#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/60/4506028.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_4506028
loop_
_publ_author_name
'Ding, Caixia'
'Zeng, Fanhua'
'Ni, Jia'
'Wang, Bingwu'
'Xie, Yongshu'
_publ_section_title
;
 Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and
 Oxazolidine Rings with Appended Alkoxyl and Phenol Groups
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2089
_journal_paper_doi               10.1021/cg300096n
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C321.4 H385.4 N25.4 Na8 O84 S10.6 Zn20'
_chemical_formula_weight         7780.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.4430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.148(2)
_cell_length_b                   15.2270(16)
_cell_length_c                   57.720(5)
_cell_measurement_reflns_used    1951
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.319
_cell_measurement_theta_min      2.315
_cell_volume                     17516(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1269
_diffrn_reflns_av_sigmaI/netI    0.3184
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       68
_diffrn_reflns_limit_l_min       -65
_diffrn_reflns_number            44463
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    1.495
_exptl_absorpt_correction_T_max  0.9026
_exptl_absorpt_correction_T_min  0.7852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             8042
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.944
_refine_diff_density_min         -1.466
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1147
_refine_ls_number_reflns         15126
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1446
_refine_ls_R_factor_gt           0.1159
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1376P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2065
_refine_ls_wR_factor_ref         0.2582
_reflns_number_gt                5263
_reflns_number_total             15126
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300096n_si_004.cif
_cod_data_source_block           101003a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C321.40 H385.40 N25.40 Na8 O84 S10.60 Zn20'
_cod_database_code               4506028
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'
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
Zn1 Zn 0.29800(10) 0.37847(13) 0.62954(4) 0.0432(6) Uani 1 1 d . . .
Zn2 Zn 0.15417(10) 0.41732(14) 0.65389(4) 0.0472(6) Uani 1 1 d . A .
Zn3 Zn 0.27377(11) 0.34831(15) 0.68684(4) 0.0503(6) Uani 1 1 d . A .
Zn4 Zn 0.35823(11) 0.28634(13) 0.58222(4) 0.0465(6) Uani 1 1 d . A .
Zn5 Zn 0.40420(10) 0.47182(13) 0.59420(4) 0.0449(6) Uani 1 1 d . A .
Na1 Na 0.4320(5) 0.3903(5) 0.54514(15) 0.084(3) Uani 1 1 d . . .
Na2 Na 0.1392(5) 0.3806(8) 0.70561(17) 0.111(4) Uani 1 1 d . . .
N1 N 0.0906(7) 0.3428(10) 0.6280(3) 0.053(4) Uani 1 1 d . . .
N2 N 0.3633(8) 0.4147(11) 0.7019(3) 0.061(4) Uani 1 1 d . . .
N3 N 0.3932(8) 0.1667(9) 0.5988(3) 0.054(4) Uani 1 1 d . . .
N4 N 0.3454(8) 0.5917(10) 0.5888(3) 0.055(4) Uani 1 1 d . . .
N5 N 0.188(2) 0.873(3) 0.5870(8) 0.190(16) Uani 1 1 d . . .
N6 N 0.5966(17) 0.313(2) 0.5087(5) 0.133(10) Uani 1 1 d . C .
N7 N 0.095(6) 0.117(7) 0.7203(16) 0.10(3) Uani 0.35 1 d P A 2
O1 O 0.0717(6) 0.4919(7) 0.6199(2) 0.053(3) Uani 1 1 d . . .
O2 O 0.2090(6) 0.4339(7) 0.6274(2) 0.048(3) Uani 1 1 d . . .
O3 O 0.1841(6) 0.3010(8) 0.6706(2) 0.052(3) Uani 1 1 d . A .
O4 O 0.0791(7) 0.4527(8) 0.6708(2) 0.067(4) Uani 1 1 d . A .
O5 O 0.3856(7) 0.2676(10) 0.7067(2) 0.069(4) Uani 1 1 d . . .
O6 O 0.3270(6) 0.3246(8) 0.6605(2) 0.054(3) Uani 1 1 d . . .
O7 O 0.2262(6) 0.4643(8) 0.6801(2) 0.053(3) Uani 1 1 d . A .
O8 O 0.2491(7) 0.3178(9) 0.7173(3) 0.070(4) Uani 1 1 d . A .
O9 O 0.4424(6) 0.6201(8) 0.6147(2) 0.056(3) Uani 1 1 d . . .
O10 O 0.3637(6) 0.4679(7) 0.6243(2) 0.050(3) Uani 1 1 d . . .
O11 O 0.3376(7) 0.4084(8) 0.5683(2) 0.056(3) Uani 1 1 d . A .
O12 O 0.4677(6) 0.5100(8) 0.5734(2) 0.063(4) Uani 1 1 d . A .
O13 O 0.2919(7) 0.1315(8) 0.5756(2) 0.060(4) Uani 1 1 d . . .
O14 O 0.2924(6) 0.2849(7) 0.6061(2) 0.049(3) Uani 1 1 d . . .
O15 O 0.4448(6) 0.3478(7) 0.5976(2) 0.051(3) Uani 1 1 d . . .
O16 O 0.3797(7) 0.2503(9) 0.5517(2) 0.065(4) Uani 1 1 d . A .
O17 O 0.2897(18) 0.835(2) 0.5854(6) 0.213(14) Uani 1 1 d . . .
O18 O 0.5233(11) 0.3608(13) 0.5293(4) 0.117(7) Uani 1 1 d . C .
O19 O 0.066(3) 0.250(4) 0.7100(8) 0.087(14) Uani 0.35 1 d P A 2
O20 O 0.3667(10) 0.4406(12) 0.5094(3) 0.113(6) Uani 1 1 d . C .
O21 O 0.1295(12) 0.4742(15) 0.7363(3) 0.130(7) Uani 1 1 d . A .
O22 O 0.074(3) 0.326(4) 0.7257(10) 0.097(17) Uani 0.30 1 d P A 1
O23 O 0.055(2) 0.109(3) 0.6935(9) 0.091(14) Uani 0.35 1 d P B 3
S1 S 0.3220(10) 0.4328(13) 0.4869(5) 0.120(10) Uani 0.60(5) 1 d P C 1
S2 S 0.1688(12) 0.5569(15) 0.7373(4) 0.141(11) Uani 0.52(3) 1 d P A 1
S3 S 0.0232(12) 0.3675(15) 0.7379(4) 0.086(7) Uani 0.30 1 d P . 1
S1' S 0.2986(15) 0.407(2) 0.5027(8) 0.120(15) Uani 0.40(5) 1 d P C 2
S2' S 0.0973(13) 0.5582(15) 0.7400(4) 0.141(11) Uani 0.48(3) 1 d P A 2
S4 S 0.0608(17) 0.076(2) 0.7173(6) 0.105(9) Uani 0.35 1 d P B 3
C1 C 0.1267(9) 0.3310(11) 0.6088(3) 0.053(5) Uani 1 1 d . A .
H1A H 0.0964 0.3178 0.5946 0.063 Uiso 1 1 calc R . .
H1B H 0.1589 0.2836 0.6119 0.063 Uiso 1 1 calc R . .
C2 C 0.1637(10) 0.4215(12) 0.6064(3) 0.053(5) Uani 1 1 d . A .
H2 H 0.1887 0.4188 0.5931 0.064 Uiso 1 1 calc R . .
C3 C 0.1120(9) 0.4928(12) 0.6024(3) 0.055(5) Uani 1 1 d . A .
H3A H 0.1341 0.5493 0.6022 0.066 Uiso 1 1 calc R . .
H3B H 0.0845 0.4843 0.5873 0.066 Uiso 1 1 calc R . .
C4 C 0.0357(9) 0.4100(12) 0.6221(3) 0.054(5) Uani 1 1 d . A .
H4 H 0.0090 0.3952 0.6070 0.065 Uiso 1 1 calc R . .
C5 C -0.0086(10) 0.4235(12) 0.6394(4) 0.055(5) Uani 1 1 d . . .
C6 C 0.0145(10) 0.4432(13) 0.6620(4) 0.059(5) Uani 1 1 d . A .
C7 C -0.0325(11) 0.4563(13) 0.6773(4) 0.068(6) Uani 1 1 d . . .
H7 H -0.0186 0.4708 0.6929 0.082 Uiso 1 1 calc R A .
C8 C -0.1000(11) 0.4472(14) 0.6688(4) 0.069(6) Uani 1 1 d . A .
H8 H -0.1304 0.4596 0.6790 0.082 Uiso 1 1 calc R . .
C9 C -0.1241(11) 0.4230(13) 0.6479(4) 0.062(6) Uani 1 1 d . . .
H9 H -0.1698 0.4137 0.6434 0.074 Uiso 1 1 calc R A .
C10 C -0.0765(10) 0.4113(12) 0.6320(4) 0.058(5) Uani 1 1 d . A .
H10 H -0.0914 0.3953 0.6166 0.070 Uiso 1 1 calc R . .
C11 C 0.0659(9) 0.2620(12) 0.6374(3) 0.055(5) Uani 1 1 d . A .
H11A H 0.0332 0.2351 0.6255 0.065 Uiso 1 1 calc R . .
H11B H 0.0433 0.2765 0.6506 0.065 Uiso 1 1 calc R . .
C12 C 0.1216(10) 0.1961(12) 0.6453(4) 0.055(5) Uani 1 1 d . . .
C13 C 0.1780(10) 0.2181(14) 0.6621(4) 0.056(5) Uani 1 1 d . A .
C14 C 0.2251(10) 0.1530(13) 0.6715(4) 0.058(5) Uani 1 1 d . . .
H14 H 0.2581 0.1646 0.6842 0.069 Uiso 1 1 calc R A .
C15 C 0.2195(11) 0.0736(14) 0.6609(3) 0.060(5) Uani 1 1 d . A .
H15 H 0.2536 0.0331 0.6654 0.072 Uiso 1 1 calc R . .
C16 C 0.1675(10) 0.0474(13) 0.6441(4) 0.059(5) Uani 1 1 d . . .
H16 H 0.1651 -0.0100 0.6386 0.071 Uiso 1 1 calc R A .
C17 C 0.1180(10) 0.1095(12) 0.6356(4) 0.060(5) Uani 1 1 d . A .
H17 H 0.0834 0.0943 0.6238 0.071 Uiso 1 1 calc R . .
C18 C 0.4036(10) 0.4219(13) 0.6823(3) 0.057(5) Uani 1 1 d . A .
H18A H 0.4501 0.4344 0.6884 0.069 Uiso 1 1 calc R . .
H18B H 0.3865 0.4691 0.6718 0.069 Uiso 1 1 calc R . .
C19 C 0.3980(10) 0.3350(13) 0.6695(3) 0.059(5) Uani 1 1 d . A .
H19 H 0.4246 0.3359 0.6566 0.071 Uiso 1 1 calc R . .
C20 C 0.4215(10) 0.2645(13) 0.6863(3) 0.063(6) Uani 1 1 d . A .
H20A H 0.4142 0.2079 0.6786 0.076 Uiso 1 1 calc R . .
H20B H 0.4693 0.2711 0.6914 0.076 Uiso 1 1 calc R . .
C21 C 0.3948(11) 0.3462(15) 0.7187(4) 0.064(6) Uani 1 1 d . A .
H21 H 0.4425 0.3583 0.7237 0.076 Uiso 1 1 calc R . .
C22 C 0.3561(12) 0.3398(15) 0.7399(4) 0.070(6) Uani 1 1 d . . .
C23 C 0.2890(12) 0.3248(15) 0.7376(4) 0.067(6) Uani 1 1 d . A .
C24 C 0.2645(13) 0.3188(15) 0.7588(4) 0.081(7) Uani 1 1 d . . .
H24 H 0.2193 0.3055 0.7581 0.097 Uiso 1 1 calc R A .
C25 C 0.3000(13) 0.3303(16) 0.7802(4) 0.080(7) Uani 1 1 d . A .
H25 H 0.2810 0.3236 0.7939 0.096 Uiso 1 1 calc R . .
C26 C 0.3686(13) 0.3536(16) 0.7806(4) 0.084(7) Uani 1 1 d . . .
H26 H 0.3942 0.3674 0.7949 0.101 Uiso 1 1 calc R A .
C27 C 0.3976(12) 0.3563(15) 0.7613(4) 0.076(7) Uani 1 1 d . A .
H27 H 0.4431 0.3685 0.7620 0.091 Uiso 1 1 calc R . .
C28 C 0.3498(11) 0.4995(13) 0.7127(4) 0.065(6) Uani 1 1 d . A .
H28A H 0.3918 0.5258 0.7197 0.078 Uiso 1 1 calc R . .
H28B H 0.3227 0.4895 0.7250 0.078 Uiso 1 1 calc R . .
C29 C 0.3141(10) 0.5603(13) 0.6950(3) 0.058(5) Uani 1 1 d . . .
C30 C 0.2504(10) 0.5452(13) 0.6800(3) 0.054(5) Uani 1 1 d . A .
C31 C 0.2198(10) 0.6121(13) 0.6661(3) 0.056(5) Uani 1 1 d . . .
H31 H 0.1782 0.6020 0.6572 0.067 Uiso 1 1 calc R A .
C32 C 0.2487(10) 0.6918(13) 0.6652(4) 0.059(5) Uani 1 1 d . A .
H32 H 0.2285 0.7351 0.6552 0.070 Uiso 1 1 calc R . .
C33 C 0.3082(11) 0.7078(15) 0.6793(4) 0.067(6) Uani 1 1 d . . .
H33 H 0.3266 0.7638 0.6790 0.081 Uiso 1 1 calc R A .
C34 C 0.3421(10) 0.6472(13) 0.6935(3) 0.059(5) Uani 1 1 d . A .
H34 H 0.3831 0.6613 0.7024 0.071 Uiso 1 1 calc R . .
C35 C 0.3631(10) 0.1637(13) 0.6212(3) 0.059(5) Uani 1 1 d . A .
H35A H 0.3881 0.2009 0.6330 0.071 Uiso 1 1 calc R . .
H35B H 0.3631 0.1041 0.6271 0.071 Uiso 1 1 calc R . .
C36 C 0.2905(10) 0.1978(12) 0.6144(3) 0.057(5) Uani 1 1 d . A .
H36 H 0.2662 0.1951 0.6279 0.068 Uiso 1 1 calc R . .
C37 C 0.2580(11) 0.1360(12) 0.5948(3) 0.060(6) Uani 1 1 d . A .
