# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2010 data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Jian Zhang' _publ_contact_author_email ZHJ@FJIRSM.AC.CN _publ_section_title ; New Mimic of Zeolite: Inorganic Cation Templated Heterometallic Organic Framework ; loop_ _publ_author_name 'Jian Zhang.' 'Yu-Biao Chen.' 'Yao Kang.' # Attachment 'crystaldata.cif' data_1 _database_code_depnum_ccdc_archive 'CCDC 239090' #TrackingRef 'crystaldata.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C20 H32 Cu Na2 O32 Zn4' _chemical_formula_sum 'C20 H32 Cu Na2 O32 Zn4' _chemical_formula_weight 1155.46 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 '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' 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' Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 20.4960(6) _cell_length_b 16.7496(5) _cell_length_c 11.2622(4) _cell_angle_alpha 90.00 _cell_angle_beta 111.842(2) _cell_angle_gamma 90.00 _cell_volume 3588.8(2) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 3228 _cell_measurement_theta_min 1.62 _cell_measurement_theta_max 25.04 _exptl_crystal_description prismatic _exptl_crystal_colour azury _exptl_crystal_size_max .32 _exptl_crystal_size_mid .30 _exptl_crystal_size_min .20 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.139 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2316 _exptl_absorpt_coefficient_mu 3.360 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details 'SADABS (Sheldrick, 1996)' _exptl_absorpt_correction_T_min .6922 _exptl_absorpt_correction_T_max 1.0000 _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 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number none _diffrn_standards_interval_count none _diffrn_standards_interval_time none _diffrn_standards_decay_% none _diffrn_reflns_number 5474 _diffrn_reflns_av_R_equivalents 0.0298 _diffrn_reflns_av_sigmaI/netI 0.0379 _diffrn_reflns_limit_h_min -24 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 19 _diffrn_reflns_limit_l_min -13 _diffrn_reflns_limit_l_max 13 _diffrn_reflns_theta_min 1.62 _diffrn_reflns_theta_max 25.04 _reflns_number_total 3153 _reflns_number_gt 2643 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Siemens SMART' _computing_cell_refinement 'Siemens SMART & SAINT' _computing_data_reduction 'Siemens XPREP' _computing_structure_solution 'Siemens SHELXTL' _computing_structure_refinement 'Siemens SHELXTL' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0758P)^2^+28.3502P] 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 constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 3153 _refine_ls_number_parameters 274 _refine_ls_number_restraints 