#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:12:22 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180416 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/85/7208546.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7208546
loop_
_publ_author_name
'Liu, Ying-Ying'
'Chen, Chun'
'Ma, Jian-Fang'
'Yang, Jin'
_publ_section_title
;
 A series of complexes constructed by different calix[4]arene derivatives
;
_journal_issue                   19
_journal_name_full               CrystEngComm
_journal_page_first              6201
_journal_paper_doi               10.1039/c2ce25650a
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C154 H146 N4 Na6 O59 Zn6'
_chemical_formula_weight         3526.91
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                116.355(4)
_cell_angle_beta                 96.267(3)
_cell_angle_gamma                102.994(5)
_cell_formula_units_Z            1
_cell_length_a                   14.767(3)
_cell_length_b                   17.448(4)
_cell_length_c                   17.880(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3905(2)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0967
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28835
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.22
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    1.017
_exptl_absorpt_correction_T_max  0.8624
_exptl_absorpt_correction_T_min  0.8225
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.974
_refine_diff_density_min         -0.867
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.844
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1054
_refine_ls_number_reflns         17847
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      0.868
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0603P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1124
_reflns_number_gt                9140
_reflns_number_total             17847
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25650a.txt
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7208546
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Zn1 Zn 0.27453(3) -0.12598(2) -0.10672(2) 0.04072(12) Uani 1 1 d .
Zn2 Zn -0.05416(2) -0.42003(2) -0.10116(2) 0.03337(10) Uani 1 1 d .
Zn3 Zn 0.42954(3) -0.03166(3) 0.06346(2) 0.05163(14) Uani 1 1 d .
Na1 Na -0.15979(8) -0.77810(7) -0.20785(7) 0.0331(3) Uani 1 1 d .
Na2 Na 0.32013(8) -0.32038(8) -0.24735(7) 0.0366(3) Uani 1 1 d .
Na3 Na -0.15924(9) -0.59330(9) -0.03295(8) 0.0481(4) Uani 1 1 d .
C1 C -0.1395(2) -0.97892(19) -0.22761(17) 0.0301(7) Uani 1 1 d .
C2 C -0.2183(2) -1.0553(2) -0.27664(18) 0.0334(8) Uani 1 1 d .
C3 C -0.1994(3) -1.1368(2) -0.3226(2) 0.0414(9) Uani 1 1 d .
H3 H -0.2502 -1.1895 -0.3549 0.050 Uiso 1 1 calc R
C4 C -0.1071(3) -1.1404(2) -0.3210(2) 0.0469(9) Uani 1 1 d .
H4 H -0.0960 -1.1956 -0.3493 0.056 Uiso 1 1 calc R
C5 C -0.0316(2) -1.0630(2) -0.27779(19) 0.0388(8) Uani 1 1 d .
H5 H 0.0303 -1.0660 -0.2794 0.047 Uiso 1 1 calc R
C6 C -0.0457(2) -0.9802(2) -0.23152(18) 0.0329(7) Uani 1 1 d .
C7 C 0.0399(2) -0.8949(2) -0.19489(19) 0.0368(8) Uani 1 1 d .
H7A H 0.0251 -0.8446 -0.1514 0.044 Uiso 1 1 calc R
H7B H 0.0951 -0.9030 -0.1682 0.044 Uiso 1 1 calc R
C8 C 0.0625(2) -0.8753(2) -0.26737(19) 0.0363(8) Uani 1 1 d .
C9 C 0.1058(3) -0.9283(2) -0.3275(2) 0.0506(10) Uani 1 1 d .
H9 H 0.1280 -0.9704 -0.3193 0.061 Uiso 1 1 calc R
C10 C 0.1158(3) -0.9187(2) -0.3988(2) 0.0574(11) Uani 1 1 d .
H10 H 0.1462 -0.9534 -0.4376 0.069 Uiso 1 1 calc R
C11 C 0.0814(3) -0.8583(2) -0.4133(2) 0.0485(10) Uani 1 1 d .
H11 H 0.0851 -0.8550 -0.4635 0.058 Uiso 1 1 calc R
C12 C 0.0411(2) -0.8022(2) -0.35341(19) 0.0353(8) Uani 1 1 d .
C13 C 0.0359(2) -0.80993(19) -0.27993(18) 0.0299(7) Uani 1 1 d .
C14 C 0.0012(2) -0.7376(2) -0.3710(2) 0.0411(9) Uani 1 1 d .
H14A H -0.0086 -0.6935 -0.3181 0.049 Uiso 1 1 calc R
H14B H 0.0474 -0.7059 -0.3903 0.049 Uiso 1 1 calc R
C15 C -0.0922(2) -0.7853(2) -0.43825(19) 0.0377(8) Uani 1 1 d .
C16 C -0.0943(3) -0.8239(2) -0.5262(2) 0.0492(10) Uani 1 1 d .
H16 H -0.0371 -0.8161 -0.5433 0.059 Uiso 1 1 calc R
C17 C -0.1790(3) -0.8728(2) -0.5878(2) 0.0518(10) Uani 1 1 d .
H17 H -0.1796 -0.8936 -0.6456 0.062 Uiso 1 1 calc R
C18 C -0.2619(3) -0.8906(2) -0.5634(2) 0.0473(9) Uani 1 1 d .
H18 H -0.3180 -0.9279 -0.6057 0.057 Uiso 1 1 calc R
C19 C -0.2659(2) -0.8548(2) -0.47665(19) 0.0380(8) Uani 1 1 d .
C20 C -0.1786(2) -0.79856(19) -0.41640(17) 0.0325(8) Uani 1 1 d .
C21 C -0.3556(2) -0.8797(2) -0.4498(2) 0.0425(9) Uani 1 1 d .
H21A H -0.4103 -0.8869 -0.4905 0.051 Uiso 1 1 calc R
H21B H -0.3533 -0.8318 -0.3937 0.051 Uiso 1 1 calc R
C22 C -0.3673(2) -0.9661(2) -0.4459(2) 0.0391(8) Uani 1 1 d .
C23 C -0.3955(2) -1.0478(2) -0.5221(2) 0.0469(9) Uani 1 1 d .
H23 H -0.4082 -1.0481 -0.5743 0.056 Uiso 1 1 calc R
C24 C -0.4048(2) -1.1278(2) -0.5220(2) 0.0508(10) Uani 1 1 d .
H24 H -0.4253 -1.1814 -0.5737 0.061 Uiso 1 1 calc R
C25 C -0.3840(2) -1.1287(2) -0.4458(2) 0.0433(9) Uani 1 1 d .
H25 H -0.3908 -1.1832 -0.4463 0.052 Uiso 1 1 calc R
C26 C -0.3525(2) -1.0486(2) -0.36702(19) 0.0346(8) Uani 1 1 d .
C27 C -0.3483(2) -0.9689(2) -0.36876(19) 0.0356(8) Uani 1 1 d .
C28 C -0.3192(2) -1.0506(2) -0.28532(19) 0.0367(8) Uani 1 1 d .
H28A H -0.3613 -1.1024 -0.2860 0.044 Uiso 1 1 calc R
H28B H -0.3219 -0.9970 -0.2363 0.044 Uiso 1 1 calc R
C29 C -0.1346(2) -0.8694(2) -0.08535(17) 0.0356(8) Uani 1 1 d .
H29A H -0.1020 -0.8052 -0.0549 0.043 Uiso 1 1 calc R
H29B H -0.0898 -0.8984 -0.0747 0.043 Uiso 1 1 calc R
C30 C -0.2167(2) -0.8871(2) -0.04655(19) 0.0350(8) Uani 1 1 d .
C31 C 0.0695(2) -0.6732(2) -0.14994(18) 0.0393(8) Uani 1 1 d .
H31A H 0.0809 -0.6258 -0.1655 0.047 Uiso 1 1 calc R
H31B H 0.1293 -0.6860 -0.1414 0.047 Uiso 1 1 calc R
C32 C 0.0355(2) -0.64265(19) -0.06797(18) 0.0299(7) Uani 1 1 d .
C33 C -0.1942(3) -0.6671(2) -0.31189(19) 0.0445(9) Uani 1 1 d .
H33A H -0.2622 -0.6751 -0.3251 0.053 Uiso 1 1 calc R
H33B H -0.1657 -0.6468 -0.3488 0.053 Uiso 1 1 calc R
C34 C -0.1505(2) -0.5959(2) -0.21903(19) 0.0316(7) Uani 1 1 d .
C35 C -0.3952(2) -0.8643(2) -0.2519(2) 0.0444(9) Uani 1 1 d .
H35A H -0.4262 -0.9106 -0.2388 0.053 Uiso 1 1 calc R
H35B H -0.4424 -0.8612 -0.2918 0.053 Uiso 1 1 calc R
C36 C -0.3582(3) -0.7747(2) -0.1699(2) 0.0532(11) Uani 1 1 d .
C37 C 0.5092(2) -0.3897(2) -0.20580(19) 0.0399(9) Uani 1 1 d .
C38 C 0.4858(2) -0.4695(2) -0.20147(19) 0.0427(9) Uani 1 1 d .
C39 C 0.5520(3) -0.5165(3) -0.2150(2) 0.0548(10) Uani 1 1 d .
H39 H 0.5390 -0.5695 -0.2117 0.066 Uiso 1 1 calc R
C40 C 0.6366(3) -0.4860(3) -0.2332(2) 0.0553(11) Uani 1 1 d .
H40 H 0.6827 -0.5154 -0.2373 0.066 Uiso 1 1 calc R
C41 C 0.6530(2) -0.4119(3) -0.2452(2) 0.0526(10) Uani 1 1 d .
H41 H 0.7082 -0.3946 -0.2618 0.063 Uiso 1 1 calc R
C42 C 0.5892(2) -0.3623(2) -0.23326(19) 0.0414(9) Uani 1 1 d .
C43 C 0.6025(2) -0.2862(2) -0.2548(2) 0.0453(9) Uani 1 1 d .
H43A H 0.5753 -0.2420 -0.2177 0.054 Uiso 1 1 calc R
H43B H 0.6704 -0.2570 -0.2439 0.054 Uiso 1 1 calc R
C44 C 0.5553(2) -0.3195(2) -0.3479(2) 0.0365(8) Uani 1 1 d .
C45 C 0.5961(2) -0.3666(2) -0.4136(2) 0.0452(9) Uani 1 1 d .
H45 H 0.6535 -0.3763 -0.3996 0.054 Uiso 1 1 calc R
C46 C 0.5538(3) -0.3991(2) -0.4983(2) 0.0491(10) Uani 1 1 d .
H46 H 0.5825 -0.4303 -0.5410 0.059 Uiso 1 1 calc R
C47 C 0.4687(3) -0.3856(2) -0.5201(2) 0.0443(9) Uani 1 1 d .
H47 H 0.4405 -0.4080 -0.5778 0.053 Uiso 1 1 calc R
C48 C 0.4240(2) -0.33927(19) -0.45791(19) 0.0345(8) Uani 1 1 d .
C49 C 0.4702(2) -0.30434(19) -0.37203(18) 0.0334(8) Uani 1 1 d .
C50 C 0.3267(2) -0.3307(2) -0.48539(19) 0.0377(8) Uani 1 1 d .
H50A H 0.3144 -0.2825 -0.4372 0.045 Uiso 1 1 calc R
H50B H 0.3276 -0.3155 -0.5314 0.045 Uiso 1 1 calc R
C51 C 0.2469(2) -0.4179(2) -0.51597(18) 0.0327(7) Uani 1 1 d .
C52 C 0.2194(2) -0.4839(2) -0.60143(19) 0.0393(8) Uani 1 1 d .
H52 H 0.2466 -0.4724 -0.6414 0.047 Uiso 1 1 calc R
C53 C 0.1533(2) -0.5655(2) -0.6287(2) 0.0431(9) Uani 1 1 d .