H37A H 0.2555 0.0774 0.6012 0.072 Uiso 1 1 calc R . .
H37B H 0.2125 0.1557 0.5895 0.072 Uiso 1 1 calc R . .
C38 C 0.3578(11) 0.1020(13) 0.5818(4) 0.061(6) Uani 1 1 d . C .
H38 H 0.3578 0.0440 0.5892 0.073 Uiso 1 1 calc R . .
C39 C 0.3875(11) 0.0964(13) 0.5606(4) 0.062(6) Uani 1 1 d . . .
C40 C 0.3988(11) 0.1697(14) 0.5457(4) 0.062(6) Uani 1 1 d . A .
C41 C 0.4227(11) 0.1534(14) 0.5258(4) 0.069(6) Uani 1 1 d . . .
H41 H 0.4253 0.1999 0.5155 0.083 Uiso 1 1 calc R C .
C42 C 0.4444(11) 0.0697(15) 0.5192(4) 0.070(6) Uani 1 1 d . C .
H42 H 0.4644 0.0621 0.5058 0.084 Uiso 1 1 calc R . .
C43 C 0.4344(11) -0.0020(14) 0.5340(4) 0.067(6) Uani 1 1 d . . .
H43 H 0.4441 -0.0593 0.5300 0.080 Uiso 1 1 calc R C .
C44 C 0.4112(11) 0.0156(14) 0.5532(4) 0.067(6) Uani 1 1 d . C .
H44 H 0.4100 -0.0312 0.5634 0.080 Uiso 1 1 calc R . .
C45 C 0.4677(10) 0.1600(13) 0.6043(3) 0.060(5) Uani 1 1 d . A .
H45A H 0.4793 0.1026 0.6110 0.072 Uiso 1 1 calc R . .
H45B H 0.4868 0.1648 0.5899 0.072 Uiso 1 1 calc R . .
C46 C 0.4970(10) 0.2256(11) 0.6203(3) 0.047(5) Uani 1 1 d . . .
C47 C 0.4848(10) 0.3228(12) 0.6164(4) 0.052(5) Uani 1 1 d . A .
C48 C 0.5223(9) 0.3854(12) 0.6309(3) 0.049(5) Uani 1 1 d . . .
H48 H 0.5194 0.4451 0.6275 0.059 Uiso 1 1 calc R A .
C49 C 0.5640(10) 0.3531(13) 0.6507(3) 0.055(5) Uani 1 1 d . A .
H49 H 0.5858 0.3937 0.6612 0.066 Uiso 1 1 calc R . .
C50 C 0.5748(10) 0.2665(13) 0.6554(4) 0.059(5) Uani 1 1 d . . .
H50 H 0.6040 0.2484 0.6685 0.071 Uiso 1 1 calc R A .
C51 C 0.5403(9) 0.2044(12) 0.6397(3) 0.052(5) Uani 1 1 d . A .
H51 H 0.5479 0.1451 0.6430 0.062 Uiso 1 1 calc R . .
C52 C 0.3027(10) 0.5940(12) 0.6071(3) 0.055(5) Uani 1 1 d . A .
H52A H 0.2627 0.5591 0.6025 0.066 Uiso 1 1 calc R . .
H52B H 0.2893 0.6539 0.6097 0.066 Uiso 1 1 calc R . .
C53 C 0.3442(9) 0.5559(12) 0.6299(3) 0.054(5) Uani 1 1 d . A .
H53 H 0.3177 0.5556 0.6429 0.065 Uiso 1 1 calc R . .
C54 C 0.4036(9) 0.6113(12) 0.6353(3) 0.053(5) Uani 1 1 d . A .
H54A H 0.4328 0.5865 0.6485 0.064 Uiso 1 1 calc R . .
H54B H 0.3899 0.6692 0.6398 0.064 Uiso 1 1 calc R . .
C55 C 0.4034(10) 0.6528(12) 0.5953(4) 0.058(5) Uani 1 1 d . C .
H55 H 0.3860 0.7101 0.5992 0.069 Uiso 1 1 calc R . .
C56 C 0.4480(10) 0.6658(13) 0.5770(4) 0.062(6) Uani 1 1 d . . .
C57 C 0.4787(10) 0.5917(14) 0.5676(4) 0.063(6) Uani 1 1 d . A .
C58 C 0.5205(10) 0.6113(14) 0.5505(4) 0.068(6) Uani 1 1 d . . .
H58 H 0.5389 0.5652 0.5430 0.082 Uiso 1 1 calc R C .
C59 C 0.5348(11) 0.6972(15) 0.5445(4) 0.072(6) Uani 1 1 d . C .
H59 H 0.5663 0.7089 0.5346 0.086 Uiso 1 1 calc R . .
C60 C 0.5015(11) 0.7631(15) 0.5535(4) 0.072(6) Uani 1 1 d . . .
H60 H 0.5095 0.8205 0.5491 0.086 Uiso 1 1 calc R C .
C61 C 0.4575(11) 0.7495(14) 0.5684(4) 0.068(6) Uani 1 1 d . C .
H61 H 0.4331 0.7965 0.5731 0.081 Uiso 1 1 calc R . .
C62 C 0.3104(10) 0.5990(12) 0.5642(3) 0.060(6) Uani 1 1 d . C .
H62A H 0.2888 0.6559 0.5620 0.072 Uiso 1 1 calc R . .
H62B H 0.3431 0.5949 0.5534 0.072 Uiso 1 1 calc R . .
C63 C 0.2596(10) 0.5290(14) 0.5588(3) 0.058(5) Uani 1 1 d . . .
C64 C 0.2740(11) 0.4399(14) 0.5594(4) 0.061(6) Uani 1 1 d . A .
C65 C 0.2244(11) 0.3760(14) 0.5509(3) 0.063(6) Uani 1 1 d . . .
H65 H 0.2354 0.3167 0.5513 0.076 Uiso 1 1 calc R C .
C66 C 0.1623(11) 0.4018(14) 0.5425(3) 0.061(6) Uani 1 1 d . C .
H66 H 0.1302 0.3594 0.5374 0.073 Uiso 1 1 calc R . .
C67 C 0.1441(11) 0.4883(15) 0.5409(4) 0.070(6) Uani 1 1 d . . .
H67 H 0.1011 0.5054 0.5344 0.084 Uiso 1 1 calc R C .
C68 C 0.1947(10) 0.5523(13) 0.5498(3) 0.061(6) Uani 1 1 d . C .
H68 H 0.1829 0.6114 0.5496 0.074 Uiso 1 1 calc R . .
C69 C 0.245(3) 0.889(3) 0.5791(10) 0.21(2) Uani 1 1 d . . .
H69 H 0.2505 0.9368 0.5697 0.248 Uiso 1 1 calc R . .
C70 C 0.172(2) 0.790(3) 0.5978(8) 0.21(2) Uani 1 1 d . . .
H70A H 0.2100 0.7711 0.6087 0.315 Uiso 1 1 calc R . .
H70B H 0.1617 0.7457 0.5859 0.315 Uiso 1 1 calc R . .
H70C H 0.1340 0.7976 0.6059 0.315 Uiso 1 1 calc R . .
C71 C 0.129(2) 0.932(2) 0.5808(7) 0.190(18) Uani 1 1 d . . .
H71A H 0.1417 0.9905 0.5859 0.284 Uiso 1 1 calc R . .
H71B H 0.0928 0.9121 0.5884 0.284 Uiso 1 1 calc R . .
H71C H 0.1161 0.9316 0.5641 0.284 Uiso 1 1 calc R . .
C72 C 0.550(2) 0.372(3) 0.5116(7) 0.133(12) Uani 1 1 d . . .
H72 H 0.5388 0.4179 0.5012 0.159 Uiso 1 1 calc R C .
C73 C 0.6332(19) 0.318(2) 0.4885(7) 0.162(14) Uani 1 1 d . . .
H73A H 0.6050 0.2971 0.4747 0.243 Uiso 1 1 calc R C .
H73B H 0.6728 0.2823 0.4914 0.243 Uiso 1 1 calc R . .
H73C H 0.6457 0.3778 0.4861 0.243 Uiso 1 1 calc R . .
C74 C 0.616(2) 0.240(3) 0.5249(7) 0.173(15) Uani 1 1 d . . .
H74A H 0.6632 0.2311 0.5264 0.259 Uiso 1 1 calc R C .
H74B H 0.5926 0.1881 0.5189 0.259 Uiso 1 1 calc R . .
H74C H 0.6035 0.2544 0.5399 0.259 Uiso 1 1 calc R . .
C75 C 0.108(4) 0.191(6) 0.7099(13) 0.08(2) Uani 0.35 1 d P A 2
H75 H 0.1461 0.1979 0.7028 0.097 Uiso 0.35 1 calc PR A 2
C76 C 0.143(5) 0.043(7) 0.7212(15) 0.11(3) Uani 0.35 1 d P A 2
H76A H 0.1774 0.0495 0.7343 0.160 Uiso 0.35 1 calc PR A 2
H76B H 0.1624 0.0410 0.7070 0.160 Uiso 0.35 1 calc PR A 2
H76C H 0.1189 -0.0112 0.7227 0.160 Uiso 0.35 1 calc PR A 2
C77 C 0.036(5) 0.100(6) 0.7317(18) 0.10(3) Uani 0.35 1 d P A 2
H77A H 0.0385 0.0416 0.7377 0.154 Uiso 0.35 1 calc PR A 2
H77B H -0.0035 0.1072 0.7205 0.154 Uiso 0.35 1 calc PR A 2
H77C H 0.0355 0.1413 0.7443 0.154 Uiso 0.35 1 calc PR A 2
C78 C 0.2935(16) 0.323(2) 0.4820(5) 0.139(11) Uani 1 1 d . . .
H78A H 0.3306 0.2857 0.4796 0.209 Uiso 0.60(5) 1 calc PR C 1
H78B H 0.2599 0.3205 0.4684 0.209 Uiso 0.60(5) 1 calc PR C 1
H78C H 0.2747 0.3021 0.4954 0.209 Uiso 0.60(5) 1 calc PR C 1
H78D H 0.3213 0.2735 0.4876 0.209 Uiso 0.40(5) 1 d PR C 2
H78E H 0.3063 0.3436 0.4676 0.209 Uiso 0.40(5) 1 d PR C 2
H78F H 0.2474 0.3044 0.4793 0.209 Uiso 0.40(5) 1 d PR C 2
C79 C 0.2431(14) 0.4878(19) 0.4898(5) 0.122(10) Uani 1 1 d . . .
H79A H 0.2512 0.5494 0.4924 0.183 Uiso 0.60(5) 1 calc PR C 1
H79B H 0.2247 0.4631 0.5028 0.183 Uiso 0.60(5) 1 calc PR C 1
H79C H 0.2120 0.4797 0.4757 0.183 Uiso 0.60(5) 1 calc PR C 1
H79D H 0.2004 0.4815 0.4951 0.183 Uiso 0.40(5) 1 d PR C 2
H79E H 0.2373 0.4841 0.4730 0.183 Uiso 0.40(5) 1 d PR C 2
H79F H 0.2622 0.5437 0.4947 0.183 Uiso 0.40(5) 1 d PR C 2
C80 C 0.1180(17) 0.625(2) 0.7169(5) 0.139(12) Uani 1 1 d . . .
H80A H 0.1222 0.6065 0.7013 0.208 Uiso 0.52(3) 1 calc PR A 1
H80B H 0.1323 0.6847 0.7191 0.208 Uiso 0.52(3) 1 calc PR A 1
H80C H 0.0720 0.6198 0.7193 0.208 Uiso 0.52(3) 1 calc PR A 1
H80D H 0.1563 0.6626 0.7205 0.208 Uiso 0.48(3) 1 d PR A 2
H80E H 0.0783 0.6597 0.7130 0.208 Uiso 0.48(3) 1 d PR A 2
H80F H 0.1239 0.5881 0.7038 0.208 Uiso 0.48(3) 1 d PR A 2
C81 C 0.1541(18) 0.579(2) 0.7663(6) 0.149(12) Uani 1 1 d . . .
H81A H 0.1822 0.5415 0.7770 0.224 Uiso 0.52(3) 1 calc PR A 1
H81B H 0.1079 0.5673 0.7675 0.224 Uiso 0.52(3) 1 calc PR A 1
H81C H 0.1643 0.6391 0.7701 0.224 Uiso 0.52(3) 1 calc PR A 1
H81D H 0.1815 0.5269 0.7683 0.224 Uiso 0.48(3) 1 d PR A 2
H81E H 0.1343 0.5888 0.7802 0.224 Uiso 0.48(3) 1 d PR A 2
H81F H 0.1813 0.6282 0.7635 0.224 Uiso 0.48(3) 1 d PR A 2
C82 C 0.054(2) 0.321(3) 0.7659(7) 0.097(14) Uani 0.60 1 d P . 1
H82A H 0.0987 0.3412 0.7712 0.146 Uiso 0.60 1 d PR . 1
H82B H 0.0536 0.2583 0.7648 0.146 Uiso 0.60 1 d PR . 1
H82C H 0.0248 0.3394 0.7768 0.146 Uiso 0.60 1 d PR . 1
C83 C 0.146(6) 0.115(7) 0.7256(17) 0.10(3) Uani 0.35 1 d P B 3
H83A H 0.1772 0.0687 0.7242 0.144 Uiso 0.35 1 calc PR B 3
H83B H 0.1516 0.1358 0.7415 0.144 Uiso 0.35 1 calc PR B 3
H83C H 0.1544 0.1630 0.7155 0.144 Uiso 0.35 1 calc PR B 3
C84 C -0.001(5) 0.151(6) 0.7255(15) 0.11(3) Uani 0.35 1 d P B 3
H84A H -0.0121 0.1935 0.7132 0.160 Uiso 0.35 1 calc PR B 3
H84B H 0.0173 0.1810 0.7397 0.160 Uiso 0.35 1 calc PR B 3
H84C H -0.0404 0.1195 0.7279 0.160 Uiso 0.35 1 calc PR B 3
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'
S S 0.1246 0.1234 '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'
Zn Zn 0.2839 1.4301 '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
O10 Zn1 O14 111.9(5) . .
O10 Zn1 O2 108.8(5) . .
O14 Zn1 O2 108.0(5) . .
O10 Zn1 O6 108.2(5) . .
O14 Zn1 O6 107.7(5) . .