0 _refine_ls_R_factor_ref 0.0605 _refine_ls_R_factor_gt 0.0474 _refine_ls_wR_factor_ref 0.1321 _refine_ls_wR_factor_gt 0.1197 _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_restrained_S_all 1.047 _refine_ls_shift/su_max 0.001 _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 Cu1 Cu 0.5000 0.5000 1.5000 0.0135(2) Uani 1 2 d S . . Zn1 Zn 0.34657(3) 0.51436(3) 1.53954(6) 0.0163(2) Uani 1 1 d . . . Zn2 Zn 0.5000 0.38753(5) 1.7500 0.0168(2) Uani 1 2 d S . . Zn3 Zn 0.5000 0.57555(5) 1.7500 0.0137(2) Uani 1 2 d S . . C1 C 0.2252(3) 0.3348(3) 1.6117(5) 0.0185(11) Uani 1 1 d . . . C2 C 0.2502(3) 0.3189(3) 1.7422(5) 0.0170(11) Uani 1 1 d . . . C3 C 0.2207(3) 0.2562(3) 1.7865(5) 0.0217(12) Uani 1 1 d . . . H3A H 0.2367 0.2461 1.8739 0.026 Uiso 1 1 calc R . . C4 C 0.1685(3) 0.2089(3) 1.7045(5) 0.0151(10) Uani 1 1 d . . . C5 C 0.1461(3) 0.2223(3) 1.5720(5) 0.0154(10) Uani 1 1 d . . . C6 C 0.1736(3) 0.2851(3) 1.5277(5) 0.0164(10) Uani 1 1 d . . . H6A H 0.1577 0.2949 1.4402 0.020 Uiso 1 1 calc R . . C7 C 0.2527(3) 0.4023(3) 1.5560(5) 0.0238(12) Uani 1 1 d . . . C8 C 0.3063(3) 0.3663(3) 1.8413(5) 0.0188(11) Uani 1 1 d . . . C9 C 0.1331(3) 0.1488(3) 1.7602(5) 0.0152(10) Uani 1 1 d . . . C10 C 0.0961(3) 0.1651(3) 1.4801(5) 0.0159(11) Uani 1 1 d . . . O1 O 0.2171(3) 0.4270(3) 1.4484(5) 0.0604(17) Uani 1 1 d . . . OW1 O 0.4405(5) 0.0698(5) 1.6113(9) 0.118(3) Uani 1 1 d . . . O2 O 0.3124(2) 0.4309(2) 1.6233(4) 0.0240(9) Uani 1 1 d . . . OW2 O 0.4087(3) 0.1893(3) 1.8303(6) 0.0564(14) Uani 1 1 d . . . O3 O 0.2885(2) 0.4330(2) 1.8748(4) 0.0242(9) Uani 1 1 d . . . OW3 O 0.1314(8) 0.6005(10) 1.4007(13) 0.216(7) Uani 1 1 d . . . O4 O 0.3649(2) 0.3344(3) 1.8903(4) 0.0352(11) Uani 1 1 d . . . OW4 O 0.0584(7) 0.5514(8) 1.1243(13) 0.180(5) Uani 1 1 d . . . O5 O 0.17110(19) 0.0996(2) 1.8392(4) 0.0232(8) Uani 1 1 d . . . OW5 O 0.1895(3) 0.4320(4) 1.1625(8) 0.082(2) Uani 1 1 d . . . O6 O 0.06777(18) 0.1565(2) 1.7249(3) 0.0212(8) Uani 1 1 d . . . OW6 O 0.0043(6) 0.3052(5) 0.8909(9) 0.127(3) Uani 1 1 d . . . O7 O 0.0975(2) 0.0931(2) 1.5111(4) 0.0222(8) Uani 1 1 d . . . O8 O 0.0555(2) 0.1931(2) 1.3738(3) 0.0248(9) Uani 1 1 d . . . O9 O 0.44037(17) 0.5623(2) 1.5622(3) 0.0127(7) Uani 1 1 d . . . O10 O 0.54693(18) 0.4688(2) 1.6836(3) 0.0160(7) Uani 1 1 d . . . Na1 Na 0.5000 0.1795(2) 1.7500 0.0426(9) Uani 1 2 d S . . Na2 Na 0.1676(4) 0.5185(4) 1.2881(7) 0.0628(18) Uani 0.50 1 d P . . 