H53 H 0.1332 -0.6077 -0.6868 0.052 Uiso 1 1 calc R
C54 C 0.1170(2) -0.5845(2) -0.5689(2) 0.0422(9) Uani 1 1 d .
H54 H 0.0755 -0.6414 -0.5870 0.051 Uiso 1 1 calc R
C55 C 0.1406(2) -0.5210(2) -0.48255(19) 0.0344(8) Uani 1 1 d .
C56 C 0.2011(2) -0.43557(19) -0.45913(17) 0.0299(7) Uani 1 1 d .
C57 C 0.1121(2) -0.5448(2) -0.4149(2) 0.0399(9) Uani 1 1 d .
H57A H 0.1061 -0.4923 -0.3668 0.048 Uiso 1 1 calc R
H57B H 0.0506 -0.5912 -0.4389 0.048 Uiso 1 1 calc R
C58 C 0.2455(2) -0.5306(2) -0.3011(2) 0.0371(8) Uani 1 1 d .
C59 C 0.1870(2) -0.5778(2) -0.3844(2) 0.0381(8) Uani 1 1 d .
C60 C 0.2010(2) -0.6578(2) -0.4402(2) 0.0480(10) Uani 1 1 d .
H60 H 0.1638 -0.6902 -0.4963 0.058 Uiso 1 1 calc R
C61 C 0.2671(3) -0.6908(3) -0.4159(3) 0.0571(11) Uani 1 1 d .
H61 H 0.2735 -0.7455 -0.4544 0.069 Uiso 1 1 calc R
C62 C 0.3239(3) -0.6427(2) -0.3340(3) 0.0533(10) Uani 1 1 d .
H62 H 0.3688 -0.6654 -0.3173 0.064 Uiso 1 1 calc R
C63 C 0.3161(2) -0.5605(2) -0.2751(2) 0.0439(9) Uani 1 1 d .
C64 C 0.3893(2) -0.5063(3) -0.1890(2) 0.0496(9) Uani 1 1 d .
H64A H 0.3689 -0.4571 -0.1504 0.060 Uiso 1 1 calc R
H64B H 0.3941 -0.5442 -0.1633 0.060 Uiso 1 1 calc R
C65 C 0.4900(3) -0.2689(3) -0.0892(2) 0.0521(10) Uani 1 1 d .
H65A H 0.5562 -0.2364 -0.0805 0.063 Uiso 1 1 calc R
H65B H 0.4887 -0.3001 -0.0557 0.063 Uiso 1 1 calc R
C66 C 0.4342(2) -0.2034(2) -0.0579(2) 0.0380(8) Uani 1 1 d .
C67 C 0.4287(2) -0.1703(2) -0.29654(19) 0.0402(8) Uani 1 1 d .
H67A H 0.3632 -0.1688 -0.3045 0.048 Uiso 1 1 calc R
H67B H 0.4552 -0.1612 -0.3403 0.048 Uiso 1 1 calc R
C68 C 0.4859(2) -0.0946(2) -0.2088(2) 0.0419(8) Uani 1 1 d U
C69 C 0.1374(2) -0.3289(2) -0.3682(2) 0.0420(9) Uani 1 1 d .
H69A H 0.0797 -0.3742 -0.3763 0.050 Uiso 1 1 calc R
H69B H 0.1272 -0.3133 -0.4135 0.050 Uiso 1 1 calc R
C70 C 0.1547(2) -0.2465(2) -0.28238(19) 0.0360(8) Uani 1 1 d .
C71 C 0.1999(3) -0.4436(3) -0.1709(2) 0.0529(10) Uani 1 1 d .
H71A H 0.2469 -0.3960 -0.1195 0.063 Uiso 1 1 calc R
H71B H 0.1948 -0.4996 -0.1701 0.063 Uiso 1 1 calc R
C72 C 0.1059(2) -0.4266(2) -0.1681(2) 0.0385(8) Uani 1 1 d .
C73 C -0.0408(2) -0.2510(2) -0.1143(2) 0.0413(9) Uani 1 1 d .
H73 H 0.0082 -0.2568 -0.1430 0.050 Uiso 1 1 calc R
C74 C -0.1502(3) -0.2747(3) -0.0508(2) 0.0505(10) Uani 1 1 d .
H74 H -0.1911 -0.3009 -0.0267 0.061 Uiso 1 1 calc R
C75 C -0.1481(3) -0.1991(3) -0.0529(2) 0.0536(10) Uani 1 1 d .
H75 H -0.1872 -0.1635 -0.0311 0.064 Uiso 1 1 calc R
C76 C -0.0511(3) -0.1091(2) -0.1120(2) 0.0527(10) Uani 1 1 d .
H76A H -0.1086 -0.0964 -0.1284 0.063 Uiso 1 1 calc R
H76B H -0.0229 -0.1287 -0.1611 0.063 Uiso 1 1 calc R
C77 C 0.0189(3) -0.0225(2) -0.0390(2) 0.0476(9) Uani 1 1 d .
H77A H 0.0756 -0.0355 -0.0215 0.057 Uiso 1 1 calc R
H77B H 0.0382 0.0194 -0.0604 0.057 Uiso 1 1 calc R
N1 N -0.08208(19) -0.30780(17) -0.08992(16) 0.0388(7) Uani 1 1 d .
N2 N -0.0788(2) -0.18340(18) -0.09236(17) 0.0422(7) Uani 1 1 d .
O1 O -0.15649(14) -0.89793(12) -0.17599(11) 0.0308(5) Uani 1 1 d .
O2 O -0.00109(13) -0.75225(12) -0.21756(12) 0.0326(5) Uani 1 1 d .
O3 O -0.18043(14) -0.75184(12) -0.33010(11) 0.0325(5) Uani 1 1 d .
O2W O -0.3103(2) -0.5724(2) -0.00961(18) 0.0604(10) Uani 0.80 1 d P
O2W' O -0.3419(7) -0.5108(6) -0.0184(6) 0.028(2) Uiso 0.20 1 d P
O4 O -0.31882(14) -0.88759(13) -0.29111(12) 0.0356(5) Uani 1 1 d .
O5 O -0.30061(16) -0.92563(16) -0.08997(13) 0.0498(7) Uani 1 1 d .
O6 O -0.19019(15) -0.85752(15) 0.03377(12) 0.0425(6) Uani 1 1 d .
O7 O 0.09456(15) -0.57440(13) -0.00170(12) 0.0397(6) Uani 1 1 d .
O8 O -0.04281(15) -0.68429(13) -0.06652(12) 0.0356(5) Uani 1 1 d .
O9 O -0.14916(15) -0.51835(14) -0.20471(13) 0.0394(6) Uani 1 1 d .
O10 O -0.11897(19) -0.61661(14) -0.16680(13) 0.0506(7) Uani 1 1 d .
O11 O -0.42031(18) -0.74147(19) -0.13944(19) 0.0874(11) Uani 1 1 d D
O12 O -0.27105(17) -0.74053(17) -0.13668(16) 0.0658(9) Uani 1 1 d .
O13 O 0.23362(15) -0.44871(14) -0.24521(13) 0.0386(5) Uani 1 1 d .
O14 O 0.45179(14) -0.33381(14) -0.17884(12) 0.0387(6) Uani 1 1 d .
O15 O 0.42883(14) -0.25634(13) -0.30739(12) 0.0343(5) Uani 1 1 d .
O16 O 0.21580(13) -0.36580(13) -0.37519(11) 0.0325(5) Uani 1 1 d .
O17 O 0.0667(2) -0.4060(2) -0.21664(18) 0.0722(8) Uani 1 1 d .
O18 O 0.07337(15) -0.43276(15) -0.10640(13) 0.0413(6) Uani 1 1 d .
O19 O 0.35619(15) -0.21662(14) -0.10336(13) 0.0398(6) Uani 1 1 d .
O20 O 0.47440(16) -0.13820(15) 0.01646(13) 0.0474(6) Uani 1 1 d .
O21 O 0.53203(17) -0.10824(16) -0.15592(14) 0.0525(7) Uani 1 1 d U
O22 O 0.48254(18) -0.01807(16) -0.19275(15) 0.0570(7) Uani 1 1 d .
O23 O 0.23330(15) -0.22123(14) -0.22882(12) 0.0390(6) Uani 1 1 d .
O24 O 0.09128(17) -0.21000(16) -0.27178(15) 0.0536(7) Uani 1 1 d .
O5W O -0.2755(13) -0.0901(12) -0.0646(11) 0.278(7) Uiso 0.50 1 d P
O1W O 0.1998(2) -0.04503(18) -0.13724(16) 0.0603(7) Uani 1 1 d D
H1A H 0.246(2) -0.033(3) -0.157(2) 0.090 Uiso 1 1 d D
H1B H 0.1501(19) -0.088(2) -0.178(2) 0.090 Uiso 1 1 d D
O3W O 0.3196(3) 0.0354(3) -0.2023(3) 0.1062(12) Uani 1 1 d D
H3A H 0.339(4) 0.0959(15) -0.157(3) 0.159 Uiso 1 1 d D
H3B H 0.367(4) 0.008(4) -0.214(4) 0.159 Uiso 1 1 d D
O4W O -0.6280(5) -0.7781(6) -0.1928(9) 0.310(8) Uani 0.70 1 d PD
O4W' O -0.6186(6) -0.7849(9) -0.1382(7) 0.081(4) Uiso 0.30 1 d PD
O25 O 0.39125(18) -0.02622(15) -0.04176(15) 0.0494(7) Uani 1 1 d .
H25A H 0.363(3) 0.009(3) -0.037(3) 0.074 Uiso 1 1 d .
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'
N N 0.0061 0.0033 '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'
Zn Zn 0.2839 1.4301 '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'
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
O25 Zn1 O6 112.84(10) . 2_545
O25 Zn1 O23 131.75(10) . .
O6 Zn1 O23 114.93(9) 2_545 .
O25 Zn1 O1W 93.47(11) . .
O6 Zn1 O1W 93.01(10) 2_545 .
O23 Zn1 O1W 90.47(9) . .
O25 Zn1 O19 88.11(10) . .
O6 Zn1 O19 97.58(9) 2_545 .
O23 Zn1 O19 79.48(8) . .
O1W Zn1 O19 167.73(9) . .
O25 Zn1 Zn3 37.66(8) . .
O6 Zn1 Zn3 82.65(7) 2_545 .
O23 Zn1 Zn3 146.40(7) . .
O1W Zn1 Zn3 118.20(7) . .
O19 Zn1 Zn3 69.56(5) . .
O25 Zn1 Na2 112.03(8) . .
O6 Zn1 Na2 114.57(7) 2_545 .
O23 Zn1 Na2 39.09(7) . .
O1W Zn1 Na2 128.47(7) . .
O19 Zn1 Na2 40.63(6) . .
Zn3 Zn1 Na2 108.28(3) . .
O25 Zn1 H25A 22.1(12) . .
O6 Zn1 H25A 106.4(12) 2_545 .
O23 Zn1 H25A 136.0(12) . .
O1W Zn1 H25A 72.4(12) . .
O19 Zn1 H25A 110.1(12) . .
Zn3 Zn1 H25A 50.9(13) . .
Na2 Zn1 H25A 130.9(12) . .
O18 Zn2 O9 110.08(9) . .
O18 Zn2 N1 120.89(11) . .
O9 Zn2 N1 104.35(10) . .
O18 Zn2 O7 111.76(9) . 2_545
O9 Zn2 O7 107.20(9) . 2_545
N1 Zn2 O7 101.48(10) . 2_545
O18 Zn2 Na3 39.30(7) . 2_545
O9 Zn2 Na3 133.70(7) . 2_545
N1 Zn2 Na3 121.07(7) . 2_545
O7 Zn2 Na3 73.94(7) 2_545 2_545
O25 Zn3 O20 99.76(10) . .