O2 Zn1 O6 112.3(5) . .
O4 Zn2 O2 150.7(5) . .
O4 Zn2 O3 101.2(5) . .
O2 Zn2 O3 107.8(5) . .
O4 Zn2 O7 92.9(5) . .
O2 Zn2 O7 96.2(5) . .
O3 Zn2 O7 80.2(5) . .
O4 Zn2 N1 93.7(6) . .
O2 Zn2 N1 82.9(5) . .
O3 Zn2 N1 88.6(5) . .
O7 Zn2 N1 167.9(5) . .
O4 Zn2 Zn3 112.2(4) . .
O2 Zn2 Zn3 92.6(3) . .
O3 Zn2 Zn3 42.1(3) . .
O7 Zn2 Zn3 41.5(3) . .
N1 Zn2 Zn3 126.3(4) . .
O4 Zn2 Na2 52.3(4) . .
O2 Zn2 Na2 152.9(4) . .
O3 Zn2 Na2 57.1(4) . .
O7 Zn2 Na2 60.8(4) . .
N1 Zn2 Na2 116.3(5) . .
Zn3 Zn2 Na2 60.9(2) . .
O8 Zn3 O6 150.4(5) . .
O8 Zn3 O7 101.8(5) . .
O6 Zn3 O7 107.6(5) . .
O8 Zn3 O3 90.3(6) . .
O6 Zn3 O3 97.1(5) . .
O7 Zn3 O3 81.8(5) . .
O8 Zn3 N2 93.3(6) . .
O6 Zn3 N2 83.1(6) . .
O7 Zn3 N2 90.7(6) . .
O3 Zn3 N2 172.3(6) . .
O8 Zn3 Zn2 111.3(4) . .
O6 Zn3 Zn2 92.9(4) . .
O7 Zn3 Zn2 42.7(4) . .
O3 Zn3 Zn2 42.7(3) . .
N2 Zn3 Zn2 129.6(5) . .
O8 Zn3 Na2 51.1(5) . .
O6 Zn3 Na2 151.6(4) . .
O7 Zn3 Na2 60.9(4) . .
O3 Zn3 Na2 57.1(4) . .
N2 Zn3 Na2 120.8(5) . .
Zn2 Zn3 Na2 60.60(19) . .
O16 Zn4 O11 87.7(5) . .
O16 Zn4 O14 148.7(5) . .
O11 Zn4 O14 99.1(5) . .
O16 Zn4 O15 103.4(5) . .
O11 Zn4 O15 82.4(5) . .
O14 Zn4 O15 107.7(5) . .
O16 Zn4 N3 93.6(6) . .
O11 Zn4 N3 171.8(6) . .
O14 Zn4 N3 83.9(5) . .
O15 Zn4 N3 89.5(6) . .
O16 Zn4 Zn5 111.6(4) . .
O11 Zn4 Zn5 43.7(4) . .
O14 Zn4 Zn5 93.6(3) . .
O15 Zn4 Zn5 42.8(3) . .
N3 Zn4 Zn5 128.8(4) . .
O16 Zn4 Na1 49.4(4) . .
O11 Zn4 Na1 51.3(4) . .
O14 Zn4 Na1 150.0(4) . .
O15 Zn4 Na1 67.5(4) . .
N3 Zn4 Na1 124.6(5) . .
Zn5 Zn4 Na1 62.19(16) . .
O12 Zn5 O10 155.9(5) . .
O12 Zn5 O15 92.6(5) . .
O10 Zn5 O15 95.4(5) . .
O12 Zn5 O11 96.1(5) . .
O10 Zn5 O11 107.6(5) . .
O15 Zn5 O11 81.4(5) . .
O12 Zn5 N4 93.0(6) . .
O10 Zn5 N4 82.5(5) . .
O15 Zn5 N4 170.4(5) . .
O11 Zn5 N4 90.3(6) . .
O12 Zn5 Zn4 110.0(4) . .
O10 Zn5 Zn4 91.2(3) . .
O15 Zn5 Zn4 42.9(3) . .
O11 Zn5 Zn4 42.4(3) . .
N4 Zn5 Zn4 127.6(4) . .
O12 Zn5 Na1 50.4(4) . .
O10 Zn5 Na1 152.6(4) . .
O15 Zn5 Na1 67.2(4) . .
O11 Zn5 Na1 50.9(4) . .
N4 Zn5 Na1 111.0(5) . .
Zn4 Zn5 Na1 61.61(16) . .
O18 Na1 O20 95.4(8) . .
O18 Na1 O16 106.9(7) . .
O20 Na1 O16 102.6(6) . .
O18 Na1 O12 104.0(7) . .
O20 Na1 O12 113.5(6) . .
O16 Na1 O12 129.3(6) . .
O18 Na1 O11 170.7(8) . .
O20 Na1 O11 93.5(6) . .
O16 Na1 O11 68.4(5) . .
O12 Na1 O11 74.8(5) . .
O18 Na1 Zn4 132.1(6) . .
O20 Na1 Zn4 118.9(6) . .
O16 Na1 Zn4 37.6(3) . .
O12 Na1 Zn4 92.5(4) . .
O11 Na1 Zn4 39.7(3) . .
O18 Na1 Zn5 134.7(7) . .
O20 Na1 Zn5 119.2(6) . .
O16 Na1 Zn5 93.8(4) . .
O12 Na1 Zn5 37.7(3) . .
O11 Na1 Zn5 40.6(3) . .
Zn4 Na1 Zn5 56.20(15) . .
O18 Na1 S1' 109.7(10) . .
O20 Na1 S1' 22.3(9) . .
O16 Na1 S1' 81.9(8) . .
O12 Na1 S1' 123.2(6) . .
O11 Na1 S1' 78.1(9) . .
Zn4 Na1 S1' 97.1(9) . .
Zn5 Na1 S1' 112.9(7) . .
O22 Na2 O21 71.4(19) . .
O22 Na2 O8 108.8(17) . .
O21 Na2 O8 102.0(8) . .
O22 Na2 O4 111.3(17) . .
O21 Na2 O4 105.5(7) . .
O8 Na2 O4 136.7(6) . .
O22 Na2 O19 35.8(18) . .
O21 Na2 O19 107.2(14) . .
O8 Na2 O19 100.7(14) . .
O4 Na2 O19 102.2(13) . .
O22 Na2 O3 124.8(19) . .
O21 Na2 O3 162.5(9) . .
O8 Na2 O3 68.1(5) . .
O4 Na2 O3 76.1(5) . .
O19 Na2 O3 89.2(13) . .
O22 Na2 O7 176.1(19) . .
O21 Na2 O7 104.8(8) . .
O8 Na2 O7 72.7(5) . .
O4 Na2 O7 68.4(5) . .
O19 Na2 O7 148.0(13) . .
O3 Na2 O7 59.1(4) . .
O22 Na2 C75 53(2) . .
O21 Na2 C75 119.6(16) . .
O8 Na2 C75 77.8(16) . .
O4 Na2 C75 114.7(16) . .
O19 Na2 C75 24.1(16) . .
O3 Na2 C75 73.5(15) . .
O7 Na2 C75 130.6(15) . .
O22 Na2 Zn2 141.1(18) . .
O21 Na2 Zn2 131.4(7) . .
O8 Na2 Zn2 97.2(5) . .
O4 Na2 Zn2 39.9(3) . .
O19 Na2 Zn2 112.5(12) . .
O3 Na2 Zn2 41.3(3) . .
O7 Na2 Zn2 40.8(3) . .
C75 Na2 Zn2 107.9(14) . .
O22 Na2 Zn3 143.2(17) . .
O21 Na2 Zn3 122.9(8) . .
O8 Na2 Zn3 38.9(4) . .
O4 Na2 Zn3 97.8(4) . .
O19 Na2 Zn3 117.7(14) . .
O3 Na2 Zn3 40.7(3) . .
O7 Na2 Zn3 39.8(3) . .
C75 Na2 Zn3 94.7(16) . .
Zn2 Na2 Zn3 58.53(18) . .
O22 Na2 S3 20.3(17) . .
O21 Na2 S3 55.9(8) . .
O8 Na2 S3 122.0(7) . .
O4 Na2 S3 101.0(6) . .
O19 Na2 S3 53.4(13) . .
O3 Na2 S3 141.5(7) . .
O7 Na2 S3 156.0(6) . .
C75 Na2 S3 73.1(16) . .
Zn2 Na2 S3 139.1(6) . .
Zn3 Na2 S3 160.6(6) . .
O22 Na2 S2 95.5(18) . .
O21 Na2 S2 24.0(7) . .
O8 Na2 S2 94.9(6) . .
O4 Na2 S2 96.9(6) . .
O19 Na2 S2 131.3(13) . .
O3 Na2 S2 139.2(7) . .
O7 Na2 S2 80.8(6) . .
C75 Na2 S2 141.1(15) . .
Zn2 Na2 S2 110.9(5) . .
Zn3 Na2 S2 103.3(5) . .
S3 Na2 S2 79.2(6) . .
C1 N1 C11 115.1(14) . .
C1 N1 C4 110.5(14) . .
C11 N1 C4 112.1(14) . .
C1 N1 Zn2 106.8(11) . .
C11 N1 Zn2 112.8(12) . .
C4 N1 Zn2 98.2(10) . .
C28 N2 C18 114.3(15) . .
C28 N2 C21 114.8(16) . .
C18 N2 C21 108.4(15) . .
C28 N2 Zn3 112.8(12) . .
C18 N2 Zn3 104.4(11) . .
C21 N2 Zn3 100.7(12) . .
C45 N3 C38 117.7(15) . .
C45 N3 C35 109.5(15) . .
C38 N3 C35 109.1(15) . .
C45 N3 Zn4 114.3(12) . .
C38 N3 Zn4 100.1(11) . .
C35 N3 Zn4 105.2(11) . .
C52 N4 C62 116.2(15) . .
C52 N4 C55 108.8(14) . .
C62 N4 C55 115.8(15) . .
C52 N4 Zn5 106.4(11) . .
C62 N4 Zn5 111.8(12) . .
C55 N4 Zn5 95.5(11) . .
C69 N5 C70 124(4) . .
C69 N5 C71 120(5) . .
C70 N5 C71 115(4) . .
C72 N6 C74 124(3) . .
C72 N6 C73 121(3) . .
C74 N6 C73 115(3) . .
C75 N7 C77 125(9) . .
C75 N7 C76 121(10) . .
C77 N7 C76 114(9) . .
C3 O1 C4 115.1(13) . .
C2 O2 Zn1 117.5(10) . .
C2 O2 Zn2 105.9(10) . .
Zn1 O2 Zn2 119.4(6) . .
C13 O3 Zn3 121.5(12) . .
C13 O3 Zn2 128.7(12) . .
Zn3 O3 Zn2 95.2(5) . .
C13 O3 Na2 133.3(10) . .
Zn3 O3 Na2 82.3(5) . .
Zn2 O3 Na2 81.6(5) . .
C6 O4 Zn2 123.8(13) . .
C6 O4 Na2 126.9(13) . .
Zn2 O4 Na2 87.8(6) . .
C21 O5 C20 112.5(15) . .
C19 O6 Zn1 114.8(10) . .
C19 O6 Zn3 108.5(11) . .
Zn1 O6 Zn3 119.2(6) . .
C30 O7 Zn3 130.5(12) . .
C30 O7 Zn2 122.5(12) . .
Zn3 O7 Zn2 95.7(5) . .
C30 O7 Na2 134.1(11) . .
Zn3 O7 Na2 79.3(4) . .
Zn2 O7 Na2 78.3(4) . .
C23 O8 Zn3 125.3(13) . .
C23 O8 Na2 128.8(13) . .
Zn3 O8 Na2 89.9(6) . .
C55 O9 C54 111.9(14) . .
C53 O10 Zn1 113.5(10) . .
C53 O10 Zn5 108.7(10) . .
Zn1 O10 Zn5 121.3(6) . .
C64 O11 Zn4 125.5(11) . .
C64 O11 Zn5 124.3(12) . .
Zn4 O11 Zn5 93.9(5) . .
C64 O11 Na1 124.9(11) . .
Zn4 O11 Na1 89.0(5) . .
Zn5 O11 Na1 88.5(5) . .
C57 O12 Zn5 125.7(13) . .
C57 O12 Na1 124.9(13) . .
Zn5 O12 Na1 91.9(5) . .
C37 O13 C38 111.8(16) . .
C36 O14 Zn1 116.6(10) . .
C36 O14 Zn4 106.9(10) . .
Zn1 O14 Zn4 118.7(6) . .
C47 O15 Zn5 122.4(11) . .
C47 O15 Zn4 127.2(11) . .
Zn5 O15 Zn4 94.3(5) . .
C40 O16 Zn4 126.6(13) . .
C40 O16 Na1 127.9(13) . .
Zn4 O16 Na1 93.0(6) . .
C72 O18 Na1 144(3) . .
C75 O19 Na2 100(5) . .
S1' O20 S1 46.3(12) . .
S1' O20 Na1 119(2) . .
S1 O20 Na1 156.6(14) . .
S2' O21 S2 59.9(14) . .
S2' O21 Na2 137.8(16) . .
S2 O21 Na2 116.7(15) . .
S3 O22 Na2 130(4) . .
O20 S1 C78 111(2) . .
O20 S1 C79 108.1(19) . .
C78 S1 C79 100.5(18) . .
O20 S1 H78E 130.7 . .
C78 S1 H78E 31.5 . .
C79 S1 H78E 109.5 . .
O21 S2 C81 91.9(18) . .
O21 S2 C80 102.5(19) . .
C81 S2 C80 110.9(18) . .
O21 S2 Na2 39.2(10) . .
C81 S2 Na2 130.0(15) . .
C80 S2 Na2 93.9(13) . .
O21 S2 H81D 79.8 . .
C81 S2 H81D 30.9 . .
C80 S2 H81D 141.2 . .
Na2 S2 H81D 109.4 . .
O21 S2 H81F 122.5 . .
C81 S2 H81F 30.7 . .
C80 S2 H81F 101.3 . .
Na2 S2 H81F 159.4 . .
H81D S2 H81F 50.5 . .
O22 S3 C82 117(3) . 2_556
O22 S3 C82 95(3) . .
C82 S3 C82 98(3) 2_556 .
O22 S3 S3 149(3) . 2_556
C82 S3 S3 61.7(17) 2_556 2_556
C82 S3 S3 56.4(16) . 2_556
O22 S3 Na2 29(2) . .