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 Cu1 0.0169(5) 0.0168(4) 0.0064(4) -0.0003(3) 0.0038(3) 0.0034(3) Zn1 0.0182(3) 0.0158(3) 0.0141(3) 0.0015(2) 0.0051(3) -0.0024(2) Zn2 0.0251(5) 0.0113(4) 0.0084(4) 0.000 -0.0001(3) 0.000 Zn3 0.0153(4) 0.0152(4) 0.0078(4) 0.000 0.0011(3) 0.000 C1 0.022(3) 0.016(3) 0.015(3) 0.001(2) 0.005(2) -0.003(2) C2 0.022(3) 0.013(3) 0.016(3) -0.003(2) 0.006(2) -0.005(2) C3 0.030(3) 0.025(3) 0.006(2) 0.000(2) 0.002(2) -0.010(2) C4 0.017(2) 0.014(3) 0.010(2) 0.001(2) 0.001(2) -0.006(2) C5 0.016(2) 0.016(3) 0.012(3) -0.003(2) 0.003(2) -0.003(2) C6 0.024(3) 0.014(2) 0.009(2) 0.001(2) 0.004(2) -0.004(2) C7 0.032(3) 0.019(3) 0.018(3) -0.005(2) 0.007(2) -0.014(2) C8 0.026(3) 0.019(3) 0.014(3) 0.000(2) 0.010(2) -0.004(2) C9 0.022(3) 0.013(2) 0.009(2) -0.005(2) 0.005(2) -0.005(2) C10 0.023(3) 0.015(3) 0.009(2) -0.003(2) 0.005(2) -0.003(2) O1 0.072(4) 0.054(3) 0.033(3) 0.024(2) -0.006(3) -0.034(3) OW1 0.109(6) 0.074(5) 0.118(7) -0.045(5) -0.020(5) 0.011(5) O2 0.030(2) 0.021(2) 0.026(2) 0.0008(17) 0.0154(18) -0.0086(16) OW2 0.061(3) 0.039(3) 0.082(4) -0.006(3) 0.041(3) 0.002(2) O3 0.026(2) 0.022(2) 0.0162(19) -0.0061(16) -0.0016(16) 0.0000(16) OW3 0.193(14) 0.254(17) 0.156(12) 0.066(12) 0.015(10) 0.030(13) O4 0.025(2) 0.026(2) 0.043(3) -0.017(2) -0.001(2) -0.0001(18) OW4 0.177(12) 0.161(11) 0.172(12) 0.041(10) 0.030(9) -0.022(10) O5 0.024(2) 0.022(2) 0.025(2) 0.0113(17) 0.0108(17) 0.0014(16) OW5 0.064(4) 0.056(4) 0.134(7) 0.004(4) 0.046(4) -0.004(3) O6 0.0196(19) 0.022(2) 0.019(2) 0.0045(16) 0.0031(16) -0.0013(15) OW6 0.168(9) 0.113(7) 0.103(7) -0.030(6) 0.053(7) -0.061(7) O7 0.032(2) 0.0106(18) 0.021(2) -0.0002(15) 0.0063(17) -0.0054(16) O8 0.031(2) 0.020(2) 0.0131(19) -0.0031(16) -0.0031(16) -0.0067(16) O9 0.0157(17) 0.0136(17) 0.0077(17) -0.0004(13) 0.0030(14) 0.0004(14) O10 0.0191(18) 0.0193(18) 0.0064(17) 0.0017(14) 0.0010(14) 0.0006(15) Na1 0.044(2) 0.036(2) 0.050(2) 0.000 0.0194(19) 0.000 Na2 0.064(4) 0.072(5) 0.043(4) 0.009(3) 0.008(3) 0.000(3) _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 Cu1 O9 1.926(3) . yes Cu1 O9 1.926(3) 5_668 No Cu1 O10 1.998(3) 5_668 No Cu1 O10 1.998(3) . yes Cu1 Zn3 3.0868(3) . yes Cu1 Zn3 3.0868(3) 5_668 No Zn1 O2 1.956(4) . yes Zn1 O3 1.998(4) 6_565 yes Zn1 O9 2.010(3) . yes Zn1 O5 2.098(4) 4_558 yes Zn1 O7 2.316(4) 7_558 yes Zn2 O10 1.968(4) 2_658 No Zn2 O10 1.968(4) . yes Zn2 O8 1.970(4) 7_558 yes Zn2 O8 1.970(4) 8_556 No Zn2 Zn3 3.1493(11) . yes Zn2 Na1 3.485(4) . yes Zn3 O9 2.023(3) . yes Zn3 O9 2.023(3) 2_658 No Zn3 O6 2.035(4) 4_558 No Zn3 O6 2.035(4) 3 yes Zn3 O10 2.284(4) 2_658 No Zn3 O10 2.284(4) . yes Zn3 Cu1 3.0868(3) 2_658 yes C1 C2 1.391(7) . yes C1 C6 1.400(7) . yes C1 C7 1.501(7) . yes C2 C3 1.393(7) . yes C2 C8 1.498(7) . yes C3 C4 1.374(7) . yes C4 C5 1.406(7) . yes C4 C9 1.508(7) . yes C5 C6 1.373(7) . yes C5 C10 1.501(7) . yes C7 O1 1.230(7) . yes C7 O2 1.269(7) . yes C8 O4 1.242(7) . yes C8 O3 1.275(7) . yes C9 O5 