O25 Zn3 O5 103.51(10) . 2_545
O20 Zn3 O5 104.99(10) . 2_545
O25 Zn3 O21 99.80(10) . 2_655
O20 Zn3 O21 145.10(10) . 2_655
O5 Zn3 O21 98.14(9) 2_545 2_655
O25 Zn3 O22 154.55(10) . 2_655
O20 Zn3 O22 91.30(10) . 2_655
O5 Zn3 O22 95.53(9) 2_545 2_655
O21 Zn3 O22 60.36(10) 2_655 2_655
O25 Zn3 C68 128.06(12) . 2_655
O20 Zn3 C68 118.96(12) . 2_655
O5 Zn3 C68 98.56(9) 2_545 2_655
O21 Zn3 C68 30.12(11) 2_655 2_655
O22 Zn3 C68 30.26(11) 2_655 2_655
O25 Zn3 Zn1 37.37(7) . .
O20 Zn3 Zn1 87.43(6) . .
O5 Zn3 Zn1 72.89(7) 2_545 .
O21 Zn3 Zn1 124.70(8) 2_655 .
O22 Zn3 Zn1 167.54(7) 2_655 .
C68 Zn3 Zn1 153.60(10) 2_655 .
O12 Na1 O2 150.78(8) . .
O12 Na1 O1 94.22(10) . .
O2 Na1 O1 92.57(8) . .
O12 Na1 O3 108.79(11) . .
O2 Na1 O3 83.00(8) . .
O1 Na1 O3 140.09(8) . .
O12 Na1 O4 69.46(8) . .
O2 Na1 O4 139.75(8) . .
O1 Na1 O4 78.29(8) . .
O3 Na1 O4 79.94(8) . .
O12 Na1 O8 86.33(9) . .
O2 Na1 O8 66.32(7) . .
O1 Na1 O8 83.20(8) . .
O3 Na1 O8 129.10(8) . .
O4 Na1 O8 148.02(9) . .
O12 Na1 O10 79.71(10) . .
O2 Na1 O10 80.98(9) . .
O1 Na1 O10 151.89(8) . .
O3 Na1 O10 66.62(7) . .
O4 Na1 O10 123.52(9) . .
O8 Na1 O10 69.11(8) . .
O12 Na1 C36 19.60(8) . .
O2 Na1 C36 169.26(9) . .
O1 Na1 C36 93.59(10) . .
O3 Na1 C36 97.77(10) . .
O4 Na1 C36 50.46(8) . .
O8 Na1 C36 105.72(9) . .
O10 Na1 C36 89.48(10) . .
O12 Na1 Na3 46.80(6) . .
O2 Na1 Na3 104.48(6) . .
O1 Na1 Na3 111.25(7) . .
O3 Na1 Na3 108.24(7) . .
O4 Na1 Na3 115.42(7) . .
O8 Na1 Na3 48.91(6) . .
O10 Na1 Na3 45.90(6) . .
C36 Na1 Na3 65.04(7) . .
O14 Na2 O16 147.51(9) . .
O14 Na2 O19 71.66(8) . .
O16 Na2 O19 140.71(10) . .
O14 Na2 O23 141.02(8) . .
O16 Na2 O23 69.90(8) . .
O19 Na2 O23 71.21(8) . .
O14 Na2 O13 85.90(9) . .
O16 Na2 O13 89.13(8) . .
O19 Na2 O13 100.29(9) . .
O23 Na2 O13 112.02(9) . .
O14 Na2 O15 85.42(9) . .
O16 Na2 O15 82.16(8) . .
O19 Na2 O15 105.68(9) . .
O23 Na2 O15 93.48(9) . .
O13 Na2 O15 148.35(9) . .
O14 Na2 C66 51.25(9) . .
O16 Na2 C66 160.27(10) . .
O19 Na2 C66 20.90(8) . .
O23 Na2 C66 90.51(9) . .
O13 Na2 C66 100.86(9) . .
O15 Na2 C66 97.19(9) . .
O14 Na2 Zn1 108.75(6) . .
O16 Na2 Zn1 102.71(7) . .
O19 Na2 Zn1 38.61(6) . .
O23 Na2 Zn1 32.80(5) . .
O13 Na2 Zn1 113.26(7) . .
O15 Na2 Zn1 98.34(7) . .
C66 Na2 Zn1 57.75(7) . .
O2W Na3 O10 119.93(11) . .
O2W Na3 O12 77.96(10) . .
O10 Na3 O12 77.04(9) . .
O2W Na3 O18 104.13(10) . 2_545
O10 Na3 O18 135.56(10) . 2_545
O12 Na3 O18 120.59(11) . 2_545
O2W Na3 O8 153.59(12) . .
O10 Na3 O8 69.24(8) . .
O12 Na3 O8 80.67(8) . .
O18 Na3 O8 73.91(8) 2_545 .
O2W Na3 O7 89.53(11) . 2_545
O10 Na3 O7 80.69(8) . 2_545
O12 Na3 O7 144.17(11) . 2_545
O18 Na3 O7 94.92(8) 2_545 2_545
O8 Na3 O7 116.84(8) . 2_545
O2W Na3 Na1 117.84(8) . .
O10 Na3 Na1 47.65(6) . .
O12 Na3 Na1 41.63(6) . .
O18 Na3 Na1 116.78(8) 2_545 .
O8 Na3 Na1 47.43(5) . .
O7 Na3 Na1 128.06(7) 2_545 .
O2W Na3 Zn2 134.26(9) . 2_545
O10 Na3 Zn2 105.57(8) . 2_545
O12 Na3 Zn2 119.26(9) . 2_545
O18 Na3 Zn2 30.14(5) 2_545 2_545
O8 Na3 Zn2 48.27(5) . 2_545
O7 Na3 Zn2 93.54(6) 2_545 2_545
Na1 Na3 Zn2 95.44(5) . 2_545
C2 C1 C6 122.2(3) . .
C2 C1 O1 118.0(3) . .
C6 C1 O1 119.7(3) . .
C1 C2 C3 117.0(3) . .
C1 C2 C28 122.0(3) . .
C3 C2 C28 120.8(3) . .
C4 C3 C2 121.3(3) . .
C4 C3 H3 119.4 . .
C2 C3 H3 119.4 . .
C5 C4 C3 120.1(3) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C4 C5 C6 121.2(3) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C5 C6 C1 117.7(3) . .
C5 C6 C7 118.7(3) . .
C1 C6 C7 123.3(3) . .
C8 C7 C6 109.6(2) . .
C8 C7 H7A 109.8 . .
C6 C7 H7A 109.8 . .
C8 C7 H7B 109.8 . .
C6 C7 H7B 109.8 . .
H7A C7 H7B 108.2 . .
C13 C8 C9 117.3(3) . .
C13 C8 C7 122.4(3) . .
C9 C8 C7 120.1(3) . .
C10 C9 C8 120.7(4) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
C9 C10 C11 120.6(3) . .
C9 C10 H10 119.7 . .
C11 C10 H10 119.7 . .
C10 C11 C12 120.3(4) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C13 C12 C11 118.0(3) . .
C13 C12 C14 122.1(3) . .
C11 C12 C14 119.8(3) . .
C8 C13 C12 122.7(3) . .
C8 C13 O2 118.2(3) . .
C12 C13 O2 119.0(3) . .
C15 C14 C12 111.9(2) . .
C15 C14 H14A 109.2 . .
C12 C14 H14A 109.2 . .
C15 C14 H14B 109.2 . .
C12 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
C20 C15 C16 117.0(3) . .
C20 C15 C14 121.6(3) . .
C16 C15 C14 121.2(3) . .
C17 C16 C15 121.4(3) . .
C17 C16 H16 119.3 . .
C15 C16 H16 119.3 . .
C18 C17 C16 119.5(3) . .
C18 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C17 C18 C19 122.4(3) . .
C17 C18 H18 118.8 . .
C19 C18 H18 118.8 . .
C20 C19 C18 115.6(3) . .
C20 C19 C21 121.9(3) . .
C18 C19 C21 122.3(3) . .
C15 C20 O3 118.5(3) . .
C15 C20 C19 123.5(3) . .
O3 C20 C19 118.0(3) . .
C19 C21 C22 110.9(3) . .
C19 C21 H21A 109.5 . .
C22 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
C22 C21 H21B 109.5 . .
H21A C21 H21B 108.1 . .
C23 C22 C27 117.2(3) . .
C23 C22 C21 119.6(3) . .
C27 C22 C21 123.2(3) . .
C24 C23 C22 121.8(3) . .
C24 C23 H23 119.1 . .
C22 C23 H23 119.1 . .
C23 C24 C25 120.0(3) . .
C23 C24 H24 120.0 . .
C25 C24 H24 120.0 . .
C24 C25 C26 121.0(4) . .
C24 C25 H25 119.5 . .
C26 C25 H25 119.5 . .
C27 C26 C25 117.6(3) . .
C27 C26 C28 122.5(3) . .
C25 C26 C28 119.8(3) . .
C26 C27 C22 122.2(3) . .
C26 C27 O4 119.2(3) . .
C22 C27 O4 118.5(3) . .
C26 C28 C2 110.5(3) . .
C26 C28 H28A 109.6 . .
C2 C28 H28A 109.6 . .
C26 C28 H28B 109.6 . .
C2 C28 H28B 109.6 . .
H28A C28 H28B 108.1 . .
O1 C29 C30 117.4(3) . .
O1 C29 H29A 107.9 . .
C30 C29 H29A 107.9 . .
O1 C29 H29B 107.9 . .
C30 C29 H29B 107.9 . .
H29A C29 H29B 107.2 . .
O5 C30 O6 125.3(3) . .
O5 C30 C29 122.2(3) . .
O6 C30 C29 112.5(3) . .
O2 C31 C32 109.7(2) . .
O2 C31 H31A 109.7 . .
C32 C31 H31A 109.7 . .
O2 C31 H31B 109.7 . .
C32 C31 H31B 109.7 . .
H31A C31 H31B 108.2 . .
O8 C32 O7 123.8(3) . .
O8 C32 C31 120.5(3) . .
O7 C32 C31 115.6(3) . .
O3 C33 C34 112.6(3) . .
O3 C33 H33A 109.1 . .
C34 C33 H33A 109.1 . .
O3 C33 H33B 109.1 . .
C34 C33 H33B 109.1 . .
H33A C33 H33B 107.8 . .
O10 C34 O9 126.6(3) . .
O10 C34 C33 119.9(3) . .
O9 C34 C33 113.5(3) . .
O4 C35 C36 111.1(3) . .
O4 C35 H35A 109.4 . .
C36 C35 H35A 109.4 . .
O4 C35 H35B 109.4 . .
C36 C35 H35B 109.4 . .
H35A C35 H35B 108.0 . .
O11 C36 O12 124.4(3) . .
O11 C36 C35 115.7(3) . .
O12 C36 C35 119.9(3) . .
O11 C36 Na1 157.4(3) . .
O12 C36 Na1 36.99(16) . .
C35 C36 Na1 84.73(19) . .
O14 C37 C38 118.4(3) . .
O14 C37 C42 118.8(3) . .
C38 C37 C42 122.7(3) . .
C39 C38 C37 117.3(3) . .
C39 C38 C64 121.5(4) . .
C37 C38 C64 121.0(3) . .
C40 C39 C38 121.0(4) . .
C40 C39 H39 119.5 . .
C38 C39 H39 119.5 . .
C39 C40 C41 119.9(4) . .
C39 C40 H40 120.1 . .
C41 C40 H40 120.1 . .
C40 C41 C42 121.8(4) . .
C40 C41 H41 119.1 . .
C42 C41 H41 119.1 . .
C41 C42 C37 116.5(4) . .
C41 C42 C43 121.6(3) . .
C37 C42 C43 121.7(3) . .
C44 C43 C42 111.8(3) . .