C82 S3 Na2 133.2(17) 2_556 .
C82 S3 Na2 111.5(17) . .
S3 S3 Na2 164(2) 2_556 .
O20 S1' C78 114(3) . .
O20 S1' C79 112(3) . .
C78 S1' C79 105(2) . .
O20 S1' Na1 38.5(13) . .
C78 S1' Na1 113.9(15) . .
C79 S1' Na1 138.5(15) . .
O21 S2' C80 103.5(18) . .
O21 S2' C81 91.8(19) . .
C80 S2' C81 110(2) . .
O23 S4 C84 94(4) . .
O23 S4 C83 94(4) . .
C84 S4 C83 112(5) . .
N1 C1 C2 105.0(14) . .
N1 C1 H1A 110.7 . .
C2 C1 H1A 110.7 . .
N1 C1 H1B 110.7 . .
C2 C1 H1B 110.7 . .
H1A C1 H1B 108.8 . .
O2 C2 C3 112.4(15) . .
O2 C2 C1 107.0(15) . .
C3 C2 C1 108.6(15) . .
O2 C2 H2 109.6 . .
C3 C2 H2 109.6 . .
C1 C2 H2 109.6 . .
O1 C3 C2 110.4(15) . .
O1 C3 H3A 109.6 . .
C2 C3 H3A 109.6 . .
O1 C3 H3B 109.6 . .
C2 C3 H3B 109.6 . .
H3A C3 H3B 108.1 . .
C5 C4 O1 107.6(15) . .
C5 C4 N1 116.4(16) . .
O1 C4 N1 103.9(14) . .
C5 C4 H4 109.5 . .
O1 C4 H4 109.5 . .
N1 C4 H4 109.5 . .
C6 C5 C10 120.8(19) . .
C6 C5 C4 122.6(19) . .
C10 C5 C4 117(2) . .
O4 C6 C5 124.6(18) . .
O4 C6 C7 117(2) . .
C5 C6 C7 118(2) . .
C8 C7 C6 119(2) . .
C8 C7 H7 120.5 . .
C6 C7 H7 120.5 . .
C9 C8 C7 125(2) . .
C9 C8 H8 117.3 . .
C7 C8 H8 117.3 . .
C8 C9 C10 116(2) . .
C8 C9 H9 122.0 . .
C10 C9 H9 122.0 . .
C5 C10 C9 121(2) . .
C5 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
N1 C11 C12 112.9(15) . .
N1 C11 H11A 109.0 . .
C12 C11 H11A 109.0 . .
N1 C11 H11B 109.0 . .
C12 C11 H11B 109.0 . .
H11A C11 H11B 107.8 . .
C13 C12 C17 118.3(19) . .
C13 C12 C11 121.8(17) . .
C17 C12 C11 119.9(18) . .
O3 C13 C12 119.2(18) . .
O3 C13 C14 119.4(19) . .
C12 C13 C14 121.2(19) . .
C15 C14 C13 116(2) . .
C15 C14 H14 121.8 . .
C13 C14 H14 121.8 . .
C14 C15 C16 126(2) . .
C14 C15 H15 117.2 . .
C16 C15 H15 117.2 . .
C15 C16 C17 118.6(19) . .
C15 C16 H16 120.7 . .
C17 C16 H16 120.7 . .
C16 C17 C12 119.3(19) . .
C16 C17 H17 120.4 . .
C12 C17 H17 120.4 . .
N2 C18 C19 107.3(15) . .
N2 C18 H18A 110.3 . .
C19 C18 H18A 110.3 . .
N2 C18 H18B 110.3 . .
C19 C18 H18B 110.3 . .
H18A C18 H18B 108.5 . .
O6 C19 C20 110.9(16) . .
O6 C19 C18 105.5(16) . .
C20 C19 C18 108.7(16) . .
O6 C19 H19 110.5 . .
C20 C19 H19 110.5 . .
C18 C19 H19 110.5 . .
O5 C20 C19 110.8(16) . .
O5 C20 H20A 109.5 . .
C19 C20 H20A 109.5 . .
O5 C20 H20B 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 108.1 . .
O5 C21 N2 105.4(16) . .
O5 C21 C22 107.1(17) . .
N2 C21 C22 109.9(17) . .
O5 C21 H21 111.4 . .
N2 C21 H21 111.4 . .
C22 C21 H21 111.4 . .
C23 C22 C27 125(2) . .
C23 C22 C21 123(2) . .
C27 C22 C21 112(2) . .
O8 C23 C22 124(2) . .
O8 C23 C24 122(2) . .
C22 C23 C24 114(2) . .
C25 C24 C23 126(2) . .
C25 C24 H24 116.8 . .
C23 C24 H24 116.8 . .
C24 C25 C26 115(2) . .
C24 C25 H25 122.3 . .
C26 C25 H25 122.3 . .
C27 C26 C25 123(2) . .
C27 C26 H26 118.6 . .
C25 C26 H26 118.6 . .
C26 C27 C22 117(2) . .
C26 C27 H27 121.6 . .
C22 C27 H27 121.6 . .
N2 C28 C29 110.8(16) . .
N2 C28 H28A 109.5 . .
C29 C28 H28A 109.5 . .
N2 C28 H28B 109.5 . .
C29 C28 H28B 109.5 . .
H28A C28 H28B 108.1 . .
C34 C29 C30 115.2(19) . .
C34 C29 C28 117.3(19) . .
C30 C29 C28 127.3(18) . .
O7 C30 C31 123.7(19) . .
O7 C30 C29 115.8(18) . .
C31 C30 C29 120.5(19) . .
C32 C31 C30 122(2) . .
C32 C31 H31 119.2 . .
C30 C31 H31 119.2 . .
C31 C32 C33 119(2) . .
C31 C32 H32 120.5 . .
C33 C32 H32 120.5 . .
C34 C33 C32 124(2) . .
C34 C33 H33 118.0 . .
C32 C33 H33 118.0 . .
C33 C34 C29 120(2) . .
C33 C34 H34 120.2 . .
C29 C34 H34 120.2 . .
N3 C35 C36 105.0(15) . .
N3 C35 H35A 110.7 . .
C36 C35 H35A 110.7 . .
N3 C35 H35B 110.7 . .
C36 C35 H35B 110.7 . .
H35A C35 H35B 108.8 . .
O14 C36 C37 110.6(15) . .
O14 C36 C35 109.2(15) . .
C37 C36 C35 105.3(16) . .
O14 C36 H36 110.6 . .
C37 C36 H36 110.6 . .
C35 C36 H36 110.6 . .
O13 C37 C36 114.3(16) . .
O13 C37 H37A 108.7 . .
C36 C37 H37A 108.7 . .
O13 C37 H37B 108.7 . .
C36 C37 H37B 108.7 . .
H37A C37 H37B 107.6 . .
O13 C38 C39 107.3(17) . .
O13 C38 N3 107.5(15) . .
C39 C38 N3 112.2(17) . .
O13 C38 H38 109.9 . .
C39 C38 H38 109.9 . .
N3 C38 H38 109.9 . .
C44 C39 C38 121(2) . .
C44 C39 C40 114(2) . .
C38 C39 C40 125.4(18) . .
C41 C40 O16 123(2) . .
C41 C40 C39 118(2) . .
O16 C40 C39 118.5(19) . .
C40 C41 C42 124(2) . .
C40 C41 H41 117.9 . .
C42 C41 H41 117.9 . .
C43 C42 C41 117(2) . .
C43 C42 H42 121.5 . .
C41 C42 H42 121.5 . .
C44 C43 C42 117(2) . .
C44 C43 H43 121.4 . .
C42 C43 H43 121.4 . .
C43 C44 C39 129(2) . .
C43 C44 H44 115.7 . .
C39 C44 H44 115.7 . .
C46 C45 N3 113.6(16) . .
C46 C45 H45A 108.9 . .
N3 C45 H45A 108.9 . .
C46 C45 H45B 108.9 . .
N3 C45 H45B 108.9 . .
H45A C45 H45B 107.7 . .
C51 C46 C45 121.5(17) . .
C51 C46 C47 115.3(18) . .
C45 C46 C47 123.1(18) . .
O15 C47 C48 120.4(17) . .
O15 C47 C46 118.4(17) . .
C48 C47 C46 120.7(18) . .
C49 C48 C47 116.8(18) . .
C49 C48 H48 121.6 . .
C47 C48 H48 121.6 . .
C50 C49 C48 124.3(19) . .
C50 C49 H49 117.9 . .
C48 C49 H49 117.9 . .
C49 C50 C51 118.1(19) . .
C49 C50 H50 121.0 . .
C51 C50 H50 121.0 . .
C46 C51 C50 124.4(18) . .
C46 C51 H51 117.8 . .
C50 C51 H51 117.8 . .
N4 C52 C53 107.6(15) . .
N4 C52 H52A 110.2 . .
C53 C52 H52A 110.2 . .
N4 C52 H52B 110.2 . .
C53 C52 H52B 110.2 . .
H52A C52 H52B 108.5 . .
O10 C53 C54 110.0(16) . .
O10 C53 C52 106.6(15) . .
C54 C53 C52 106.5(15) . .
O10 C53 H53 111.2 . .
C54 C53 H53 111.2 . .
C52 C53 H53 111.2 . .
C53 C54 O9 112.7(15) . .
C53 C54 H54A 109.1 . .
O9 C54 H54A 109.1 . .
C53 C54 H54B 109.1 . .
O9 C54 H54B 109.1 . .
H54A C54 H54B 107.8 . .
O9 C55 C56 107.2(17) . .
O9 C55 N4 108.3(14) . .
C56 C55 N4 115.4(17) . .
O9 C55 H55 108.6 . .
C56 C55 H55 108.6 . .
N4 C55 H55 108.6 . .
C61 C56 C57 120.0(19) . .
C61 C56 C55 119.9(19) . .
C57 C56 C55 120.0(17) . .
O12 C57 C58 120.9(19) . .
O12 C57 C56 123.5(18) . .
C58 C57 C56 115.5(18) . .
C59 C58 C57 122(2) . .
C59 C58 H58 118.9 . .
C57 C58 H58 118.9 . .
C60 C59 C58 118(2) . .
C60 C59 H59 121.0 . .
C58 C59 H59 121.0 . .
C61 C60 C59 123(2) . .
C61 C60 H60 118.5 . .
C59 C60 H60 118.5 . .
C60 C61 C56 121(2) . .
C60 C61 H61 119.7 . .
C56 C61 H61 119.7 . .
C63 C62 N4 111.2(15) . .
C63 C62 H62A 109.4 . .
N4 C62 H62A 109.4 . .
C63 C62 H62B 109.4 . .
N4 C62 H62B 109.4 . .
H62A C62 H62B 108.0 . .
C68 C63 C64 116(2) . .
C68 C63 C62 118.9(19) . .
C64 C63 C62 124.3(19) . .
C63 C64 O11 121.6(18) . .
C63 C64 C65 122(2) . .
O11 C64 C65 116.9(19) . .
C66 C65 C64 120(2) . .
C66 C65 H65 120.1 . .
C64 C65 H65 120.1 . .
C65 C66 C67 122(2) . .
C65 C66 H66 118.8 . .
C67 C66 H66 118.8 . .
C66 C67 C68 117(2) . .
C66 C67 H67 121.4 . .
C68 C67 H67 121.4 . .
C63 C68 C67 123(2) . .
C63 C68 H68 118.7 . .
C67 C68 H68 118.7 . .
O17 C69 N5 115(6) . .
O17 C69 H69 122.6 . .
N5 C69 H69 122.6 . .
N5 C70 H70A 109.5 . .
N5 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
N5 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
N5 C71 H71A 109.5 . .
N5 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
N5 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
O18 C72 N6 115(4) . .
O18 C72 H72 122.7 . .
N6 C72 H72 122.7 . .
N6 C73 H73A 109.5 . .
N6 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
N6 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
N6 C74 H74A 109.5 . .
N6 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
N6 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
O19 C75 N7 116(8) . .
O19 C75 Na2 56(4) . .
N7 C75 Na2 157(6) . .
O19 C75 H75 121.8 . .
N7 C75 H75 121.8 . .
Na2 C75 H75 69.6 . .
N7 C76 H76A 109.5 . .
N7 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
N7 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
N7 C77 H77A 109.5 . .
N7 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
N7 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
S1' C78 S1 38.3(11) . .
S1' C78 H78A 123.9 . .
S1 C78 H78A 109.5 . .
S1' C78 H78B 123.3 . .
S1 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
S1' C78 H78C 71.2 . .
S1 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
S1' C78 H78D 111.5 . .
S1 C78 H78D 121.3 . .
H78A C78 H78D 33.6 . .
H78B C78 H78D 123.8 . .
H78C C78 H78D 75.9 . .
S1' C78 H78E 110.6 . .
S1 C78 H78E 72.7 . .
H78A C78 H78E 75.9 . .
H78B C78 H78E 63.2 . .
H78C C78 H78E 172.4 . .
H78D C78 H78E 109.5 . .
S1' C78 H78F 106.2 . .
S1 C78 H78F 125.3 . .
H78A C78 H78F 124.4 . .
H78B C78 H78F 46.3 . .
H78C C78 H78F 63.2 . .
H78D C78 H78F 109.5 . .
H78E C78 H78F 109.5 . .
S1' C79 S1 37.6(11) . .
S1' C79 H79A 122.5 . .
S1 C79 H79A 109.5 . .
S1' C79 H79B 71.9 . .
S1 C79 H79B 109.5 . .
H79A C79 H79B 109.5 . .
S1' C79 H79C 124.4 . .
S1 C79 H79C 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
S1' C79 H79D 109.9 . .
S1 C79 H79D 144.8 . .
H79A C79 H79D 100.6 . .
H79B C79 H79D 41.0 . .
H79C C79 H79D 75.7 . .
S1' C79 H79E 111.2 . .
S1 C79 H79E 81.9 . .
H79A C79 H79E 102.2 . .
H79B C79 H79E 139.5 . .
H79C C79 H79E 33.8 . .
H79D C79 H79E 109.5 . .
S1' C79 H79F 107.3 . .
S1 C79 H79F 96.7 . .
H79A C79 H79F 15.3 . .
H79B C79 H79F 107.5 . .
H79C C79 H79F 123.1 . .
H79D C79 H79F 109.5 . .
