) . 1_554 ? 
O19 Cd11 O30 74.5(3) . 1_554 ? 
O30 Cd11 O30 92.1(3) . 1_554 ? 
O20 Cd11 O20 93.4(3) . 1_556 ? 
O19 Cd11 O20 117.7(3) . 1_556 ? 
O30 Cd11 O20 83.7(3) . 1_556 ? 
O30 Cd11 O20 165.9(3) 1_554 1_556 ? 
O20 Cd11 O13 108.7(3) . 11_454 ? 
O19 Cd11 O13 126.0(3) . 11_454 ? 
O30 Cd11 O13 57.1(3) . 11_454 ? 
O30 Cd11 O13 75.7(3) 1_554 11_454 ? 
O20 Cd11 O13 90.8(3) 1_556 11_454 ? 
O20 Cd11 O4 83.3(3) . . ? 
O19 Cd11 O4 56.9(3) . . ? 
O30 Cd11 O4 109.5(3) . . ? 
O30 Cd11 O4 120.4(3) 1_554 . ? 
O20 Cd11 O4 73.6(3) 1_556 . ? 
O13 Cd11 O4 161.1(3) 11_454 . ? 
O13 Cd12 O1 176.0(4) . . ? 
O13 Cd12 O13 98.5(4) . 1_556 ? 
O1 Cd12 O13 85.4(4) . 1_556 ? 
O13 Cd12 O3 94.0(4) . 1_554 ? 
O1 Cd12 O3 86.0(3) . 1_554 ? 
O13 Cd12 O3 99.8(4) 1_556 1_554 ? 
O13 Cd12 O5 94.6(4) . . ? 
O1 Cd12 O5 84.9(3) . . ? 
O13 Cd12 O5 87.4(4) 1_556 . ? 
O3 Cd12 O5 167.9(3) 1_554 . ? 
O13 Cd12 O1 83.0(3) . 1_554 ? 
O1 Cd12 O1 93.1(3) . 1_554 ? 
O13 Cd12 O1 178.4(4) 1_556 1_554 ? 
O3 Cd12 O1 80.7(3) 1_554 1_554 ? 
O5 Cd12 O1 91.8(3) . 1_554 ? 
O23 B1 O7 122.1(12) 8_545 . ? 
O23 B1 O29 118.0(12) 8_545 . ? 
O7 B1 O29 119.9(12) . . ? 
O11 B2 O6 124.9(12) 4_554 . ? 
O11 B2 O24 113.2(11) 4_554 . ? 
O6 B2 O24 121.7(11) . . ? 
O8 B3 O12 123.1(12) . . ? 
O8 B3 O28 115.0(11) . . ? 
O12 B3 O28 121.8(12) . . ? 
O3 B4 O20 127.0(13) . 3_557 ? 
O3 B4 O18 115.0(12) . . ? 
O20 B4 O18 117.8(12) 3_557 . ? 
O5 B5 O17 124.0(12) . . ? 
O5 B5 O28 123.6(12) . . ? 
O17 B5 O28 112.4(11) . . ? 
O22 B6 O10 118.0(12) . . ? 
O22 B6 O14 118.9(12) . 1_554 ? 
O10 B6 O14 123.1(12) . 1_554 ? 
O27 B7 O24 124.1(12) 3_557 3 ? 
O27 B7 O18 125.3(12) 3_557 . ? 
O24 B7 O18 110.7(11) 3 . ? 
O15 B8 O1 125.4(13) 10 . ? 
O15 B8 O17 114.5(12) 10 . ? 
O1 B8 O17 120.2(12) . . ? 
O9 B9 O25 123.1(12) . . ? 
O9 B9 O26 115.7(11) . . ? 
O25 B9 O26 121.2(11) . . ? 
O19 B10 O4 120.3(12) . . ? 
O19 B10 O2 121.1(11) . . ? 
O4 B10 O2 118.5(11) . . ? 
O16 B11 O30 121.3(12) . 3 ? 
O16 B11 O13 121.9(12) . . ? 
O30 B11 O13 116.8(11) 3 . ? 
O21 B12 O29 125.1(12) . 1_554 ? 
O21 B12 O26 123.8(12) . 11_454 ? 
O29 B12 O26 109.8(11) 1_554 11_454 ? 

 
_diffrn_measured_fraction_theta_max    0.998 
_diffrn_reflns_theta_full              27.47 
_diffrn_measured_fraction_theta_full   0.998 
_refine_diff_density_max    3.899 
_refine_diff_density_min   -2.185 
_refine_diff_density_rms    0.342 