C44 C43 H43A 109.3 . .
C42 C43 H43A 109.3 . .
C44 C43 H43B 109.3 . .
C42 C43 H43B 109.3 . .
H43A C43 H43B 107.9 . .
C45 C44 C49 117.0(3) . .
C45 C44 C43 120.6(3) . .
C49 C44 C43 122.4(3) . .
C46 C45 C44 121.7(4) . .
C46 C45 H45 119.2 . .
C44 C45 H45 119.2 . .
C45 C46 C47 119.9(3) . .
C45 C46 H46 120.0 . .
C47 C46 H46 120.0 . .
C46 C47 C48 121.5(3) . .
C46 C47 H47 119.3 . .
C48 C47 H47 119.3 . .
C47 C48 C49 117.4(3) . .
C47 C48 C50 119.6(3) . .
C49 C48 C50 123.0(3) . .
O15 C49 C48 119.5(3) . .
O15 C49 C44 118.1(3) . .
C48 C49 C44 122.3(3) . .
C51 C50 C48 111.1(3) . .
C51 C50 H50A 109.4 . .
C48 C50 H50A 109.4 . .
C51 C50 H50B 109.4 . .
C48 C50 H50B 109.4 . .
H50A C50 H50B 108.0 . .
C52 C51 C56 117.4(3) . .
C52 C51 C50 121.1(3) . .
C56 C51 C50 121.4(2) . .
C53 C52 C51 121.8(3) . .
C53 C52 H52 119.1 . .
C51 C52 H52 119.1 . .
C52 C53 C54 119.1(3) . .
C52 C53 H53 120.4 . .
C54 C53 H53 120.4 . .
C53 C54 C55 121.9(3) . .
C53 C54 H54 119.1 . .
C55 C54 H54 119.1 . .
C54 C55 C56 116.8(3) . .
C54 C55 C57 122.1(3) . .
C56 C55 C57 120.8(3) . .
C51 C56 C55 122.2(3) . .
C51 C56 O16 119.1(3) . .
C55 C56 O16 118.7(3) . .
C59 C57 C55 109.7(3) . .
C59 C57 H57A 109.7 . .
C55 C57 H57A 109.7 . .
C59 C57 H57B 109.7 . .
C55 C57 H57B 109.7 . .
H57A C57 H57B 108.2 . .
C63 C58 O13 120.6(3) . .
C63 C58 C59 122.1(3) . .
O13 C58 C59 117.1(3) . .
C60 C59 C58 116.8(3) . .
C60 C59 C57 120.1(3) . .
C58 C59 C57 123.1(3) . .
C61 C60 C59 122.5(4) . .
C61 C60 H60 118.7 . .
C59 C60 H60 118.7 . .
C60 C61 C62 119.3(4) . .
C60 C61 H61 120.4 . .
C62 C61 H61 120.4 . .
C61 C62 C63 121.6(4) . .
C61 C62 H62 119.2 . .
C63 C62 H62 119.2 . .
C58 C63 C62 117.6(3) . .
C58 C63 C64 124.0(3) . .
C62 C63 C64 118.2(3) . .
C38 C64 C63 110.1(3) . .
C38 C64 H64A 109.6 . .
C63 C64 H64A 109.6 . .
C38 C64 H64B 109.6 . .
C63 C64 H64B 109.6 . .
H64A C64 H64B 108.2 . .
O14 C65 C66 111.9(3) . .
O14 C65 H65A 109.2 . .
C66 C65 H65A 109.2 . .
O14 C65 H65B 109.2 . .
C66 C65 H65B 109.2 . .
H65A C65 H65B 107.9 . .
O19 C66 O20 126.4(3) . .
O19 C66 C65 120.6(3) . .
O20 C66 C65 113.0(3) . .
O19 C66 Na2 41.31(14) . .
O20 C66 Na2 163.5(3) . .
C65 C66 Na2 80.55(17) . .
O15 C67 C68 112.4(3) . .
O15 C67 H67A 109.1 . .
C68 C67 H67A 109.1 . .
O15 C67 H67B 109.1 . .
C68 C67 H67B 109.1 . .
H67A C67 H67B 107.9 . .
O21 C68 O22 122.5(3) . .
O21 C68 C67 122.0(3) . .
O22 C68 C67 115.6(4) . .
O21 C68 Zn3 60.00(18) . 2_655
O22 C68 Zn3 62.50(18) . 2_655
C67 C68 Zn3 176.5(3) . 2_655
O16 C69 C70 112.5(2) . .
O16 C69 H69A 109.1 . .
C70 C69 H69A 109.1 . .
O16 C69 H69B 109.1 . .
C70 C69 H69B 109.1 . .
H69A C69 H69B 107.8 . .
O24 C70 O23 126.5(3) . .
O24 C70 C69 116.5(3) . .
O23 C70 C69 117.0(3) . .
O13 C71 C72 114.1(3) . .
O13 C71 H71A 108.7 . .
C72 C71 H71A 108.7 . .
O13 C71 H71B 108.7 . .
C72 C71 H71B 108.7 . .
H71A C71 H71B 107.6 . .
O17 C72 O18 124.6(3) . .
O17 C72 C71 123.4(3) . .
O18 C72 C71 112.0(3) . .
N1 C73 N2 110.7(3) . .
N1 C73 H73 124.6 . .
N2 C73 H73 124.6 . .
C75 C74 N1 108.9(3) . .
C75 C74 H74 125.6 . .
N1 C74 H74 125.6 . .
C74 C75 N2 107.4(3) . .
C74 C75 H75 126.3 . .
N2 C75 H75 126.3 . .
N2 C76 C77 115.1(3) . .
N2 C76 H76A 108.5 . .
C77 C76 H76A 108.5 . .
N2 C76 H76B 108.5 . .
C77 C76 H76B 108.5 . .
H76A C76 H76B 107.5 . .
C77 C77 C76 115.1(4) 2 .
C77 C77 H77A 108.5 2 .
C76 C77 H77A 108.5 . .
C77 C77 H77B 108.5 2 .
C76 C77 H77B 108.5 . .
H77A C77 H77B 107.5 . .
C73 N1 C74 105.9(3) . .
C73 N1 Zn2 129.5(3) . .
C74 N1 Zn2 124.6(3) . .
C73 N2 C75 107.1(3) . .
C73 N2 C76 125.2(3) . .
C75 N2 C76 127.7(3) . .
C1 O1 C29 114.5(2) . .
C1 O1 Na1 127.73(17) . .
C29 O1 Na1 113.67(17) . .
C13 O2 C31 114.3(2) . .
C13 O2 Na1 126.73(15) . .
C31 O2 Na1 118.70(16) . .
C20 O3 C33 109.4(2) . .
C20 O3 Na1 135.37(18) . .
C33 O3 Na1 115.19(16) . .
O2W' O2W Na3 123.6(5) . .
C27 O4 C35 114.2(2) . .
C27 O4 Na1 132.14(17) . .
C35 O4 Na1 113.65(15) . .
C30 O5 Zn3 134.0(2) . 2_545
C30 O6 Zn1 125.0(2) . 2_545
C32 O7 Zn2 105.70(18) . 2_545
C32 O7 Na3 130.4(2) . 2_545
Zn2 O7 Na3 109.96(8) 2_545 2_545
C32 O8 Na1 115.30(19) . .
C32 O8 Na3 113.4(2) . .
Na1 O8 Na3 83.66(8) . .
C34 O9 Zn2 114.9(2) . .
C34 O10 Na3 129.4(2) . .
C34 O10 Na1 118.48(19) . .
Na3 O10 Na1 86.45(9) . .
C36 O12 Na1 123.4(2) . .
C36 O12 Na3 138.2(2) . .
Na1 O12 Na3 91.58(9) . .
C58 O13 C71 116.6(3) . .
C58 O13 Na2 117.49(17) . .
C71 O13 Na2 121.7(2) . .
C37 O14 C65 109.6(2) . .
C37 O14 Na2 134.03(17) . .
C65 O14 Na2 116.31(19) . .
C49 O15 C67 115.7(2) . .
C49 O15 Na2 124.84(18) . .
C67 O15 Na2 116.53(18) . .
C56 O16 C69 110.2(2) . .
C56 O16 Na2 132.91(18) . .
C69 O16 Na2 115.67(16) . .
C72 O18 Zn2 115.7(2) . .
C72 O18 Na3 130.2(2) . 2_545
Zn2 O18 Na3 110.57(10) . 2_545
C66 O19 Zn1 132.8(2) . .
C66 O19 Na2 117.8(2) . .
Zn1 O19 Na2 100.76(10) . .
C66 O20 Zn3 121.0(2) . .
C68 O21 Zn3 89.9(2) . 2_655
C68 O22 Zn3 87.2(2) . 2_655
C70 O23 Zn1 128.4(2) . .
C70 O23 Na2 119.43(19) . .
Zn1 O23 Na2 108.10(10) . .
Zn1 O1W H1A 86(3) . .
Zn1 O1W H1B 100(3) . .
H1A O1W H1B 112(3) . .
H3A O3W H3B 117(6) . .
Zn1 O25 Zn3 104.96(12) . .
Zn1 O25 H25A 91(3) . .
Zn3 O25 H25A 115(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O25 1.941(2) .
Zn1 O6 1.965(2) 2_545
Zn1 O23 1.983(2) .
Zn1 O1W 2.182(3) .
Zn1 O19 2.210(2) .
Zn1 Zn3 3.0896(11) .
Zn1 Na2 3.4793(14) .
Zn1 H25A 2.12(4) .
Zn2 O18 1.953(2) .
Zn2 O9 1.9670(19) .
Zn2 N1 2.019(3) .
Zn2 O7 2.030(2) 2_545
Zn2 Na3 3.6416(16) 2_545
Zn3 O25 1.954(3) .
Zn3 O20 1.972(2) .
Zn3 O5 2.068(2) 2_545
Zn3 O21 2.145(2) 2_655
Zn3 O22 2.200(3) 2_655
Zn3 C68 2.477(3) 2_655
Na1 O12 2.225(3) .
Na1 O2 2.326(2) .
Na1 O1 2.407(2) .
Na1 O3 2.426(3) .
Na1 O4 2.465(2) .
Na1 O8 2.480(2) .
Na1 O10 2.479(3) .
Na1 C36 3.087(4) .
Na1 Na3 3.3475(18) .
Na2 O14 2.297(2) .
Na2 O16 2.302(2) .
Na2 O19 2.306(2) .
Na2 O23 2.308(3) .
Na2 O13 2.334(3) .
Na2 O15 2.369(2) .
Na2 C66 3.090(3) .
Na3 O2W 2.391(3) .
Na3 O10 2.409(3) .
Na3 O12 2.441(3) .
Na3 O18 2.463(3) 2_545
Na3 O8 2.539(3) .
Na3 O7 2.620(3) 2_545
Na3 Zn2 3.6416(16) 2_545
C1 C2 1.393(4) .
C1 C6 1.400(4) .
C1 O1 1.401(3) .
C2 C3 1.403(4) .
C2 C28 1.506(4) .
C3 C4 1.377(5) .
C3 H3 0.9300 .
C4 C5 1.368(4) .
C4 H4 0.9300 .
C5 C6 1.389(4) .
C5 H5 0.9300 .
C6 C7 1.532(4) .
C7 C8 1.531(5) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C13 1.384(5) .
C8 C9 1.397(4) .
C9 C10 1.377(5) .
C9 H9 0.9300 .
C10 C11 1.375(5) .
C10 H10 0.9300 .
C11 C12 1.390(4) .
C11 H11 0.9300 .
C12 C13 1.388(4) .
C12 C14 1.512(5) .
C13 O2 1.393(3) .
C14 C15 1.508(5) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C20 1.374(4) .
C15 C16 1.403(4) .
C16 C17 1.375(5) .
C16 H16 0.9300 .