H79E C79 H79F 109.5 . .
S2' C80 S2 49.1(12) . .
S2' C80 H80A 127.2 . .
S2 C80 H80A 109.5 . .
S2' C80 H80B 123.0 . .
S2 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
S2' C80 H80C 60.4 . .
S2 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
S2' C80 H80D 116.7 . .
S2 C80 H80D 80.7 . .
H80A C80 H80D 101.6 . .
H80B C80 H80D 35.4 . .
H80C C80 H80D 140.9 . .
S2' C80 H80E 102.2 . .
S2 C80 H80E 149.1 . .
H80A C80 H80E 97.3 . .
H80B C80 H80E 74.2 . .
H80C C80 H80E 44.6 . .
H80D C80 H80E 109.5 . .
S2' C80 H80F 109.1 . .
S2 C80 H80F 93.3 . .
H80A C80 H80F 19.0 . .
H80B C80 H80F 126.0 . .
H80C C80 H80F 107.5 . .
H80D C80 H80F 109.5 . .
H80E C80 H80F 109.5 . .
S2 C81 S2' 48.8(12) . .
S2 C81 H81A 109.5 . .
S2' C81 H81A 133.4 . .
S2 C81 H81B 109.5 . .
S2' C81 H81B 61.6 . .
H81A C81 H81B 109.5 . .
S2 C81 H81C 109.5 . .
S2' C81 H81C 116.6 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
S2 C81 H81D 77.7 . .
S2' C81 H81D 104.2 . .
H81A C81 H81D 33.1 . .
H81B C81 H81D 113.0 . .
H81C C81 H81D 131.2 . .
S2 C81 H81E 165.1 . .
S2' C81 H81E 116.3 . .
H81A C81 H81E 80.5 . .
H81B C81 H81E 55.9 . .
H81C C81 H81E 76.0 . .
H81D C81 H81E 109.5 . .
S2 C81 H81F 79.0 . .
S2' C81 H81F 107.7 . .
H81A C81 H81F 106.0 . .
H81B C81 H81F 137.5 . .
H81C C81 H81F 34.6 . .
H81D C81 H81F 109.5 . .
H81E C81 H81F 109.5 . .
S3 C82 S3 61.8(19) 2_556 .
S3 C82 H82A 135.4 2_556 .
S3 C82 H82A 110.4 . .
S3 C82 H82B 114.3 2_556 .
S3 C82 H82B 109.7 . .
H82A C82 H82B 109.5 . .
S3 C82 H82C 47.8 2_556 .
S3 C82 H82C 108.3 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
S4 C83 H83A 109.5 . .
S4 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
S4 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
S4 C84 H84A 109.5 . .
S4 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
S4 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O10 1.952(11) .
Zn1 O14 1.958(11) .
Zn1 O2 1.969(12) .
Zn1 O6 1.976(12) .
Zn2 O4 1.989(13) .
Zn2 O2 2.029(11) .
Zn2 O3 2.064(12) .
Zn2 O7 2.065(13) .
Zn2 N1 2.144(15) .
Zn2 Zn3 3.030(3) .
Zn2 Na2 3.095(10) .
Zn3 O8 1.951(14) .
Zn3 O6 2.016(11) .
Zn3 O7 2.020(13) .
Zn3 O3 2.040(13) .
Zn3 N2 2.138(16) .
Zn3 Na2 3.103(10) .
Zn4 O16 1.956(13) .
Zn4 O11 2.043(12) .
Zn4 O14 2.047(11) .
Zn4 O15 2.063(12) .
Zn4 N3 2.129(15) .
Zn4 Zn5 3.021(3) .
Zn4 Na1 3.198(9) .
Zn5 O12 1.968(13) .
Zn5 O10 2.028(11) .
Zn5 O15 2.056(12) .
Zn5 O11 2.092(12) .
Zn5 N4 2.173(15) .
Zn5 Na1 3.215(8) .
Na1 O18 2.22(2) .
Na1 O20 2.40(2) .
Na1 O16 2.431(16) .
Na1 O12 2.480(16) .
Na1 O11 2.496(15) .
Na1 S1' 3.37(3) .
Na2 O22 2.06(5) .
Na2 O21 2.30(2) .
Na2 O8 2.416(18) .
Na2 O4 2.450(17) .
Na2 O19 2.51(5) .
Na2 O3 2.628(16) .
Na2 O7 2.760(16) .
Na2 C75 2.98(9) .
Na2 S3 3.20(2) .
Na2 S2 3.25(3) .
N1 C1 1.43(2) .
N1 C11 1.46(2) .
N1 C4 1.51(2) .
N2 C28 1.48(2) .
N2 C18 1.49(2) .
N2 C21 1.50(2) .
N3 C45 1.49(2) .
N3 C38 1.49(2) .
N3 C35 1.51(2) .
N4 C52 1.46(2) .
N4 C62 1.49(2) .
N4 C55 1.50(2) .
N5 C69 1.32(6) .
N5 C70 1.47(5) .
N5 C71 1.48(5) .
N6 C72 1.32(4) .
N6 C74 1.46(4) .
N6 C73 1.47(4) .
N7 C75 1.31(11) .
N7 C77 1.47(12) .
N7 C76 1.48(12) .
O1 C3 1.386(19) .
O1 C4 1.46(2) .
O2 C2 1.42(2) .
O3 C13 1.35(2) .
O4 C6 1.33(2) .
O5 C21 1.38(2) .
O5 C20 1.47(2) .
O6 C19 1.46(2) .
O7 C30 1.33(2) .
O8 C23 1.33(2) .
O9 C55 1.36(2) .
O9 C54 1.52(2) .
O10 C53 1.45(2) .
O11 C64 1.39(2) .
O12 C57 1.31(2) .
O13 C37 1.39(2) .
O13 C38 1.40(2) .
O14 C36 1.41(2) .
O15 C47 1.31(2) .
O16 C40 1.35(2) .
O17 C69 1.24(5) .
O18 C72 1.24(3) .
O19 C75 1.23(8) .
O20 S1' 1.47(3) .
O20 S1 1.47(3) .
O21 S2' 1.46(3) .
O21 S2 1.48(3) .
O22 S3 1.46(6) .
O23 S4 1.45(6) .
S1 C78 1.78(4) .
S1 C79 1.83(3) .
S1 H78E 1.7557 .
S2 C81 1.77(3) .
S2 C80 1.77(3) .
S2 H81D 1.8283 .
S2 H81F 1.8485 .
S3 C82 1.69(4) 2_556
S3 C82 1.79(4) .
S3 S3 1.79(4) 2_556
S1' C78 1.74(4) .
S1' C79 1.76(4) .
S2' C80 1.77(4) .
S2' C81 1.79(4) .
S4 C84 1.81(9) .
S4 C83 1.82(10) .
C1 C2 1.58(2) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.50(2) .
C2 H2 0.9800 .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.45(2) .
C4 H4 0.9800 .
C5 C6 1.35(3) .
C5 C10 1.39(3) .
C6 C7 1.40(3) .
C7 C8 1.38(3) .
C7 H7 0.9300 .
C8 C9 1.29(3) .
C8 H8 0.9300 .
C9 C10 1.43(2) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.52(3) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.42(3) .
C12 C17 1.43(2) .
C13 C14 1.42(3) .
C14 C15 1.35(3) .
C14 H14 0.9300 .
C15 C16 1.38(3) .
C15 H15 0.9300 .
C16 C17 1.41(3) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.51(2) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.48(2) .
C19 H19 0.9800 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.55(3) .
C21 H21 0.9800 .
C22 C23 1.36(3) .
C22 C27 1.41(3) .
C23 C24 1.39(3) .
C24 C25 1.34(3) .
C24 H24 0.9300 .
C25 C26 1.42(3) .
C25 H25 0.9300 .
C26 C27 1.33(3) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.48(3) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C34 1.44(3) .
C29 C30 1.46(3) .
C30 C31 1.38(2) .
C31 C32 1.35(2) .
C31 H31 0.9300 .
C32 C33 1.37(3) .
C32 H32 0.9300 .
C33 C34 1.35(3) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.55(3) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 C37 1.54(2) .
C36 H36 0.9800 .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 C39 1.44(3) .
C38 H38 0.9800 .
C39 C44 1.41(3) .
C39 C40 1.45(3) .
C40 C41 1.34(3) .
C41 C42 1.42(3) .
C41 H41 0.9300 .
C42 C43 1.42(3) .
C42 H42 0.9300 .
C43 C44 1.29(3) .
C43 H43 0.9300 .
C44 H44 0.9300 .
C45 C46 1.43(2) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 C51 1.36(2) .
C46 C47 1.51(2) .
C47 C48 1.41(2) .
C48 C49 1.40(2) .
C48 H48 0.9300 .
C49 C50 1.36(2) .
C49 H49 0.9300 .
C50 C51 1.42(2) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C52 C53 1.56(2) .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C53 C54 1.46(2) .
C53 H53 0.9800 .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C55 C56 1.50(3) .
C55 H55 0.9800 .
C56 C61 1.39(3) .
C56 C57 1.43(3) .
C57 C58 1.42(3) .
C58 C59 1.39(3) .
C58 H58 0.9300 .
C59 C60 1.35(3) .
C59 H59 0.9300 .
C60 C61 1.34(3) .
C60 H60 0.9300 .
C61 H61 0.9300 .
C62 C63 1.48(3) .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C63 C68 1.38(3) .
C63 C64 1.39(3) .
C64 C65 1.43(3) .
C65 C66 1.33(3) .
C65 H65 0.9300 .
C66 C67 1.37(3) .
C66 H66 0.9300 .
C67 C68 1.45(3) .
C67 H67 0.9300 .
C68 H68 0.9300 .
C69 H69 0.9300 .
C70 H70A 0.9600 .
C70 H70B 0.9600 .
C70 H70C 0.9600 .
C71 H71A 0.9600 .
C71 H71B 0.9600 .
C71 H71C 0.9600 .
C72 H72 0.9300 .
C73 H73A 0.9600 .
C73 H73B 0.9600 .
C73 H73C 0.9600 .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C75 H75 0.9300 .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
C77 H77A 0.9600 .
C77 H77B 0.9600 .
C77 H77C 0.9600 .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
C78 H78D 0.9600 .
C78 H78E 0.9599 .
C78 H78F 0.9600 .
C79 H79A 0.9600 .
C79 H79B 0.9600 .
C79 H79C 0.9600 .
C79 H79D 0.9600 .
C79 H79E 0.9601 .
C79 H79F 0.9600 .
C80 H80A 0.9600 .
C80 H80B 0.9600 .
C80 H80C 0.9600 .
C80 H80D 0.9600 .
C80 H80E 0.9600 .
C80 H80F 0.9601 .
C81 H81A 0.9600 .
C81 H81B 0.9600 .
C81 H81C 0.9600 .
C81 H81D 0.9600 .
C81 H81E 0.9600 .
C81 H81F 0.9600 .
C82 S3 1.69(4) 2_556
C82 H82A 0.9600 .
C82 H82B 0.9600 .
C82 H82C 0.9600 .
C83 H83A 0.9600 .
C83 H83B 0.9600 .
C83 H83C 0.9600 .
C84 H84A 0.9600 .
C84 H84B 0.9600 .
C84 H84C 0.9600 .
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
O4 Zn2 Zn3 O8 16.6(6) . .
O2 Zn2 Zn3 O8 -179.3(6) . .
O3 Zn2 Zn3 O8 -65.4(7) . .
O7 Zn2 Zn3 O8 84.3(7) . .
N1 Zn2 Zn3 O8 -96.2(7) . .
Na2 Zn2 Zn3 O8 6.5(5) . .
O4 Zn2 Zn3 O6 179.3(5) . .
O2 Zn2 Zn3 O6 -16.6(5) . .
O3 Zn2 Zn3 O6 97.3(6) . .
O7 Zn2 Zn3 O6 -113.0(6) . .
N1 Zn2 Zn3 O6 66.5(6) . .
Na2 Zn2 Zn3 O6 169.2(4) . .
O4 Zn2 Zn3 O7 -67.7(6) . .
O2 Zn2 Zn3 O7 96.4(6) . .
O3 Zn2 Zn3 O7 -149.7(7) . .
N1 Zn2 Zn3 O7 179.5(7) . .
Na2 Zn2 Zn3 O7 -77.8(5) . .
O4 Zn2 Zn3 O3 82.0(6) . .
O2 Zn2 Zn3 O3 -113.9(6) . .
O7 Zn2 Zn3 O3 149.7(7) . .
N1 Zn2 Zn3 O3 -30.8(7) . .
Na2 Zn2 Zn3 O3 71.9(6) . .
O4 Zn2 Zn3 N2 -97.2(7) . .
O2 Zn2 Zn3 N2 66.9(6) . .
O3 Zn2 Zn3 N2 -179.2(8) . .
O7 Zn2 Zn3 N2 -29.5(7) . .
N1 Zn2 Zn3 N2 150.0(8) . .
Na2 Zn2 Zn3 N2 -107.3(6) . .
O4 Zn2 Zn3 Na2 10.1(5) . .
O2 Zn2 Zn3 Na2 174.2(4) . .
O3 Zn2 Zn3 Na2 -71.9(6) . .
O7 Zn2 Zn3 Na2 77.8(5) . .
N1 Zn2 Zn3 Na2 -102.7(6) . .
O16 Zn4 Zn5 O12 -15.1(6) . .
O11 Zn4 Zn5 O12 -76.7(7) . .
O14 Zn4 Zn5 O12 -176.2(5) . .
O15 Zn4 Zn5 O12 71.4(6) . .
N3 Zn4 Zn5 O12 98.7(7) . .
Na1 Zn4 Zn5 O12 -14.9(5) . .
O16 Zn4 Zn5 O10 176.8(6) . .
O11 Zn4 Zn5 O10 115.2(6) . .
O14 Zn4 Zn5 O10 15.7(5) . .
O15 Zn4 Zn5 O10 -96.7(6) . .
N3 Zn4 Zn5 O10 -69.4(6) . .
Na1 Zn4 Zn5 O10 177.0(4) . .
O16 Zn4 Zn5 O15 -86.5(7) . .
O11 Zn4 Zn5 O15 -148.1(7) . .
O14 Zn4 Zn5 O15 112.4(6) . .
N3 Zn4 Zn5 O15 27.4(7) . .
Na1 Zn4 Zn5 O15 -86.2(5) . .