1.250(6) . yes C9 O6 1.254(6) . yes C10 O7 1.253(6) . yes C10 O8 1.266(6) . yes O1 Na2 2.297(8) . yes OW1 Na1 2.425(7) . yes OW2 Na1 2.367(5) . yes O3 Zn1 1.998(4) 6_566 yes O3 Na2 2.438(8) 6_566 yes OW3 Na2 2.179(19) . yes OW4 Na2 2.376(15) . yes O5 Zn1 2.098(4) 4_548 yes OW5 Na2 2.185(11) . yes O6 Zn3 2.035(4) 3_445 yes O7 Zn1 2.316(4) 7_558 yes O8 Zn2 1.970(4) 7_558 yes O8 Na1 2.573(5) 7_558 yes Na1 OW2 2.367(5) 2_658 yes Na1 OW1 2.425(7) 2_658 yes Na1 O8 2.573(5) 8_556 yes Na1 O8 2.573(5) 7_558 yes Na2 O3 2.438(8) 6_565 yes 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 O9 Cu1 O9 180.00(16) . 5_668 yes O9 Cu1 O10 96.22(14) . 5_668 yes O9 Cu1 O10 83.78(14) 5_668 5_668 No O9 Cu1 O10 83.78(14) . . yes O9 Cu1 O10 96.22(14) 5_668 . No O10 Cu1 O10 180.000(1) 5_668 . yes O9 Cu1 Zn3 39.73(10) . . yes O9 Cu1 Zn3 140.27(10) 5_668 . yes O10 Cu1 Zn3 132.32(10) 5_668 . yes O10 Cu1 Zn3 47.68(10) . . No O9 Cu1 Zn3 140.27(10) . 5_668 yes O9 Cu1 Zn3 39.73(10) 5_668 5_668 No O10 Cu1 Zn3 47.68(10) 5_668 5_668 yes O10 Cu1 Zn3 132.32(10) . 5_668 No Zn3 Cu1 Zn3 180.0 . 5_668 yes O2 Zn1 O3 124.51(16) . 6_565 No O2 Zn1 O9 136.17(15) . . No O3 Zn1 O9 98.80(15) 6_565 . No O2 Zn1 O5 89.60(16) . 4_558 No O3 Zn1 O5 96.66(16) 6_565 4_558 No O9 Zn1 O5 91.94(14) . 4_558 No O2 Zn1 O7 82.09(15) . 7_558 No O3 Zn1 O7 107.05(15) 6_565 7_558 No O9 Zn1 O7 78.70(13) . 7_558 No O5 Zn1 O7 155.51(15) 4_558 7_558 No O10 Zn2 O10 92.5(2) 2_658 . No O10 Zn2 O8 120.51(16) 2_658 7_558 No O10 Zn2 O8 116.12(15) . 7_558 No O10 Zn2 O8 116.12(15) 2_658 8_556 No O10 Zn2 O8 120.51(16) . 8_556 No O8 Zn2 O8 93.5(2) 7_558 8_556 No O10 Zn2 Zn3 46.23(11) 2_658 . No O10 Zn2 Zn3 46.23(10) . . No O8 Zn2 Zn3 133.24(11) 7_558 . No O8 Zn2 Zn3 133.24(11) 8_556 . No O10 Zn2 Na1 133.77(11) 2_658 . No O10 Zn2 Na1 133.77(10) . . No O8 Zn2 Na1 46.76(11) 7_558 . No O8 Zn2 Na1 46.76(11) 8_556 . No Zn3 Zn2 Na1 180.000(1) . . No O9 Zn3 O9 167.43(19) . 2_658 No O9 Zn3 O6 92.30(14) . 4_558 No O9 Zn3 O6 96.08(14) 2_658 4_558 No O9 Zn3 O6 96.08(14) . 3 No O9 Zn3 O6 92.30(14) 2_658 3 No O6 Zn3 O6 96.4(2) 4_558 3 No O9 Zn3 O10 95.31(13) . 2_658 No O9 Zn3 O10 74.70(13) 2_658 2_658 No O6 Zn3 O10 94.81(14) 4_558 2_658 No O6 Zn3 O10 163.66(13) 3 2_658 No O9 Zn3 O10 74.70(13) . . No O9 Zn3 O10 95.31(13) 2_658 . No O6 Zn3 O10 163.66(14) 4_558 . No O6 Zn3 O10 94.81(14) 3 . No O10 Zn3 O10 76.97(18) 2_658 . No O9 Zn3 Cu1 37.49(9) . . No O9 Zn3 Cu1 134.73(10) 2_658 . No O6 Zn3 Cu1 129.16(10) 4_558 . No O6 Zn3 Cu1 85.13(10) 3 . No O10 Zn3 Cu1 96.94(9) 2_658 . No O10 Zn3 Cu1 40.31(8) . . No O9 Zn3 Cu1 134.73(10) . 2_658 No O9 Zn3 Cu1 37.49(9) 2_658 2_658 No O6 Zn3 Cu1 85.13(10) 4_558 2_658 No O6 Zn3 Cu1 129.16(10) 3 2_658 No O10 Zn3 Cu1 40.31(8) 2_658 2_658 No O10 Zn3 Cu1 96.94(9) . 