C17 C18 1.360(5) .
C17 H17 0.9300 .
C18 C19 1.406(4) .
C18 H18 0.9300 .
C19 C20 1.405(4) .
C19 C21 1.496(5) .
C20 O3 1.396(3) .
C21 C22 1.512(5) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.395(4) .
C22 C27 1.401(5) .
C23 C24 1.370(5) .
C23 H23 0.9300 .
C24 C25 1.372(5) .
C24 H24 0.9300 .
C25 C26 1.404(4) .
C25 H25 0.9300 .
C26 C27 1.392(5) .
C26 C28 1.508(5) .
C27 O4 1.404(3) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 O1 1.441(3) .
C29 C30 1.500(4) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 O5 1.242(4) .
C30 O6 1.269(4) .
C31 O2 1.432(3) .
C31 C32 1.508(4) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 O8 1.229(3) .
C32 O7 1.280(3) .
C33 O3 1.433(4) .
C33 C34 1.514(4) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 O10 1.225(4) .
C34 O9 1.255(4) .
C35 O4 1.433(4) .
C35 C36 1.515(4) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 O11 1.241(4) .
C36 O12 1.241(4) .
C37 O14 1.395(4) .
C37 C38 1.398(5) .
C37 C42 1.395(5) .
C38 C39 1.387(5) .
C38 C64 1.508(5) .
C39 C40 1.376(5) .
C39 H39 0.9300 .
C40 C41 1.376(6) .
C40 H40 0.9300 .
C41 C42 1.389(5) .
C41 H41 0.9300 .
C42 C43 1.518(5) .
C43 C44 1.516(5) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 C45 1.391(4) .
C44 C49 1.403(5) .
C45 C46 1.370(5) .
C45 H45 0.9300 .
C46 C47 1.376(5) .
C46 H46 0.9300 .
C47 C48 1.388(4) .
C47 H47 0.9300 .
C48 C49 1.396(4) .
C48 C50 1.528(5) .
C49 O15 1.391(3) .
C50 C51 1.521(4) .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C51 C52 1.385(4) .
C51 C56 1.386(4) .
C52 C53 1.369(4) .
C52 H52 0.9300 .
C53 C54 1.378(5) .
C53 H53 0.9300 .
C54 C55 1.386(4) .
C54 H54 0.9300 .
C55 C56 1.400(4) .
C55 C57 1.513(5) .
C56 O16 1.403(3) .
C57 C59 1.512(5) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 C63 1.389(5) .
C58 O13 1.398(4) .
C58 C59 1.398(4) .
C59 C60 1.389(5) .
C60 C61 1.362(5) .
C60 H60 0.9300 .
C61 C62 1.370(5) .
C61 H61 0.9300 .
C62 C63 1.392(5) .
C62 H62 0.9300 .
C63 C64 1.523(5) .
C64 H64A 0.9700 .
C64 H64B 0.9700 .
C65 O14 1.440(4) .
C65 C66 1.501(5) .
C65 H65A 0.9700 .
C65 H65B 0.9700 .
C66 O19 1.246(4) .
C66 O20 1.263(3) .
C67 O15 1.427(4) .
C67 C68 1.513(4) .
C67 H67A 0.9700 .
C67 H67B 0.9700 .
C68 O21 1.243(4) .
C68 O22 1.250(4) .
C68 Zn3 2.477(3) 2_655
C69 O16 1.437(4) .
C69 C70 1.509(4) .
C69 H69A 0.9700 .
C69 H69B 0.9700 .
C70 O24 1.233(4) .
C70 O23 1.269(4) .
C71 O13 1.443(4) .
C71 C72 1.485(5) .
C71 H71A 0.9700 .
C71 H71B 0.9700 .
C72 O17 1.216(4) .
C72 O18 1.286(4) .
C73 N1 1.310(4) .
C73 N2 1.339(4) .
C73 H73 0.9300 .
C74 C75 1.330(5) .
C74 N1 1.376(4) .
C74 H74 0.9300 .
C75 N2 1.351(4) .
C75 H75 0.9300 .
C76 N2 1.473(4) .
C76 C77 1.519(5) .
C76 H76A 0.9700 .
C76 H76B 0.9700 .
C77 C77 1.505(6) 2
C77 H77A 0.9700 .
C77 H77B 0.9700 .
O2W O2W' 1.324(11) .
O5 Zn3 2.068(2) 2_545
O6 Zn1 1.965(2) 2_545
O7 Zn2 2.030(2) 2_545
O7 Na3 2.620(3) 2_545
O18 Na3 2.463(3) 2_545
O21 Zn3 2.145(2) 2_655
O22 Zn3 2.200(3) 2_655
O1W H1A 0.828(18) .
O1W H1B 0.888(18) .
O3W H3A 0.95(2) .
O3W H3B 0.92(2) .
O4W O4W' 1.033(16) .
O25 H25A 0.80(4) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1W H1A O3W 0.828(18) 1.93(3) 2.690(5) 152(5)
O1W H1B O24 0.888(18) 1.94(3) 2.753(3) 152(4)
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O6 Zn1 Zn3 O25 -143.87(14) 2_545 .
O23 Zn1 Zn3 O25 91.11(18) . .
O1W Zn1 Zn3 O25 -54.39(15) . .
O19 Zn1 Zn3 O25 115.17(14) . .
Na2 Zn1 Zn3 O25 102.62(13) . .
O25 Zn1 Zn3 O20 -109.78(14) . .
O6 Zn1 Zn3 O20 106.35(10) 2_545 .
O23 Zn1 Zn3 O20 -18.67(14) . .
O1W Zn1 Zn3 O20 -164.17(11) . .
O19 Zn1 Zn3 O20 5.40(9) . .
Na2 Zn1 Zn3 O20 -7.16(7) . .
O25 Zn1 Zn3 O5 143.68(15) . 2_545
O6 Zn1 Zn3 O5 -0.19(11) 2_545 2_545
O23 Zn1 Zn3 O5 -125.21(15) . 2_545
O1W Zn1 Zn3 O5 89.29(11) . 2_545
O19 Zn1 Zn3 O5 -101.15(10) . 2_545
Na2 Zn1 Zn3 O5 -113.70(8) . 2_545
O25 Zn1 Zn3 O21 55.57(15) . 2_655
O6 Zn1 Zn3 O21 -88.30(11) 2_545 2_655
O23 Zn1 Zn3 O21 146.68(15) . 2_655
O1W Zn1 Zn3 O21 1.18(12) . 2_655
O19 Zn1 Zn3 O21 170.74(10) . 2_655
Na2 Zn1 Zn3 O21 158.18(8) . 2_655
O25 Zn1 Zn3 O22 165.8(4) . 2_655
O6 Zn1 Zn3 O22 21.9(3) 2_545 2_655
O23 Zn1 Zn3 O22 -103.1(4) . 2_655
O1W Zn1 Zn3 O22 111.4(3) . 2_655
O19 Zn1 Zn3 O22 -79.0(3) . 2_655
Na2 Zn1 Zn3 O22 -91.6(3) . 2_655
O25 Zn1 Zn3 C68 69.3(2) . 2_655
O6 Zn1 Zn3 C68 -74.55(19) 2_545 2_655
O23 Zn1 Zn3 C68 160.4(2) . 2_655
O1W Zn1 Zn3 C68 14.9(2) . 2_655
O19 Zn1 Zn3 C68 -175.50(19) . 2_655
Na2 Zn1 Zn3 C68 171.94(18) . 2_655
O25 Zn1 Na2 O14 41.52(12) . .
O6 Zn1 Na2 O14 -88.68(10) 2_545 .
O23 Zn1 Na2 O14 171.40(13) . .
O1W Zn1 Na2 O14 155.40(12) . .
O19 Zn1 Na2 O14 -16.75(11) . .
Zn3 Zn1 Na2 O14 1.48(8) . .
O25 Zn1 Na2 O16 -130.24(10) . .
O6 Zn1 Na2 O16 99.56(10) 2_545 .
O23 Zn1 Na2 O16 -0.35(12) . .
O1W Zn1 Na2 O16 -16.36(12) . .
O19 Zn1 Na2 O16 171.50(11) . .
Zn3 Zn1 Na2 O16 -170.27(6) . .
O25 Zn1 Na2 O19 58.26(13) . .
O6 Zn1 Na2 O19 -71.93(12) 2_545 .
O23 Zn1 Na2 O19 -171.85(14) . .
O1W Zn1 Na2 O19 172.14(13) . .
Zn3 Zn1 Na2 O19 18.23(9) . .
O25 Zn1 Na2 O23 -129.89(14) . .
O6 Zn1 Na2 O23 99.91(13) 2_545 .
O1W Zn1 Na2 O23 -16.01(14) . .
O19 Zn1 Na2 O23 171.85(14) . .
Zn3 Zn1 Na2 O23 -169.92(11) . .
O25 Zn1 Na2 O13 135.17(11) . .
O6 Zn1 Na2 O13 4.97(10) 2_545 .
O23 Zn1 Na2 O13 -94.95(13) . .
O1W Zn1 Na2 O13 -110.95(12) . .
O19 Zn1 Na2 O13 76.90(11) . .
Zn3 Zn1 Na2 O13 95.13(7) . .
O25 Zn1 Na2 O15 -46.46(11) . .
O6 Zn1 Na2 O15 -176.66(9) 2_545 .
O23 Zn1 Na2 O15 83.43(12) . .
O1W Zn1 Na2 O15 67.42(11) . .
O19 Zn1 Na2 O15 -104.72(11) . .
Zn3 Zn1 Na2 O15 -86.49(6) . .
O25 Zn1 Na2 C66 46.81(11) . .
O6 Zn1 Na2 C66 -83.38(10) 2_545 .
O23 Zn1 Na2 C66 176.70(13) . .
O1W Zn1 Na2 C66 160.69(12) . .
O19 Zn1 Na2 C66 -11.45(11) . .
Zn3 Zn1 Na2 C66 6.78(7) . .
O12 Na1 Na3 O2W -18.29(16) . .
O2 Na1 Na3 O2W 167.96(13) . .
O1 Na1 Na3 O2W -93.40(13) . .
O3 Na1 Na3 O2W 80.68(13) . .
O4 Na1 Na3 O2W -6.63(14) . .
O8 Na1 Na3 O2W -152.90(14) . .
O10 Na1 Na3 O2W 106.38(15) . .
C36 Na1 Na3 O2W -9.53(15) . .
O12 Na1 Na3 O10 -124.66(15) . .
O2 Na1 Na3 O10 61.59(11) . .
O1 Na1 Na3 O10 160.22(11) . .
O3 Na1 Na3 O10 -25.70(10) . .
O4 Na1 Na3 O10 -113.00(12) . .
O8 Na1 Na3 O10 100.73(11) . .
C36 Na1 Na3 O10 -115.91(13) . .
O2 Na1 Na3 O12 -173.75(14) . .
O1 Na1 Na3 O12 -75.12(13) . .
O3 Na1 Na3 O12 98.96(14) . .
O4 Na1 Na3 O12 11.66(13) . .
O8 Na1 Na3 O12 -134.61(14) . .
O10 Na1 Na3 O12 124.66(15) . .
C36 Na1 Na3 O12 8.75(15) . .
O12 Na1 Na3 O18 106.87(14) . 2_545
O2 Na1 Na3 O18 -66.88(10) . 2_545
O1 Na1 Na3 O18 31.75(10) . 2_545
O3 Na1 Na3 O18 -154.17(9) . 2_545
O4 Na1 Na3 O18 118.53(10) . 2_545
O8 Na1 Na3 O18 -27.74(9) . 2_545
O10 Na1 Na3 O18 -128.47(12) . 2_545
C36 Na1 Na3 O18 115.62(12) . 2_545
O12 Na1 Na3 O8 134.61(14) . .
O2 Na1 Na3 O8 -39.14(9) . .