O16 Zn4 Zn5 O11 61.6(7) . .
O14 Zn4 Zn5 O11 -99.4(6) . .
O15 Zn4 Zn5 O11 148.1(7) . .
N3 Zn4 Zn5 O11 175.5(8) . .
Na1 Zn4 Zn5 O11 61.9(6) . .
O16 Zn4 Zn5 N4 95.4(7) . .
O11 Zn4 Zn5 N4 33.7(7) . .
O14 Zn4 Zn5 N4 -65.7(6) . .
O15 Zn4 Zn5 N4 -178.1(7) . .
N3 Zn4 Zn5 N4 -150.8(8) . .
Na1 Zn4 Zn5 N4 95.6(6) . .
O16 Zn4 Zn5 Na1 -0.3(5) . .
O11 Zn4 Zn5 Na1 -61.9(6) . .
O14 Zn4 Zn5 Na1 -161.3(4) . .
O15 Zn4 Zn5 Na1 86.2(5) . .
N3 Zn4 Zn5 Na1 113.6(6) . .
O16 Zn4 Na1 O18 -57.9(10) . .
O11 Zn4 Na1 O18 173.8(10) . .
O14 Zn4 Na1 O18 162.1(10) . .
O15 Zn4 Na1 O18 75.3(9) . .
N3 Zn4 Na1 O18 2.6(11) . .
Zn5 Zn4 Na1 O18 122.4(9) . .
O16 Zn4 Na1 O20 72.1(8) . .
O11 Zn4 Na1 O20 -56.3(7) . .
O14 Zn4 Na1 O20 -68.0(10) . .
O15 Zn4 Na1 O20 -154.7(7) . .
N3 Zn4 Na1 O20 132.6(8) . .
Zn5 Zn4 Na1 O20 -107.6(6) . .
O11 Zn4 Na1 O16 -128.4(7) . .
O14 Zn4 Na1 O16 -140.1(9) . .
O15 Zn4 Na1 O16 133.2(7) . .
N3 Zn4 Na1 O16 60.5(8) . .
Zn5 Zn4 Na1 O16 -179.7(6) . .
O16 Zn4 Na1 O12 -169.3(7) . .
O11 Zn4 Na1 O12 62.4(6) . .
O14 Zn4 Na1 O12 50.7(9) . .
O15 Zn4 Na1 O12 -36.1(5) . .
N3 Zn4 Na1 O12 -108.8(6) . .
Zn5 Zn4 Na1 O12 11.0(3) . .
O16 Zn4 Na1 O11 128.4(7) . .
O14 Zn4 Na1 O11 -11.7(9) . .
O15 Zn4 Na1 O11 -98.5(6) . .
N3 Zn4 Na1 O11 -171.2(7) . .
Zn5 Zn4 Na1 O11 -51.3(5) . .
O16 Zn4 Na1 Zn5 179.7(6) . .
O11 Zn4 Na1 Zn5 51.3(5) . .
O14 Zn4 Na1 Zn5 39.6(8) . .
O15 Zn4 Na1 Zn5 -47.1(4) . .
N3 Zn4 Na1 Zn5 -119.8(5) . .
O16 Zn4 Na1 S1' 66.8(7) . .
O11 Zn4 Na1 S1' -61.5(7) . .
O14 Zn4 Na1 S1' -73.2(9) . .
O15 Zn4 Na1 S1' -160.0(6) . .
N3 Zn4 Na1 S1' 127.3(7) . .
Zn5 Zn4 Na1 S1' -112.9(5) . .
O12 Zn5 Na1 O18 43.6(10) . .
O10 Zn5 Na1 O18 -124.6(11) . .
O15 Zn5 Na1 O18 -70.7(9) . .
O11 Zn5 Na1 O18 -168.3(10) . .
N4 Zn5 Na1 O18 119.4(10) . .
Zn4 Zn5 Na1 O18 -118.2(9) . .
O12 Zn5 Na1 O20 -91.3(8) . .
O10 Zn5 Na1 O20 100.5(10) . .
O15 Zn5 Na1 O20 154.4(7) . .
O11 Zn5 Na1 O20 56.9(7) . .
N4 Zn5 Na1 O20 -15.4(8) . .
Zn4 Zn5 Na1 O20 106.9(6) . .
O12 Zn5 Na1 O16 162.0(7) . .
O10 Zn5 Na1 O16 -6.2(10) . .
O15 Zn5 Na1 O16 47.7(5) . .
O11 Zn5 Na1 O16 -49.9(6) . .
N4 Zn5 Na1 O16 -122.2(6) . .
Zn4 Zn5 Na1 O16 0.2(4) . .
O10 Zn5 Na1 O12 -168.2(9) . .
O15 Zn5 Na1 O12 -114.3(6) . .
O11 Zn5 Na1 O12 148.2(7) . .
N4 Zn5 Na1 O12 75.9(7) . .
Zn4 Zn5 Na1 O12 -161.8(6) . .
O12 Zn5 Na1 O11 -148.2(7) . .
O10 Zn5 Na1 O11 43.6(10) . .
O15 Zn5 Na1 O11 97.6(6) . .
N4 Zn5 Na1 O11 -72.3(6) . .
Zn4 Zn5 Na1 O11 50.1(4) . .
O12 Zn5 Na1 Zn4 161.8(6) . .
O10 Zn5 Na1 Zn4 -6.4(9) . .
O15 Zn5 Na1 Zn4 47.5(4) . .
O11 Zn5 Na1 Zn4 -50.1(4) . .
N4 Zn5 Na1 Zn4 -122.4(4) . .
O12 Zn5 Na1 S1' -115.2(10) . .
O10 Zn5 Na1 S1' 76.6(12) . .
O15 Zn5 Na1 S1' 130.5(9) . .
O11 Zn5 Na1 S1' 33.0(9) . .
N4 Zn5 Na1 S1' -39.3(9) . .
Zn4 Zn5 Na1 S1' 83.1(8) . .
O4 Zn2 Na2 O22 54(3) . .
O2 Zn2 Na2 O22 -150(3) . .
O3 Zn2 Na2 O22 -88(3) . .
O7 Zn2 Na2 O22 175(3) . .
N1 Zn2 Na2 O22 -19(3) . .
Zn3 Zn2 Na2 O22 -137(3) . .
O4 Zn2 Na2 O21 -60.2(11) . .
O2 Zn2 Na2 O21 95.1(12) . .
O3 Zn2 Na2 O21 157.4(11) . .
O7 Zn2 Na2 O21 60.1(10) . .
N1 Zn2 Na2 O21 -133.2(10) . .
Zn3 Zn2 Na2 O21 108.0(10) . .
O4 Zn2 Na2 O8 -173.1(8) . .
O2 Zn2 Na2 O8 -17.8(11) . .
O3 Zn2 Na2 O8 44.4(6) . .
O7 Zn2 Na2 O8 -52.9(6) . .
N1 Zn2 Na2 O8 113.8(6) . .
Zn3 Zn2 Na2 O8 -4.9(4) . .
O2 Zn2 Na2 O4 155.3(9) . .
O3 Zn2 Na2 O4 -142.4(7) . .
O7 Zn2 Na2 O4 120.3(7) . .
N1 Zn2 Na2 O4 -73.1(7) . .
Zn3 Zn2 Na2 O4 168.2(6) . .
O4 Zn2 Na2 O19 82.1(15) . .
O2 Zn2 Na2 O19 -122.6(16) . .
O3 Zn2 Na2 O19 -60.3(15) . .
O7 Zn2 Na2 O19 -157.6(15) . .
N1 Zn2 Na2 O19 9.0(15) . .
Zn3 Zn2 Na2 O19 -109.7(15) . .
O4 Zn2 Na2 O3 142.4(7) . .
O2 Zn2 Na2 O3 -62.3(10) . .
O7 Zn2 Na2 O3 -97.3(6) . .
N1 Zn2 Na2 O3 69.4(6) . .
Zn3 Zn2 Na2 O3 -49.4(4) . .
O4 Zn2 Na2 O7 -120.3(7) . .
O2 Zn2 Na2 O7 35.0(9) . .
O3 Zn2 Na2 O7 97.3(6) . .
N1 Zn2 Na2 O7 166.7(6) . .
Zn3 Zn2 Na2 O7 47.9(4) . .
O4 Zn2 Na2 C75 107.4(18) . .
O2 Zn2 Na2 C75 -97.3(19) . .
O3 Zn2 Na2 C75 -35.0(17) . .
O7 Zn2 Na2 C75 -132.4(17) . .
N1 Zn2 Na2 C75 34.3(18) . .
Zn3 Zn2 Na2 C75 -84.4(17) . .
O4 Zn2 Na2 Zn3 -168.2(6) . .
O2 Zn2 Na2 Zn3 -12.9(9) . .
O3 Zn2 Na2 Zn3 49.4(4) . .
O7 Zn2 Na2 Zn3 -47.9(4) . .
N1 Zn2 Na2 Zn3 118.7(5) . .
O4 Zn2 Na2 S3 22.7(9) . .
O2 Zn2 Na2 S3 178.0(9) . .
O3 Zn2 Na2 S3 -119.7(10) . .
O7 Zn2 Na2 S3 143.0(10) . .
N1 Zn2 Na2 S3 -50.4(10) . .
Zn3 Zn2 Na2 S3 -169.1(9) . .
O4 Zn2 Na2 S2 -75.1(7) . .
O2 Zn2 Na2 S2 80.2(10) . .
O3 Zn2 Na2 S2 142.5(7) . .
O7 Zn2 Na2 S2 45.2(6) . .
N1 Zn2 Na2 S2 -148.2(7) . .
Zn3 Zn2 Na2 S2 93.1(5) . .
O8 Zn3 Na2 O22 -37(3) . .
O6 Zn3 Na2 O22 112(3) . .
O7 Zn3 Na2 O22 -176(3) . .
O3 Zn3 Na2 O22 85(3) . .
N2 Zn3 Na2 O22 -104(3) . .
Zn2 Zn3 Na2 O22 135(3) . .
O8 Zn3 Na2 O21 66.0(9) . .
O6 Zn3 Na2 O21 -144.9(10) . .
O7 Zn3 Na2 O21 -72.5(9) . .
O3 Zn3 Na2 O21 -172.0(9) . .
N2 Zn3 Na2 O21 -0.8(10) . .
Zn2 Zn3 Na2 O21 -121.8(8) . .
O6 Zn3 Na2 O8 149.1(10) . .
O7 Zn3 Na2 O8 -138.5(7) . .
O3 Zn3 Na2 O8 121.9(7) . .
N2 Zn3 Na2 O8 -66.8(8) . .
Zn2 Zn3 Na2 O8 172.2(6) . .
O8 Zn3 Na2 O4 -179.8(8) . .
O6 Zn3 Na2 O4 -30.8(11) . .
O7 Zn3 Na2 O4 41.7(6) . .
O3 Zn3 Na2 O4 -57.9(6) . .
N2 Zn3 Na2 O4 113.4(7) . .
Zn2 Zn3 Na2 O4 -7.6(4) . .
O8 Zn3 Na2 O19 -71.6(14) . .
O6 Zn3 Na2 O19 77.5(16) . .
O7 Zn3 Na2 O19 149.9(14) . .
O3 Zn3 Na2 O19 50.4(14) . .
N2 Zn3 Na2 O19 -138.4(14) . .
Zn2 Zn3 Na2 O19 100.6(13) . .
O8 Zn3 Na2 O3 -121.9(7) . .
O6 Zn3 Na2 O3 27.1(10) . .
O7 Zn3 Na2 O3 99.5(6) . .
N2 Zn3 Na2 O3 171.2(7) . .
Zn2 Zn3 Na2 O3 50.2(4) . .
O8 Zn3 Na2 O7 138.5(7) . .
O6 Zn3 Na2 O7 -72.4(9) . .
O3 Zn3 Na2 O7 -99.5(6) . .
N2 Zn3 Na2 O7 71.7(7) . .
Zn2 Zn3 Na2 O7 -49.3(4) . .
O8 Zn3 Na2 C75 -64.1(15) . .
O6 Zn3 Na2 C75 85.0(17) . .
O7 Zn3 Na2 C75 157.4(15) . .
O3 Zn3 Na2 C75 57.9(15) . .
N2 Zn3 Na2 C75 -130.9(15) . .
Zn2 Zn3 Na2 C75 108.1(15) . .
O8 Zn3 Na2 Zn2 -172.2(6) . .
O6 Zn3 Na2 Zn2 -23.1(9) . .
O7 Zn3 Na2 Zn2 49.3(4) . .
O3 Zn3 Na2 Zn2 -50.2(4) . .
N2 Zn3 Na2 Zn2 121.0(5) . .
O8 Zn3 Na2 S3 -14.0(17) . .
O6 Zn3 Na2 S3 135.0(17) . .
O7 Zn3 Na2 S3 -152.5(19) . .
O3 Zn3 Na2 S3 107.9(18) . .
N2 Zn3 Na2 S3 -80.8(19) . .
Zn2 Zn3 Na2 S3 158.2(18) . .
O8 Zn3 Na2 S2 81.2(7) . .
O6 Zn3 Na2 S2 -129.7(9) . .
O7 Zn3 Na2 S2 -57.3(6) . .
O3 Zn3 Na2 S2 -156.8(7) . .
N2 Zn3 Na2 S2 14.4(7) . .
Zn2 Zn3 Na2 S2 -106.6(5) . .
O4 Zn2 N1 C1 161.9(11) . .
O2 Zn2 N1 C1 11.2(11) . .
O3 Zn2 N1 C1 -96.9(11) . .
O7 Zn2 N1 C1 -75(3) . .
Zn3 Zn2 N1 C1 -76.8(12) . .
Na2 Zn2 N1 C1 -148.8(10) . .
O4 Zn2 N1 C11 -70.7(12) . .
O2 Zn2 N1 C11 138.5(12) . .
O3 Zn2 N1 C11 30.5(12) . .
O7 Zn2 N1 C11 52(3) . .
Zn3 Zn2 N1 C11 50.5(13) . .
Na2 Zn2 N1 C11 -21.4(13) . .
O4 Zn2 N1 C4 47.5(11) . .
O2 Zn2 N1 C4 -103.2(10) . .
O3 Zn2 N1 C4 148.7(10) . .
O7 Zn2 N1 C4 170(2) . .
Zn3 Zn2 N1 C4 168.8(8) . .
Na2 Zn2 N1 C4 96.8(10) . .