2_658 No Cu1 Zn3 Cu1 131.60(3) . 2_658 No O9 Zn3 Zn2 83.71(10) . . No O9 Zn3 Zn2 83.71(10) 2_658 . No O6 Zn3 Zn2 131.80(11) 4_558 . No O6 Zn3 Zn2 131.80(11) 3 . No O10 Zn3 Zn2 38.49(9) 2_658 . No O10 Zn3 Zn2 38.49(9) . . No Cu1 Zn3 Zn2 65.799(13) . . No Cu1 Zn3 Zn2 65.799(13) 2_658 . No C2 C1 C6 119.3(5) . . No C2 C1 C7 122.6(5) . . No C6 C1 C7 118.1(4) . . No C1 C2 C3 119.0(5) . . No C1 C2 C8 124.4(5) . . No C3 C2 C8 116.6(5) . . No C4 C3 C2 121.8(5) . . No C3 C4 C5 119.1(5) . . No C3 C4 C9 118.7(4) . . No C5 C4 C9 122.0(4) . . No C6 C5 C4 119.5(5) . . No C6 C5 C10 120.4(5) . . No C4 C5 C10 120.0(4) . . No C5 C6 C1 121.2(5) . . No O1 C7 O2 123.2(5) . . No O1 C7 C1 119.2(5) . . No O2 C7 C1 117.6(5) . . No O4 C8 O3 125.7(5) . . No O4 C8 C2 116.8(5) . . No O3 C8 C2 117.4(5) . . No O5 C9 O6 127.1(5) . . No O5 C9 C4 117.9(4) . . No O6 C9 C4 114.9(4) . . No O7 C10 O8 124.0(5) . . No O7 C10 C5 118.9(4) . . No O8 C10 C5 117.1(4) . . No C7 O1 Na2 157.7(5) . . No C7 O2 Zn1 114.8(4) . . No C8 O3 Zn1 121.6(3) . 6_566 No C8 O3 Na2 122.2(4) . 6_566 No Zn1 O3 Na2 113.0(2) 6_566 6_566 No C9 O5 Zn1 134.4(3) . 4_548 No C9 O6 Zn3 126.2(3) . 3_445 No C10 O7 Zn1 129.9(3) . 7_558 No C10 O8 Zn2 114.8(3) . 7_558 No C10 O8 Na1 145.3(3) . 7_558 No Zn2 O8 Na1 99.34(15) 7_558 7_558 No Cu1 O9 Zn1 116.32(16) . . No Cu1 O9 Zn3 102.78(15) . . No Zn1 O9 Zn3 110.71(15) . . No Zn2 O10 Cu1 117.32(17) . . No Zn2 O10 Zn3 95.28(14) . . No Cu1 O10 Zn3 92.01(13) . . No OW2 Na1 OW2 172.0(3) 2_658 . No OW2 Na1 OW1 94.9(3) 2_658 . No OW2 Na1 OW1 91.1(3) . . No OW2 Na1 OW1 91.1(3) 2_658 2_658 No OW2 Na1 OW1 94.9(3) . 2_658 No OW1 Na1 OW1 81.6(4) . 2_658 No OW2 Na1 O8 84.04(18) 2_658 8_556 No OW2 Na1 O8 89.35(18) . 8_556 No OW1 Na1 O8 173.0(3) . 8_556 No OW1 Na1 O8 105.3(2) 2_658 8_556 No OW2 Na1 O8 89.35(18) 2_658 7_558 No OW2 Na1 O8 84.04(18) . 7_558 No OW1 Na1 O8 105.3(2) . 7_558 No OW1 Na1 O8 173.0(3) 2_658 7_558 No O8 Na1 O8 67.82(18) 8_556 7_558 No OW2 Na1 Zn2 86.02(16) 2_658 . No OW2 Na1 Zn2 86.02(16) . . No OW1 Na1 Zn2 139.2(2) . . No OW1 Na1 Zn2 139.2(2) 2_658 . No O8 Na1 Zn2 33.91(9) 8_556 . No O8 Na1 Zn2 33.91(9) 7_558 . No OW3 Na2 OW5 172.5(6) . . No OW3 Na2 O1 96.3(5) . . No OW5 Na2 O1 86.0(4) . . No OW3 Na2 OW4 83.0(6) . . No OW5 Na2 OW4 90.7(5) . . No O1 Na2 OW4 141.1(5) . . No OW3 Na2 O3 94.1(5) . 6_565 No OW5 Na2 O3 93.3(3) . 6_565 No O1 Na2 O3 79.7(3) . 6_565 No OW4 Na2 O3 139.2(4) . 6_565 No _diffrn_measured_fraction_theta_max 0.992 _diffrn_reflns_theta_full 25.04 _diffrn_measured_fraction_theta_full 0.992 _refine_diff_density_max 0.975 _refine_diff_density_min -1.266 _refine_diff_density_rms 0.215