O1 Na1 Na3 O8 59.50(9) . .
O3 Na1 Na3 O8 -126.43(10) . .
O4 Na1 Na3 O8 146.27(11) . .
O10 Na1 Na3 O8 -100.73(11) . .
C36 Na1 Na3 O8 143.36(12) . .
O12 Na1 Na3 O7 -131.98(15) . 2_545
O2 Na1 Na3 O7 54.27(11) . 2_545
O1 Na1 Na3 O7 152.90(9) . 2_545
O3 Na1 Na3 O7 -33.02(11) . 2_545
O4 Na1 Na3 O7 -120.32(11) . 2_545
O8 Na1 Na3 O7 93.41(11) . 2_545
O10 Na1 Na3 O7 -7.32(11) . 2_545
C36 Na1 Na3 O7 -123.23(13) . 2_545
O12 Na1 Na3 Zn2 129.20(13) . 2_545
O2 Na1 Na3 Zn2 -44.55(8) . 2_545
O1 Na1 Na3 Zn2 54.08(7) . 2_545
O3 Na1 Na3 Zn2 -131.84(6) . 2_545
O4 Na1 Na3 Zn2 140.86(7) . 2_545
O8 Na1 Na3 Zn2 -5.41(7) . 2_545
O10 Na1 Na3 Zn2 -106.14(9) . 2_545
C36 Na1 Na3 Zn2 137.95(10) . 2_545
C6 C1 C2 C3 7.7(4) . .
O1 C1 C2 C3 -175.2(3) . .
C6 C1 C2 C28 -168.2(3) . .
O1 C1 C2 C28 8.8(4) . .
C1 C2 C3 C4 -1.7(5) . .
C28 C2 C3 C4 174.3(3) . .
C2 C3 C4 C5 -3.6(5) . .
C3 C4 C5 C6 3.1(5) . .
C4 C5 C6 C1 2.6(5) . .
C4 C5 C6 C7 -171.7(3) . .
C2 C1 C6 C5 -8.2(5) . .
O1 C1 C6 C5 174.8(3) . .
C2 C1 C6 C7 165.8(3) . .
O1 C1 C6 C7 -11.2(4) . .
C5 C6 C7 C8 75.7(4) . .
C1 C6 C7 C8 -98.3(3) . .
C6 C7 C8 C13 102.2(3) . .
C6 C7 C8 C9 -73.3(4) . .
C13 C8 C9 C10 -3.8(5) . .
C7 C8 C9 C10 171.9(3) . .
C8 C9 C10 C11 -1.6(6) . .
C9 C10 C11 C12 3.9(5) . .
C10 C11 C12 C13 -0.8(5) . .
C10 C11 C12 C14 -178.5(3) . .
C9 C8 C13 C12 7.2(4) . .
C7 C8 C13 C12 -168.5(3) . .
C9 C8 C13 O2 -175.5(3) . .
C7 C8 C13 O2 8.8(4) . .
C11 C12 C13 C8 -4.9(4) . .
C14 C12 C13 C8 172.8(3) . .
C11 C12 C13 O2 177.8(3) . .
C14 C12 C13 O2 -4.5(4) . .
C13 C12 C14 C15 -104.1(3) . .
C11 C12 C14 C15 73.6(4) . .
C12 C14 C15 C20 90.2(4) . .
C12 C14 C15 C16 -85.0(4) . .
C20 C15 C16 C17 0.0(5) . .
C14 C15 C16 C17 175.3(3) . .
C15 C16 C17 C18 -5.5(6) . .
C16 C17 C18 C19 5.2(6) . .
C17 C18 C19 C20 0.5(5) . .
C17 C18 C19 C21 -175.5(3) . .
C16 C15 C20 O3 -171.9(3) . .
C14 C15 C20 O3 12.7(5) . .
C16 C15 C20 C19 6.1(5) . .
C14 C15 C20 C19 -169.2(3) . .
C18 C19 C20 C15 -6.4(5) . .
C21 C19 C20 C15 169.6(3) . .
C18 C19 C20 O3 171.7(3) . .
C21 C19 C20 O3 -12.3(5) . .
C20 C19 C21 C22 -91.8(4) . .
C18 C19 C21 C22 84.0(4) . .
C19 C21 C22 C23 -74.6(4) . .
C19 C21 C22 C27 103.2(3) . .
C27 C22 C23 C24 0.3(5) . .
C21 C22 C23 C24 178.3(3) . .
C22 C23 C24 C25 -1.7(5) . .
C23 C24 C25 C26 -0.3(5) . .
C24 C25 C26 C27 3.4(5) . .
C24 C25 C26 C28 -172.8(3) . .
C25 C26 C27 C22 -4.8(5) . .
C28 C26 C27 C22 171.3(3) . .
C25 C26 C27 O4 178.9(3) . .
C28 C26 C27 O4 -5.0(4) . .
C23 C22 C27 C26 3.0(5) . .
C21 C22 C27 C26 -174.9(3) . .
C23 C22 C27 O4 179.3(3) . .
C21 C22 C27 O4 1.4(5) . .
C27 C26 C28 C2 -96.6(3) . .
C25 C26 C28 C2 79.5(3) . .
C1 C2 C28 C26 96.7(3) . .
C3 C2 C28 C26 -79.0(4) . .
O1 C29 C30 O5 0.7(5) . .
O1 C29 C30 O6 -178.4(3) . .
O2 C31 C32 O8 -0.2(4) . .
O2 C31 C32 O7 177.1(3) . .
O3 C33 C34 O10 -8.4(5) . .
O3 C33 C34 O9 170.0(3) . .
O4 C35 C36 O11 168.0(4) . .
O4 C35 C36 O12 -13.8(5) . .
O4 C35 C36 Na1 -1.9(3) . .
O12 Na1 C36 O11 41.6(7) . .
O2 Na1 C36 O11 9.2(13) . .
O1 Na1 C36 O11 134.1(8) . .
O3 Na1 C36 O11 -84.2(8) . .
O4 Na1 C36 O11 -154.3(9) . .
O8 Na1 C36 O11 50.2(9) . .
O10 Na1 C36 O11 -17.9(9) . .
Na3 Na1 C36 O11 22.3(8) . .
O2 Na1 C36 O12 -32.4(8) . .
O1 Na1 C36 O12 92.5(3) . .
O3 Na1 C36 O12 -125.9(3) . .
O4 Na1 C36 O12 164.1(4) . .
O8 Na1 C36 O12 8.5(4) . .
O10 Na1 C36 O12 -59.5(3) . .
Na3 Na1 C36 O12 -19.3(3) . .
O12 Na1 C36 C35 -162.7(5) . .
O2 Na1 C36 C35 164.8(5) . .
O1 Na1 C36 C35 -70.2(2) . .
O3 Na1 C36 C35 71.4(2) . .
O4 Na1 C36 C35 1.36(19) . .
O8 Na1 C36 C35 -154.2(2) . .
O10 Na1 C36 C35 137.7(2) . .
Na3 Na1 C36 C35 178.0(2) . .
O14 C37 C38 C39 -169.7(3) . .
C42 C37 C38 C39 8.2(5) . .
O14 C37 C38 C64 14.7(4) . .
C42 C37 C38 C64 -167.5(3) . .
C37 C38 C39 C40 -0.9(5) . .
C64 C38 C39 C40 174.7(3) . .
C38 C39 C40 C41 -5.4(5) . .
C39 C40 C41 C42 4.9(5) . .
C40 C41 C42 C37 2.0(5) . .
C40 C41 C42 C43 -174.0(3) . .
O14 C37 C42 C41 169.2(3) . .
C38 C37 C42 C41 -8.7(4) . .
O14 C37 C42 C43 -14.8(4) . .
C38 C37 C42 C43 167.3(3) . .
C41 C42 C43 C44 88.0(4) . .
C37 C42 C43 C44 -87.8(4) . .
C42 C43 C44 C45 -74.2(4) . .
C42 C43 C44 C49 106.2(4) . .
C49 C44 C45 C46 -1.8(5) . .
C43 C44 C45 C46 178.5(3) . .
C44 C45 C46 C47 -0.2(5) . .
C45 C46 C47 C48 0.1(5) . .
C46 C47 C48 C49 2.0(5) . .
C46 C47 C48 C50 -176.4(3) . .
C47 C48 C49 O15 179.1(3) . .
C50 C48 C49 O15 -2.6(4) . .
C47 C48 C49 C44 -4.1(5) . .
C50 C48 C49 C44 174.2(3) . .
C45 C44 C49 O15 -179.2(3) . .
C43 C44 C49 O15 0.5(4) . .
C45 C44 C49 C48 4.0(5) . .
C43 C44 C49 C48 -176.4(3) . .
C47 C48 C50 C51 76.6(4) . .
C49 C48 C50 C51 -101.7(3) . .
C48 C50 C51 C52 -89.9(4) . .
C48 C50 C51 C56 88.0(4) . .
C56 C51 C52 C53 -3.4(5) . .
C50 C51 C52 C53 174.6(3) . .
C51 C52 C53 C54 -3.6(5) . .
C52 C53 C54 C55 4.4(5) . .
C53 C54 C55 C56 1.9(5) . .
C53 C54 C55 C57 -171.5(3) . .
C52 C51 C56 C55 10.1(5) . .
C50 C51 C56 C55 -167.9(3) . .
C52 C51 C56 O16 -170.1(3) . .
C50 C51 C56 O16 11.9(4) . .
C54 C55 C56 C51 -9.3(5) . .
C57 C55 C56 C51 164.2(3) . .
C54 C55 C56 O16 170.9(3) . .
C57 C55 C56 O16 -15.6(4) . .
C54 C55 C57 C59 86.8(3) . .
C56 C55 C57 C59 -86.3(3) . .
C63 C58 C59 C60 1.5(5) . .
O13 C58 C59 C60 178.3(3) . .
C63 C58 C59 C57 -177.8(3) . .
O13 C58 C59 C57 -1.0(4) . .
C55 C57 C59 C60 -66.2(4) . .
C55 C57 C59 C58 113.0(3) . .
C58 C59 C60 C61 1.1(5) . .
C57 C59 C60 C61 -179.6(3) . .
C59 C60 C61 C62 -1.7(6) . .
C60 C61 C62 C63 -0.3(6) . .
O13 C58 C63 C62 180.0(3) . .
C59 C58 C63 C62 -3.3(5) . .
O13 C58 C63 C64 -4.5(5) . .
C59 C58 C63 C64 172.3(3) . .
C61 C62 C63 C58 2.7(5) . .
C61 C62 C63 C64 -173.1(3) . .
C39 C38 C64 C63 -91.6(4) . .
C37 C38 C64 C63 83.9(4) . .
C58 C63 C64 C38 -105.3(4) . .
C62 C63 C64 C38 70.2(4) . .
O14 C65 C66 O19 10.8(5) . .
O14 C65 C66 O20 -170.0(3) . .
O14 C65 C66 Na2 0.1(3) . .
O14 Na2 C66 O19 -166.1(3) . .
O16 Na2 C66 O19 28.9(4) . .
O23 Na2 C66 O19 22.1(2) . .
O13 Na2 C66 O19 -90.4(2) . .
O15 Na2 C66 O19 115.7(2) . .
Zn1 Na2 C66 O19 20.3(2) . .
O14 Na2 C66 O20 146.2(8) . .
O16 Na2 C66 O20 -18.8(10) . .
O19 Na2 C66 O20 -47.7(7) . .
O23 Na2 C66 O20 -25.6(8) . .
O13 Na2 C66 O20 -138.1(8) . .
O15 Na2 C66 O20 68.0(8) . .
Zn1 Na2 C66 O20 -27.3(8) . .
O14 Na2 C66 C65 -0.09(19) . .
O16 Na2 C66 C65 -165.1(3) . .