O8 Zn3 N2 C28 -72.1(13) . .
O6 Zn3 N2 C28 137.4(13) . .
O7 Zn3 N2 C28 29.8(13) . .
O3 Zn3 N2 C28 45(5) . .
Zn2 Zn3 N2 C28 49.3(14) . .
Na2 Zn3 N2 C28 -26.3(15) . .
O8 Zn3 N2 C18 163.2(12) . .
O6 Zn3 N2 C18 12.7(11) . .
O7 Zn3 N2 C18 -94.9(12) . .
O3 Zn3 N2 C18 -79(4) . .
Zn2 Zn3 N2 C18 -75.4(12) . .
Na2 Zn3 N2 C18 -151.0(10) . .
O8 Zn3 N2 C21 50.8(12) . .
O6 Zn3 N2 C21 -99.7(11) . .
O7 Zn3 N2 C21 152.7(11) . .
O3 Zn3 N2 C21 168(4) . .
Zn2 Zn3 N2 C21 172.2(9) . .
Na2 Zn3 N2 C21 96.6(11) . .
O16 Zn4 N3 C45 77.3(13) . .
O11 Zn4 N3 C45 -22(5) . .
O14 Zn4 N3 C45 -134.0(13) . .
O15 Zn4 N3 C45 -26.1(13) . .
Zn5 Zn4 N3 C45 -44.3(14) . .
Na1 Zn4 N3 C45 35.8(14) . .
O16 Zn4 N3 C38 -49.5(12) . .
O11 Zn4 N3 C38 -148(4) . .
O14 Zn4 N3 C38 99.3(11) . .
O15 Zn4 N3 C38 -152.8(11) . .
Zn5 Zn4 N3 C38 -171.0(9) . .
Na1 Zn4 N3 C38 -90.9(12) . .
O16 Zn4 N3 C35 -162.6(11) . .
O11 Zn4 N3 C35 98(4) . .
O14 Zn4 N3 C35 -13.9(11) . .
O15 Zn4 N3 C35 94.1(11) . .
Zn5 Zn4 N3 C35 75.9(12) . .
Na1 Zn4 N3 C35 156.0(10) . .
O12 Zn5 N4 C52 -165.3(11) . .
O10 Zn5 N4 C52 -9.1(11) . .
O15 Zn5 N4 C52 69(4) . .
O11 Zn5 N4 C52 98.6(11) . .
Zn4 Zn5 N4 C52 76.6(12) . .
Na1 Zn5 N4 C52 146.3(10) . .
O12 Zn5 N4 C62 66.9(12) . .
O10 Zn5 N4 C62 -136.9(12) . .
O15 Zn5 N4 C62 -59(4) . .
O11 Zn5 N4 C62 -29.3(12) . .
Zn4 Zn5 N4 C62 -51.3(13) . .
Na1 Zn5 N4 C62 18.4(12) . .
O12 Zn5 N4 C55 -53.8(11) . .
O10 Zn5 N4 C55 102.4(11) . .
O15 Zn5 N4 C55 -180(100) . .
O11 Zn5 N4 C55 -150.0(11) . .
Zn4 Zn5 N4 C55 -172.0(9) . .
Na1 Zn5 N4 C55 -102.3(10) . .
O10 Zn1 O2 C2 102.2(11) . .
O14 Zn1 O2 C2 -19.4(12) . .
O6 Zn1 O2 C2 -138.0(11) . .
O10 Zn1 O2 Zn2 -127.4(6) . .
O14 Zn1 O2 Zn2 111.0(6) . .
O6 Zn1 O2 Zn2 -7.6(8) . .
O4 Zn2 O2 C2 -61.5(15) . .
O3 Zn2 O2 C2 109.7(10) . .
O7 Zn2 O2 C2 -168.7(10) . .
N1 Zn2 O2 C2 23.5(10) . .
Zn3 Zn2 O2 C2 149.8(10) . .
Na2 Zn2 O2 C2 161.0(9) . .
O4 Zn2 O2 Zn1 163.1(9) . .
O3 Zn2 O2 Zn1 -25.7(8) . .
O7 Zn2 O2 Zn1 55.9(7) . .
N1 Zn2 O2 Zn1 -111.9(7) . .
Zn3 Zn2 O2 Zn1 14.4(6) . .
Na2 Zn2 O2 Zn1 25.6(12) . .
O8 Zn3 O3 C13 -95.4(13) . .
O6 Zn3 O3 C13 55.8(13) . .
O7 Zn3 O3 C13 162.7(13) . .
N2 Zn3 O3 C13 147(4) . .
Zn2 Zn3 O3 C13 142.4(14) . .
Na2 Zn3 O3 C13 -136.8(13) . .
O8 Zn3 O3 Zn2 122.1(5) . .
O6 Zn3 O3 Zn2 -86.6(5) . .
O7 Zn3 O3 Zn2 20.2(5) . .
N2 Zn3 O3 Zn2 5(4) . .
Na2 Zn3 O3 Zn2 80.8(5) . .
O8 Zn3 O3 Na2 41.3(5) . .
O6 Zn3 O3 Na2 -167.4(5) . .
O7 Zn3 O3 Na2 -60.5(4) . .
N2 Zn3 O3 Na2 -76(4) . .
Zn2 Zn3 O3 Na2 -80.8(5) . .
O4 Zn2 O3 C13 110.9(14) . .
O2 Zn2 O3 C13 -64.7(14) . .
O7 Zn2 O3 C13 -158.1(14) . .
N1 Zn2 O3 C13 17.4(14) . .
Zn3 Zn2 O3 C13 -138.2(16) . .
Na2 Zn2 O3 C13 140.4(15) . .
O4 Zn2 O3 Zn3 -110.8(5) . .
O2 Zn2 O3 Zn3 73.5(6) . .
O7 Zn2 O3 Zn3 -19.9(5) . .
N1 Zn2 O3 Zn3 155.6(6) . .
Na2 Zn2 O3 Zn3 -81.4(5) . .
O4 Zn2 O3 Na2 -29.5(6) . .
O2 Zn2 O3 Na2 154.9(5) . .
O7 Zn2 O3 Na2 61.5(5) . .
N1 Zn2 O3 Na2 -123.0(5) . .
Zn3 Zn2 O3 Na2 81.4(5) . .
O22 Na2 O3 C13 -7(3) . .
O21 Na2 O3 C13 150(3) . .
O8 Na2 O3 C13 91.6(17) . .
O4 Na2 O3 C13 -113.1(17) . .
O19 Na2 O3 C13 -10(2) . .
O7 Na2 O3 C13 174.0(18) . .
C75 Na2 O3 C13 8(2) . .
Zn2 Na2 O3 C13 -136.9(18) . .
Zn3 Na2 O3 C13 126.7(18) . .
S3 Na2 O3 C13 -23(2) . .
S2 Na2 O3 C13 162.6(16) . .
O22 Na2 O3 Zn3 -133(2) . .
O21 Na2 O3 Zn3 23(3) . .
O8 Na2 O3 Zn3 -35.1(4) . .
O4 Na2 O3 Zn3 120.2(5) . .
O19 Na2 O3 Zn3 -137.0(13) . .
O7 Na2 O3 Zn3 47.3(4) . .
C75 Na2 O3 Zn3 -118.3(16) . .
Zn2 Na2 O3 Zn3 96.4(4) . .
S3 Na2 O3 Zn3 -149.5(9) . .
S2 Na2 O3 Zn3 35.9(10) . .
O22 Na2 O3 Zn2 130(2) . .
O21 Na2 O3 Zn2 -74(3) . .
O8 Na2 O3 Zn2 -131.5(6) . .
O4 Na2 O3 Zn2 23.8(5) . .
O19 Na2 O3 Zn2 126.6(13) . .
O7 Na2 O3 Zn2 -49.1(4) . .
C75 Na2 O3 Zn2 145.3(16) . .
Zn3 Na2 O3 Zn2 -96.4(4) . .
S3 Na2 O3 Zn2 114.1(10) . .
S2 Na2 O3 Zn2 -60.6(9) . .
O2 Zn2 O4 C6 68.8(19) . .
O3 Zn2 O4 C6 -102.6(15) . .
O7 Zn2 O4 C6 176.8(15) . .
N1 Zn2 O4 C6 -13.3(15) . .
Zn3 Zn2 O4 C6 -145.3(13) . .
Na2 Zn2 O4 C6 -134.1(16) . .
O2 Zn2 O4 Na2 -157.1(9) . .
O3 Zn2 O4 Na2 31.5(6) . .
O7 Zn2 O4 Na2 -49.1(5) . .
N1 Zn2 O4 Na2 120.8(6) . .
Zn3 Zn2 O4 Na2 -11.1(5) . .
O22 Na2 O4 C6 -15(2) . .
O21 Na2 O4 C6 -90.7(17) . .
O8 Na2 O4 C6 141.7(15) . .
O19 Na2 O4 C6 21(2) . .
O3 Na2 O4 C6 107.3(15) . .
O7 Na2 O4 C6 169.1(16) . .
C75 Na2 O4 C6 43(2) . .
Zn2 Na2 O4 C6 131.8(17) . .
Zn3 Na2 O4 C6 141.9(14) . .
S3 Na2 O4 C6 -33.3(16) . .
S2 Na2 O4 C6 -113.6(15) . .
O22 Na2 O4 Zn2 -147(2) . .
O21 Na2 O4 Zn2 137.5(8) . .
O8 Na2 O4 Zn2 10.0(11) . .
O19 Na2 O4 Zn2 -110.5(14) . .
O3 Na2 O4 Zn2 -24.5(4) . .
O7 Na2 O4 Zn2 37.4(4) . .
C75 Na2 O4 Zn2 -88.7(17) . .
Zn3 Na2 O4 Zn2 10.2(5) . .
S3 Na2 O4 Zn2 -165.1(6) . .
S2 Na2 O4 Zn2 114.6(6) . .
O10 Zn1 O6 C19 -21.0(13) . .
O14 Zn1 O6 C19 100.1(12) . .
O2 Zn1 O6 C19 -141.1(11) . .
O10 Zn1 O6 Zn3 110.2(7) . .
O14 Zn1 O6 Zn3 -128.8(6) . .
O2 Zn1 O6 Zn3 -10.0(8) . .
O8 Zn3 O6 C19 -64.4(16) . .
O7 Zn3 O6 C19 108.7(11) . .
O3 Zn3 O6 C19 -167.6(11) . .
N2 Zn3 O6 C19 20.2(11) . .
Zn2 Zn3 O6 C19 149.7(10) . .
Na2 Zn3 O6 C19 169.7(10) . .
O8 Zn3 O6 Zn1 161.6(9) . .
O7 Zn3 O6 Zn1 -25.2(8) . .
O3 Zn3 O6 Zn1 58.4(7) . .
N2 Zn3 O6 Zn1 -113.8(8) . .
Zn2 Zn3 O6 Zn1 15.7(6) . .
Na2 Zn3 O6 Zn1 35.8(13) . .
O8 Zn3 O7 C30 108.5(15) . .
O6 Zn3 O7 C30 -68.1(15) . .
O3 Zn3 O7 C30 -163.0(15) . .
N2 Zn3 O7 C30 15.0(15) . .
Zn2 Zn3 O7 C30 -142.7(17) . .
Na2 Zn3 O7 C30 140.3(16) . .
O8 Zn3 O7 Zn2 -108.8(6) . .
O6 Zn3 O7 Zn2 74.7(6) . .
O3 Zn3 O7 Zn2 -20.2(5) . .
N2 Zn3 O7 Zn2 157.7(6) . .
Na2 Zn3 O7 Zn2 -77.0(4) . .
O8 Zn3 O7 Na2 -31.8(6) . .
O6 Zn3 O7 Na2 151.6(5) . .
O3 Zn3 O7 Na2 56.7(4) . .
N2 Zn3 O7 Na2 -125.3(5) . .
Zn2 Zn3 O7 Na2 77.0(4) . .
O4 Zn2 O7 C30 -92.1(13) . .
O2 Zn2 O7 C30 60.0(13) . .
O3 Zn2 O7 C30 167.0(13) . .
N1 Zn2 O7 C30 145(2) . .
Zn3 Zn2 O7 C30 146.9(15) . .
Na2 Zn2 O7 C30 -135.3(14) . .
O4 Zn2 O7 Zn3 121.0(5) . .
O2 Zn2 O7 Zn3 -86.9(5) . .
O3 Zn2 O7 Zn3 20.1(4) . .
N1 Zn2 O7 Zn3 -2(3) . .
Na2 Zn2 O7 Zn3 77.8(4) . .
O4 Zn2 O7 Na2 43.2(5) . .
O2 Zn2 O7 Na2 -164.7(4) . .
O3 Zn2 O7 Na2 -57.7(4) . .
N1 Zn2 O7 Na2 -80(3) . .
Zn3 Zn2 O7 Na2 -77.8(4) . .
O22 Na2 O7 C30 3(25) . .
O21 Na2 O7 C30 -13.4(18) . .
O8 Na2 O7 C30 -111.6(17) . .
O4 Na2 O7 C30 87.7(17) . .
O19 Na2 O7 C30 166(3) . .
O3 Na2 O7 C30 174.0(18) . .
C75 Na2 O7 C30 -168(2) . .
Zn2 Na2 O7 C30 124.3(18) . .
Zn3 Na2 O7 C30 -137.4(18) . .
S3 Na2 O7 C30 20(3) . .
S2 Na2 O7 C30 -13.5(17) . .
O22 Na2 O7 Zn3 140(25) . .
O21 Na2 O7 Zn3 124.1(7) . .
O8 Na2 O7 Zn3 25.9(5) . .
O4 Na2 O7 Zn3 -134.9(5) . .
O19 Na2 O7 Zn3 -57(3) . .
O3 Na2 O7 Zn3 -48.5(4) . .
C75 Na2 O7 Zn3 -30(2) . .
Zn2 Na2 O7 Zn3 -98.2(5) . .
S3 Na2 O7 Zn3 157.8(15) . .
S2 Na2 O7 Zn3 123.9(5) . .
O22 Na2 O7 Zn2 -122(25) . .
O21 Na2 O7 Zn2 -137.7(7) . .
O8 Na2 O7 Zn2 124.1(6) . .
O4 Na2 O7 Zn2 -36.6(4) . .
O19 Na2 O7 Zn2 42(3) . .
O3 Na2 O7 Zn2 49.7(4) . .