O19 Na2 C66 C65 166.0(4) . .
O23 Na2 C66 C65 -171.9(2) . .
O13 Na2 C66 C65 75.6(2) . .
O15 Na2 C66 C65 -78.3(2) . .
Zn1 Na2 C66 C65 -173.7(2) . .
O15 C67 C68 O21 4.3(4) . .
O15 C67 C68 O22 -174.7(3) . .
O15 C67 C68 Zn3 -119(5) . 2_655
O16 C69 C70 O24 178.9(3) . .
O16 C69 C70 O23 -0.3(4) . .
O13 C71 C72 O17 -10.0(5) . .
O13 C71 C72 O18 172.6(3) . .
N1 C74 C75 N2 -0.5(4) . .
N2 C76 C77 C77 -65.0(5) . 2
N2 C73 N1 C74 0.3(3) . .
N2 C73 N1 Zn2 -178.0(2) . .
C75 C74 N1 C73 0.1(4) . .
C75 C74 N1 Zn2 178.5(2) . .
O18 Zn2 N1 C73 26.9(3) . .
O9 Zn2 N1 C73 -97.6(3) . .
O7 Zn2 N1 C73 151.1(3) 2_545 .
Na3 Zn2 N1 C73 73.0(3) 2_545 .
O18 Zn2 N1 C74 -151.1(2) . .
O9 Zn2 N1 C74 84.4(3) . .
O7 Zn2 N1 C74 -26.9(3) 2_545 .
Na3 Zn2 N1 C74 -105.0(2) 2_545 .
N1 C73 N2 C75 -0.6(4) . .
N1 C73 N2 C76 -178.2(3) . .
C74 C75 N2 C73 0.7(4) . .
C74 C75 N2 C76 178.2(3) . .
C77 C76 N2 C73 -98.5(4) . .
C77 C76 N2 C75 84.4(5) . .
C2 C1 O1 C29 106.4(3) . .
C6 C1 O1 C29 -76.5(3) . .
C2 C1 O1 Na1 -98.2(3) . .
C6 C1 O1 Na1 79.0(3) . .
C30 C29 O1 C1 -100.3(3) . .
C30 C29 O1 Na1 100.7(3) . .
O12 Na1 O1 C1 147.1(2) . .
O2 Na1 O1 C1 -61.3(2) . .
O3 Na1 O1 C1 20.8(3) . .
O4 Na1 O1 C1 79.1(2) . .
O8 Na1 O1 C1 -127.1(2) . .
O10 Na1 O1 C1 -136.9(2) . .
C36 Na1 O1 C1 127.5(2) . .
Na3 Na1 O1 C1 -168.0(2) . .
O12 Na1 O1 C29 -57.28(19) . .
O2 Na1 O1 C29 94.29(18) . .
O3 Na1 O1 C29 176.45(18) . .
O4 Na1 O1 C29 -125.28(19) . .
O8 Na1 O1 C29 28.51(18) . .
O10 Na1 O1 C29 18.7(3) . .
C36 Na1 O1 C29 -76.92(19) . .
Na3 Na1 O1 C29 -12.34(19) . .
C8 C13 O2 C31 88.7(3) . .
C12 C13 O2 C31 -93.9(3) . .
C8 C13 O2 Na1 -85.8(3) . .
C12 C13 O2 Na1 91.6(3) . .
C32 C31 O2 C13 -150.2(3) . .
C32 C31 O2 Na1 24.8(3) . .
O12 Na1 O2 C13 170.5(3) . .
O1 Na1 O2 C13 67.1(2) . .
O3 Na1 O2 C13 -73.1(2) . .
O4 Na1 O2 C13 -7.8(3) . .
O8 Na1 O2 C13 148.5(3) . .
O10 Na1 O2 C13 -140.4(2) . .
C36 Na1 O2 C13 -167.9(6) . .
Na3 Na1 O2 C13 179.8(2) . .
O12 Na1 O2 C31 -3.8(4) . .
O1 Na1 O2 C31 -107.2(2) . .
O3 Na1 O2 C31 112.6(2) . .
O4 Na1 O2 C31 178.0(2) . .
O8 Na1 O2 C31 -25.8(2) . .
O10 Na1 O2 C31 45.3(2) . .
C36 Na1 O2 C31 17.8(7) . .
Na3 Na1 O2 C31 5.5(2) . .
C15 C20 O3 C33 89.1(3) . .
C19 C20 O3 C33 -89.0(3) . .
C15 C20 O3 Na1 -87.8(3) . .
C19 C20 O3 Na1 94.0(3) . .
C34 C33 O3 C20 -151.8(3) . .
C34 C33 O3 Na1 25.8(3) . .
O12 Na1 O3 C20 -136.9(3) . .
O2 Na1 O3 C20 70.6(3) . .
O1 Na1 O3 C20 -15.0(3) . .
O4 Na1 O3 C20 -72.8(3) . .
O8 Na1 O3 C20 122.2(3) . .
O10 Na1 O3 C20 153.8(3) . .
C36 Na1 O3 C20 -120.2(3) . .
Na3 Na1 O3 C20 173.6(2) . .
O12 Na1 O3 C33 46.3(2) . .
O2 Na1 O3 C33 -106.2(2) . .
O1 Na1 O3 C33 168.2(2) . .
O4 Na1 O3 C33 110.4(2) . .
O8 Na1 O3 C33 -54.6(2) . .
O10 Na1 O3 C33 -23.0(2) . .
C36 Na1 O3 C33 63.0(2) . .
Na3 Na1 O3 C33 -3.2(2) . .
O10 Na3 O2W O2W' -53.9(5) . .
O12 Na3 O2W O2W' -121.1(5) . .
O18 Na3 O2W O2W' 120.0(5) 2_545 .
O8 Na3 O2W O2W' -157.8(5) . .
O7 Na3 O2W O2W' 25.1(5) 2_545 .
Na1 Na3 O2W O2W' -108.8(5) . .
Zn2 Na3 O2W O2W' 119.6(5) 2_545 .
C26 C27 O4 C35 -89.4(4) . .
C22 C27 O4 C35 94.1(3) . .
C26 C27 O4 Na1 89.4(3) . .
C22 C27 O4 Na1 -87.0(3) . .
C36 C35 O4 C27 -178.3(3) . .
C36 C35 O4 Na1 2.6(4) . .
O12 Na1 O4 C27 -174.8(3) . .
O2 Na1 O4 C27 4.3(3) . .
O1 Na1 O4 C27 -75.7(3) . .
O3 Na1 O4 C27 70.7(3) . .
O8 Na1 O4 C27 -131.6(3) . .
O10 Na1 O4 C27 123.7(3) . .
C36 Na1 O4 C27 179.6(3) . .
Na3 Na1 O4 C27 176.2(3) . .
O12 Na1 O4 C35 4.1(2) . .
O2 Na1 O4 C35 -176.9(2) . .
O1 Na1 O4 C35 103.2(2) . .
O3 Na1 O4 C35 -110.5(2) . .
O8 Na1 O4 C35 47.2(3) . .
O10 Na1 O4 C35 -57.4(2) . .
C36 Na1 O4 C35 -1.6(2) . .
Na3 Na1 O4 C35 -5.0(2) . .
O6 C30 O5 Zn3 -5.2(5) . 2_545
C29 C30 O5 Zn3 175.9(2) . 2_545
O5 C30 O6 Zn1 5.0(5) . 2_545
C29 C30 O6 Zn1 -175.9(2) . 2_545
O8 C32 O7 Zn2 18.8(4) . 2_545
C31 C32 O7 Zn2 -158.4(2) . 2_545
O8 C32 O7 Na3 -116.0(3) . 2_545
C31 C32 O7 Na3 66.7(4) . 2_545
O7 C32 O8 Na1 160.8(2) . .
C31 C32 O8 Na1 -22.2(4) . .
O7 C32 O8 Na3 66.7(4) . .
C31 C32 O8 Na3 -116.2(3) . .
O12 Na1 O8 C32 -144.2(2) . .
O2 Na1 O8 C32 25.3(2) . .
O1 Na1 O8 C32 121.1(2) . .
O3 Na1 O8 C32 -32.9(3) . .
O4 Na1 O8 C32 175.9(2) . .
O10 Na1 O8 C32 -63.8(2) . .
C36 Na1 O8 C32 -147.1(2) . .
Na3 Na1 O8 C32 -112.9(2) . .
O12 Na1 O8 Na3 -31.33(10) . .
O2 Na1 O8 Na3 138.14(9) . .
O1 Na1 O8 Na3 -126.03(8) . .
O3 Na1 O8 Na3 80.00(11) . .
O4 Na1 O8 Na3 -71.26(18) . .
O10 Na1 O8 Na3 49.05(8) . .
C36 Na1 O8 Na3 -34.20(11) . .
O2W Na3 O8 C32 179.8(2) . .
O10 Na3 O8 C32 63.9(2) . .
O12 Na3 O8 C32 143.5(2) . .
O18 Na3 O8 C32 -90.8(2) 2_545 .
O7 Na3 O8 C32 -3.4(2) 2_545 .
Na1 Na3 O8 C32 114.9(2) . .
Zn2 Na3 O8 C32 -72.37(19) 2_545 .
O2W Na3 O8 Na1 64.9(2) . .
O10 Na3 O8 Na1 -50.94(8) . .
O12 Na3 O8 Na1 28.64(9) . .
O18 Na3 O8 Na1 154.37(9) 2_545 .
O7 Na3 O8 Na1 -118.26(8) 2_545 .
Zn2 Na3 O8 Na1 172.77(9) 2_545 .
O10 C34 O9 Zn2 20.1(4) . .
C33 C34 O9 Zn2 -158.2(2) . .
O18 Zn2 O9 C34 55.5(2) . .
N1 Zn2 O9 C34 -173.4(2) . .
O7 Zn2 O9 C34 -66.3(2) 2_545 .
Na3 Zn2 O9 C34 17.7(3) 2_545 .
O9 C34 O10 Na3 57.7(5) . .
C33 C34 O10 Na3 -124.1(3) . .
O9 C34 O10 Na1 168.5(2) . .
C33 C34 O10 Na1 -13.3(4) . .
O2W Na3 O10 C34 22.8(3) . .
O12 Na3 O10 C34 90.5(3) . .
O18 Na3 O10 C34 -148.8(3) 2_545 .
O8 Na3 O10 C34 175.3(3) . .
O7 Na3 O10 C34 -61.3(3) 2_545 .
Na1 Na3 O10 C34 124.6(3) . .
Zn2 Na3 O10 C34 -152.4(3) 2_545 .
O2W Na3 O10 Na1 -101.80(12) . .
O12 Na3 O10 Na1 -34.10(9) . .
O18 Na3 O10 Na1 86.63(14) 2_545 .
O8 Na3 O10 Na1 50.70(7) . .
O7 Na3 O10 Na1 174.16(9) 2_545 .
Zn2 Na3 O10 Na1 83.06(7) 2_545 .
O12 Na1 O10 C34 -96.1(3) . .
O2 Na1 O10 C34 105.9(2) . .
O1 Na1 O10 C34 -175.7(2) . .
O3 Na1 O10 C34 19.7(2) . .
O4 Na1 O10 C34 -39.3(3) . .
O8 Na1 O10 C34 173.9(3) . .
C36 Na1 O10 C34 -79.0(3) . .
Na3 Na1 O10 C34 -133.6(3) . .
O12 Na1 O10 Na3 37.54(10) . .
O2 Na1 O10 Na3 -120.43(9) . .
O1 Na1 O10 Na3 -42.0(2) . .
O3 Na1 O10 Na3 153.34(11) . .
O4 Na1 O10 Na3 94.31(10) . .
O8 Na1 O10 Na3 -52.43(8) . .
C36 Na1 O10 Na3 54.64(10) . .
O11 C36 O12 Na1 -162.0(4) . .
C35 C36 O12 Na1 19.9(5) . .
O11 C36 O12 Na3 -20.1(7) . .
C35 C36 O12 Na3 161.9(3) . .
Na1 C36 O12 Na3 141.9(6) . .
O2 Na1 O12 C36 168.2(3) . .
O1 Na1 O12 C36 -88.9(3) . .
O3 Na1 O12 C36 58.0(3) . .
O4 Na1 O12 C36 -13.0(3) . .
O8 Na1 O12 C36 -171.8(3) . .
O10 Na1 O12 C36 118.8(3) . .
Na3 Na1 O12 C36 155.7(4) . .
O2 Na1 O12 Na3 12.5(3) . .
O1 Na1 O12 Na3 115.42(10) . .
O3 Na1 O12 Na3 -97.70(10) . .
O4 Na1 O12 Na3 -168.76(13) . .
O8 Na1 O12 Na3 32.52(10) . .
O10 Na1 O12 Na3 -36.89(10) . .
C36 Na1 O12 Na3 -155.7(4) . .
O2W Na3 O12 C36 14.5(4) . .
O10 Na3 O12 C36 -110.4(4) . .
O18 Na3 O12 C36 114.0(4) 2_545 .
O8 Na3 O12 C36 178.9(4) . .
O7 Na3 O12 C36 -57.4(5) 2_545 .
Na1 Na3 O12 C36 -149.0(5) . .
Zn2 Na3 O12 C36 148.8(4) 2_545 .
O2W Na3 O12 Na1 163.52(14) . .
O10 Na3 O12 Na1 38.59(11) . .
O18 Na3 O12 Na1 -97.05(12) 2_545 .
O8 Na3 O12 Na1 -32.09(10) . .
O7 Na3 O12 Na1 91.56(17) 2_545 .
Zn2 Na3 O12 Na1 -62.17(12) 2_545 .
C63 C58 O13 C71 -67.4(4) . .
C59 C58 O13 C71 115.7(3) . .
C63 C58 O13 Na2 90.0(3) . .
C59 C58 O13 Na2 -86.9(3) . .
C72 C71 O13 C58 -117.6(3) . .
C72 C71 O13 Na2 86.0(3) . .
O14 Na2 O13 C58 -72.7(2) . .
O16 Na2 O13 C58 75.1(2) . .
O19 Na2 O13 C58 -143.3(2) . .
O23 Na2 O13 C58 143.0(2) . .
O15 Na2 O13 C58 1.7(3) . .
C66 Na2 O13 C58 -122.0(2) . .
Zn1 Na2 O13 C58 178.6(2) . .
O14 Na2 O13 C71 83.4(2) . .
O16 Na2 O13 C71 -128.7(2) . .
O19 Na2 O13 C71 12.9(2) . .
O23 Na2 O13 C71 -60.8(2) . .
O15 Na2 O13 C71 157.8(2) . .
C66 Na2 O13 C71 34.2(2) . .
Zn1 Na2 O13 C71 -25.2(2) . .
C38 C37 O14 C65 91.9(3) . .
C42 C37 O14 C65 -86.1(3) . .
C38 C37 O14 Na2 -92.1(4) . .
C42 C37 O14 Na2 89.9(3) . .
C66 C65 O14 C37 176.6(3) . .
C66 C65 O14 Na2 -0.2(4) . .
O16 Na2 O14 C37 -5.1(4) . .
O19 Na2 O14 C37 179.1(3) . .
O23 Na2 O14 C37 -162.6(3) . .
O13 Na2 O14 C37 76.8(3) . .
O15 Na2 O14 C37 -72.7(3) . .
C66 Na2 O14 C37 -175.7(3) . .
Zn1 Na2 O14 C37 -170.0(3) . .
O16 Na2 O14 C65 170.8(2) . .
O19 Na2 O14 C65 -5.1(2) . .
O23 Na2 O14 C65 13.2(3) . .
O13 Na2 O14 C65 -107.3(2) . .
O15 Na2 O14 C65 103.1(2) . .
C66 Na2 O14 C65 0.1(2) . .
Zn1 Na2 O14 C65 5.9(2) . .
C48 C49 O15 C67 -70.0(3) . .
C44 C49 O15 C67 113.1(3) . .
C48 C49 O15 Na2 89.8(3) . .
C44 C49 O15 Na2 -87.1(3) . .
C68 C67 O15 C49 -117.7(3) . .
C68 C67 O15 Na2 80.8(3) . .
O14 Na2 O15 C49 74.0(2) . .
O16 Na2 O15 C49 -75.9(2) . .
O19 Na2 O15 C49 143.5(2) . .
O23 Na2 O15 C49 -145.0(2) . .
O13 Na2 O15 C49 -0.5(3) . .
C66 Na2 O15 C49 124.0(2) . .
Zn1 Na2 O15 C49 -177.7(2) . .
O14 Na2 O15 C67 -126.28(19) . .
O16 Na2 O15 C67 83.82(19) . .
O19 Na2 O15 C67 -56.8(2) . .
O23 Na2 O15 C67 14.66(19) . .
O13 Na2 O15 C67 159.2(2) . .
C66 Na2 O15 C67 -76.3(2) . .
Zn1 Na2 O15 C67 -17.97(19) . .
C51 C56 O16 C69 99.2(3) . .
C55 C56 O16 C69 -81.1(3) . .
C51 C56 O16 Na2 -94.5(3) . .
C55 C56 O16 Na2 85.3(3) . .
C70 C69 O16 C56 -173.2(3) . .
C70 C69 O16 Na2 17.8(3) . .
O14 Na2 O16 C56 9.8(3) . .
O19 Na2 O16 C56 -176.5(2) . .
O23 Na2 O16 C56 174.9(3) . .
O13 Na2 O16 C56 -71.2(3) . .
O15 Na2 O16 C56 78.3(2) . .
C66 Na2 O16 C56 167.8(3) . .
Zn1 Na2 O16 C56 175.2(2) . .
O14 Na2 O16 C69 175.6(2) . .
O19 Na2 O16 C69 -10.7(3) . .
O23 Na2 O16 C69 -19.3(2) . .
O13 Na2 O16 C69 94.6(2) . .
O15 Na2 O16 C69 -115.9(2) . .
C66 Na2 O16 C69 -26.5(4) . .
Zn1 Na2 O16 C69 -19.1(2) . .
O17 C72 O18 Zn2 6.8(4) . .
C71 C72 O18 Zn2 -175.9(2) . .
O17 C72 O18 Na3 -149.6(3) . 2_545
C71 C72 O18 Na3 27.8(4) . 2_545
O9 Zn2 O18 C72 63.5(2) . .
N1 Zn2 O18 C72 -58.3(2) . .
O7 Zn2 O18 C72 -177.53(19) 2_545 .
Na3 Zn2 O18 C72 -160.9(3) 2_545 .
O9 Zn2 O18 Na3 -135.63(10) . 2_545
N1 Zn2 O18 Na3 102.62(13) . 2_545
O7 Zn2 O18 Na3 -16.62(13) 2_545 2_545
O20 C66 O19 Zn1 23.9(5) . .
C65 C66 O19 Zn1 -157.0(3) . .
Na2 C66 O19 Zn1 -140.9(4) . .
O20 C66 O19 Na2 164.9(3) . .
C65 C66 O19 Na2 -16.1(4) . .
O25 Zn1 O19 C66 17.5(3) . .
O6 Zn1 O19 C66 -95.3(3) 2_545 .
O23 Zn1 O19 C66 150.6(3) . .
O1W Zn1 O19 C66 115.2(5) . .
Zn3 Zn1 O19 C66 -16.1(3) . .
Na2 Zn1 O19 C66 145.4(3) . .
O25 Zn1 O19 Na2 -127.92(11) . .
O6 Zn1 O19 Na2 119.28(9) 2_545 .
O23 Zn1 O19 Na2 5.22(9) . .
O1W Zn1 O19 Na2 -30.3(5) . .
Zn3 Zn1 O19 Na2 -161.52(9) . .
O14 Na2 O19 C66 11.4(2) . .
O16 Na2 O19 C66 -165.1(2) . .
O23 Na2 O19 C66 -156.6(3) . .
O13 Na2 O19 C66 93.5(2) . .
O15 Na2 O19 C66 -68.2(2) . .
Zn1 Na2 O19 C66 -151.9(3) . .
O14 Na2 O19 Zn1 163.29(11) . .
O16 Na2 O19 Zn1 -13.17(18) . .
O23 Na2 O19 Zn1 -4.65(8) . .
O13 Na2 O19 Zn1 -114.57(9) . .
O15 Na2 O19 Zn1 83.69(10) . .
C66 Na2 O19 Zn1 151.9(3) . .
O19 C66 O20 Zn3 -12.6(5) . .
C65 C66 O20 Zn3 168.2(2) . .
Na2 C66 O20 Zn3 24.7(9) . .
O25 Zn3 O20 C66 -34.8(3) . .
O5 Zn3 O20 C66 72.2(2) 2_545 .
O21 Zn3 O20 C66 -158.1(2) 2_655 .
O22 Zn3 O20 C66 168.2(2) 2_655 .
C68 Zn3 O20 C66 -178.9(2) 2_655 .
Zn1 Zn3 O20 C66 0.6(2) . .
O22 C68 O21 Zn3 2.4(3) . 2_655
C67 C68 O21 Zn3 -176.6(3) . 2_655
O21 C68 O22 Zn3 -2.3(3) . 2_655
C67 C68 O22 Zn3 176.7(2) . 2_655
O24 C70 O23 Zn1 8.5(5) . .
C69 C70 O23 Zn1 -172.3(2) . .
O24 C70 O23 Na2 162.9(3) . .
C69 C70 O23 Na2 -17.9(4) . .
O25 Zn1 O23 C70 -130.9(3) . .
O6 Zn1 O23 C70 57.8(3) 2_545 .
O1W Zn1 O23 C70 -35.8(3) . .
O19 Zn1 O23 C70 151.3(3) . .
Zn3 Zn1 O23 C70 174.2(2) . .
Na2 Zn1 O23 C70 156.7(3) . .
O25 Zn1 O23 Na2 72.45(16) . .
O6 Zn1 O23 Na2 -98.92(12) 2_545 .
O1W Zn1 O23 Na2 167.53(11) . .
O19 Zn1 O23 Na2 -5.39(9) . .
Zn3 Zn1 O23 Na2 17.48(18) . .
O14 Na2 O23 C70 -172.1(2) . .
O16 Na2 O23 C70 20.5(2) . .
O19 Na2 O23 C70 -153.8(2) . .
O13 Na2 O23 C70 -60.0(2) . .
O15 Na2 O23 C70 100.8(2) . .
C66 Na2 O23 C70 -161.9(2) . .
Zn1 Na2 O23 C70 -159.1(3) . .
O14 Na2 O23 Zn1 -13.0(2) . .
O16 Na2 O23 Zn1 179.63(12) . .
O19 Na2 O23 Zn1 5.36(9) . .
O13 Na2 O23 Zn1 99.15(11) . .
O15 Na2 O23 Zn1 -100.03(10) . .
C66 Na2 O23 Zn1 -2.79(11) . .
O6 Zn1 O25 Zn3 39.38(15) 2_545 .
O23 Zn1 O25 Zn3 -132.13(12) . .
O1W Zn1 O25 Zn3 134.13(12) . .
O19 Zn1 O25 Zn3 -58.05(11) . .
Na2 Zn1 O25 Zn3 -91.70(11) . .
O20 Zn3 O25 Zn1 72.53(13) . .
O5 Zn3 O25 Zn1 -35.60(13) 2_545 .
O21 Zn3 O25 Zn1 -136.52(11) 2_655 .
O22 Zn3 O25 Zn1 -172.94(17) 2_655 .
C68 Zn3 O25 Zn1 -148.11(11) 2_655 .