C75 Na2 O7 Zn2 68(2) . .
Zn3 Na2 O7 Zn2 98.2(5) . .
S3 Na2 O7 Zn2 -104.0(15) . .
S2 Na2 O7 Zn2 -137.9(5) . .
O6 Zn3 O8 C23 70(2) . .
O7 Zn3 O8 C23 -103.7(16) . .
O3 Zn3 O8 C23 174.6(17) . .
N2 Zn3 O8 C23 -12.3(17) . .
Zn2 Zn3 O8 C23 -147.3(15) . .
Na2 Zn3 O8 C23 -140.0(19) . .
O6 Zn3 O8 Na2 -150.4(9) . .
O7 Zn3 O8 Na2 36.3(6) . .
O3 Zn3 O8 Na2 -45.4(6) . .
N2 Zn3 O8 Na2 127.7(6) . .
Zn2 Zn3 O8 Na2 -7.3(6) . .
O22 Na2 O8 C23 -65(3) . .
O21 Na2 O8 C23 9.4(19) . .
O4 Na2 O8 C23 138.0(17) . .
O19 Na2 O8 C23 -101(2) . .
O3 Na2 O8 C23 174.3(18) . .
O7 Na2 O8 C23 111.4(17) . .
C75 Na2 O8 C23 -109(2) . .
Zn2 Na2 O8 C23 144.4(16) . .
Zn3 Na2 O8 C23 137.7(19) . .
S3 Na2 O8 C23 -47.7(19) . .
S2 Na2 O8 C23 32.6(18) . .
O22 Na2 O8 Zn3 157.4(19) . .
O21 Na2 O8 Zn3 -128.3(8) . .
O4 Na2 O8 Zn3 0.3(12) . .
O19 Na2 O8 Zn3 121.3(13) . .
O3 Na2 O8 Zn3 36.6(5) . .
O7 Na2 O8 Zn3 -26.3(4) . .
C75 Na2 O8 Zn3 113.5(15) . .
Zn2 Na2 O8 Zn3 6.7(5) . .
S3 Na2 O8 Zn3 174.5(7) . .
S2 Na2 O8 Zn3 -105.1(6) . .
O14 Zn1 O10 C53 144.1(11) . .
O2 Zn1 O10 C53 24.9(12) . .
O6 Zn1 O10 C53 -97.4(12) . .
O14 Zn1 O10 Zn5 11.7(9) . .
O2 Zn1 O10 Zn5 -107.5(7) . .
O6 Zn1 O10 Zn5 130.2(7) . .
O12 Zn5 O10 C53 57.5(18) . .
O15 Zn5 O10 C53 166.4(11) . .
O11 Zn5 O10 C53 -111.0(11) . .
N4 Zn5 O10 C53 -23.0(11) . .
Zn4 Zn5 O10 C53 -150.8(10) . .
Na1 Zn5 O10 C53 -145.1(10) . .
O12 Zn5 O10 Zn1 -168.1(10) . .
O15 Zn5 O10 Zn1 -59.2(7) . .
O11 Zn5 O10 Zn1 23.4(8) . .
N4 Zn5 O10 Zn1 111.4(8) . .
Zn4 Zn5 O10 Zn1 -16.4(6) . .
Na1 Zn5 O10 Zn1 -10.7(14) . .
O16 Zn4 O11 C64 97.1(14) . .
O14 Zn4 O11 C64 -52.2(14) . .
O15 Zn4 O11 C64 -159.1(14) . .
N3 Zn4 O11 C64 -163(4) . .
Zn5 Zn4 O11 C64 -137.9(16) . .
Na1 Zn4 O11 C64 133.7(15) . .
O16 Zn4 O11 Zn5 -125.0(6) . .
O14 Zn4 O11 Zn5 85.6(5) . .
O15 Zn4 O11 Zn5 -21.2(5) . .
N3 Zn4 O11 Zn5 -26(4) . .
Na1 Zn4 O11 Zn5 -88.5(5) . .
O16 Zn4 O11 Na1 -36.6(5) . .
O14 Zn4 O11 Na1 174.1(5) . .
O15 Zn4 O11 Na1 67.2(5) . .
N3 Zn4 O11 Na1 63(4) . .
Zn5 Zn4 O11 Na1 88.5(5) . .
O12 Zn5 O11 C64 -108.3(13) . .
O10 Zn5 O11 C64 67.0(14) . .
O15 Zn5 O11 C64 160.0(14) . .
N4 Zn5 O11 C64 -15.2(13) . .
Zn4 Zn5 O11 C64 138.6(15) . .
Na1 Zn5 O11 C64 -132.4(14) . .
O12 Zn5 O11 Zn4 113.0(5) . .
O10 Zn5 O11 Zn4 -71.7(6) . .
O15 Zn5 O11 Zn4 21.3(5) . .
N4 Zn5 O11 Zn4 -153.9(6) . .
Na1 Zn5 O11 Zn4 88.9(5) . .
O12 Zn5 O11 Na1 24.1(5) . .
O10 Zn5 O11 Na1 -160.6(4) . .
O15 Zn5 O11 Na1 -67.6(5) . .
N4 Zn5 O11 Na1 117.2(5) . .
Zn4 Zn5 O11 Na1 -88.9(5) . .
O18 Na1 O11 C64 -164(4) . .
O20 Na1 O11 C64 -1.0(15) . .
O16 Na1 O11 C64 -103.1(14) . .
O12 Na1 O11 C64 112.4(14) . .
Zn4 Na1 O11 C64 -134.1(15) . .
Zn5 Na1 O11 C64 132.0(15) . .
S1' Na1 O11 C64 -17.2(14) . .
O18 Na1 O11 Zn4 -30(5) . .
O20 Na1 O11 Zn4 133.2(6) . .
O16 Na1 O11 Zn4 31.0(4) . .
O12 Na1 O11 Zn4 -113.4(5) . .
Zn5 Na1 O11 Zn4 -93.9(5) . .
S1' Na1 O11 Zn4 116.9(7) . .
O18 Na1 O11 Zn5 64(5) . .
O20 Na1 O11 Zn5 -133.0(6) . .
O16 Na1 O11 Zn5 124.9(6) . .
O12 Na1 O11 Zn5 -19.5(4) . .
Zn4 Na1 O11 Zn5 93.9(5) . .
S1' Na1 O11 Zn5 -149.2(7) . .
O10 Zn5 O12 C57 -57(2) . .
O15 Zn5 O12 C57 -166.0(16) . .
O11 Zn5 O12 C57 112.4(16) . .
N4 Zn5 O12 C57 21.8(16) . .
Zn4 Zn5 O12 C57 153.8(15) . .
Na1 Zn5 O12 C57 136.8(18) . .
O10 Zn5 O12 Na1 166.7(11) . .
O15 Zn5 O12 Na1 57.3(5) . .
O11 Zn5 O12 Na1 -24.3(5) . .
N4 Zn5 O12 Na1 -115.0(6) . .
Zn4 Zn5 O12 Na1 17.0(5) . .
O18 Na1 O12 C57 73.1(16) . .
O20 Na1 O12 C57 -29.3(17) . .
O16 Na1 O12 C57 -160.8(14) . .
O11 Na1 O12 C57 -116.4(15) . .
Zn4 Na1 O12 C57 -152.3(15) . .
Zn5 Na1 O12 C57 -137.2(17) . .
S1' Na1 O12 C57 -52.2(19) . .
O18 Na1 O12 Zn5 -149.7(7) . .
O20 Na1 O12 Zn5 108.0(7) . .
O16 Na1 O12 Zn5 -23.5(9) . .
O11 Na1 O12 Zn5 20.8(5) . .
Zn4 Na1 O12 Zn5 -15.1(5) . .
S1' Na1 O12 Zn5 85.1(12) . .
O10 Zn1 O14 C36 135.6(12) . .
O2 Zn1 O14 C36 -104.7(12) . .
O6 Zn1 O14 C36 16.9(13) . .
O10 Zn1 O14 Zn4 5.3(8) . .
O2 Zn1 O14 Zn4 125.0(6) . .
O6 Zn1 O14 Zn4 -113.4(6) . .
O16 Zn4 O14 C36 68.2(15) . .
O11 Zn4 O14 C36 169.0(11) . .
O15 Zn4 O14 C36 -106.1(11) . .
N3 Zn4 O14 C36 -18.6(11) . .
Zn5 Zn4 O14 C36 -147.3(10) . .
Na1 Zn4 O14 C36 178.3(9) . .
O16 Zn4 O14 Zn1 -157.3(8) . .
O11 Zn4 O14 Zn1 -56.4(7) . .
O15 Zn4 O14 Zn1 28.4(8) . .
N3 Zn4 O14 Zn1 115.9(7) . .
Zn5 Zn4 O14 Zn1 -12.8(6) . .
Na1 Zn4 O14 Zn1 -47.2(11) . .
O12 Zn5 O15 C47 103.1(13) . .
O10 Zn5 O15 C47 -54.1(13) . .
O11 Zn5 O15 C47 -161.1(14) . .
N4 Zn5 O15 C47 -131(3) . .
Zn4 Zn5 O15 C47 -140.0(15) . .
Na1 Zn5 O15 C47 147.8(14) . .
O12 Zn5 O15 Zn4 -116.9(5) . .
O10 Zn5 O15 Zn4 85.9(5) . .
O11 Zn5 O15 Zn4 -21.1(5) . .
N4 Zn5 O15 Zn4 9(3) . .
Na1 Zn5 O15 Zn4 -72.2(4) . .
O16 Zn4 O15 C47 -115.5(14) . .
O11 Zn4 O15 C47 158.6(14) . .
O14 Zn4 O15 C47 61.4(15) . .
N3 Zn4 O15 C47 -22.0(15) . .
Zn5 Zn4 O15 C47 137.0(16) . .
Na1 Zn4 O15 C47 -150.2(15) . .
O16 Zn4 O15 Zn5 107.5(5) . .
O11 Zn4 O15 Zn5 21.6(5) . .
O14 Zn4 O15 Zn5 -75.6(5) . .
N3 Zn4 O15 Zn5 -159.0(6) . .
Na1 Zn4 O15 Zn5 72.8(4) . .
O11 Zn4 O16 C40 -178.7(16) . .
O14 Zn4 O16 C40 -74.7(19) . .
O15 Zn4 O16 C40 99.7(16) . .
N3 Zn4 O16 C40 9.4(16) . .
Zn5 Zn4 O16 C40 143.8(15) . .
Na1 Zn4 O16 C40 143.5(18) . .
O11 Zn4 O16 Na1 37.8(5) . .
O14 Zn4 O16 Na1 141.7(8) . .
O15 Zn4 O16 Na1 -43.9(6) . .
N3 Zn4 O16 Na1 -134.2(6) . .
Zn5 Zn4 O16 Na1 0.3(6) . .
O18 Na1 O16 C40 -3.8(18) . .
O20 Na1 O16 C40 95.9(17) . .
O12 Na1 O16 C40 -128.8(15) . .
O11 Na1 O16 C40 -175.3(17) . .
Zn4 Na1 O16 C40 -142.8(18) . .
Zn5 Na1 O16 C40 -143.0(15) . .
S1' Na1 O16 C40 104.4(17) . .
O18 Na1 O16 Zn4 139.0(7) . .
O20 Na1 O16 Zn4 -121.4(7) . .
O12 Na1 O16 Zn4 13.9(9) . .
O11 Na1 O16 Zn4 -32.6(5) . .
Zn5 Na1 O16 Zn4 -0.3(5) . .
S1' Na1 O16 Zn4 -112.9(8) . .
O20 Na1 O18 C72 13(4) . .
O16 Na1 O18 C72 118(4) . .
O12 Na1 O18 C72 -103(4) . .
O11 Na1 O18 C72 176(4) . .
Zn4 Na1 O18 C72 151(4) . .
Zn5 Na1 O18 C72 -129(4) . .
S1' Na1 O18 C72 31(4) . .
O22 Na2 O19 C75 -126(6) . .
O21 Na2 O19 C75 -125(4) . .
O8 Na2 O19 C75 -19(5) . .
O4 Na2 O19 C75 124(4) . .
O3 Na2 O19 C75 49(4) . .
O7 Na2 O19 C75 56(5) . .
Zn2 Na2 O19 C75 84(5) . .
Zn3 Na2 O19 C75 19(5) . .
S3 Na2 O19 C75 -141(5) . .
S2 Na2 O19 C75 -125(4) . .
O18 Na1 O20 S1' 131.3(19) . .
O16 Na1 O20 S1' 22.7(19) . .
O12 Na1 O20 S1' -120.9(18) . .
O11 Na1 O20 S1' -46.0(19) . .
Zn4 Na1 O20 S1' -14(2) . .
Zn5 Na1 O20 S1' -79.1(19) . .
O18 Na1 O20 S1 86(4) . .
O16 Na1 O20 S1 -23(4) . .
O12 Na1 O20 S1 -166(4) . .
O11 Na1 O20 S1 -92(4) . .
Zn4 Na1 O20 S1 -59(4) . .
Zn5 Na1 O20 S1 -125(4) . .
S1' Na1 O20 S1 -46(3) . .
O22 Na2 O21 S2' -106(3) . .
O8 Na2 O21 S2' 148(3) . .
O4 Na2 O21 S2' 2(3) . .
O19 Na2 O21 S2' -106(3) . .
O3 Na2 O21 S2' 95(4) . .
O7 Na2 O21 S2' 73(3) . .
C75 Na2 O21 S2' -129(3) . .
Zn2 Na2 O21 S2' 37(3) . .
Zn3 Na2 O21 S2' 112(3) . .
S3 Na2 O21 S2' -91(3) . .
S2 Na2 O21 S2' 74(3) . .
O22 Na2 O21 S2 -179(2) . .
O8 Na2 O21 S2 74.7(17) . .
O4 Na2 O21 S2 -71.6(17) . .
O19 Na2 O21 S2 -180(2) . .
O3 Na2 O21 S2 21(4) . .
O7 Na2 O21 S2 -0.4(18) . .
C75 Na2 O21 S2 157(2) . .
Zn2 Na2 O21 S2 -36(2) . .
Zn3 Na2 O21 S2 38.7(19) . .
S3 Na2 O21 S2 -165(2) . .
O21 Na2 O22 S3 37(4) . .
O8 Na2 O22 S3 134(4) . .
O4 Na2 O22 S3 -63(5) . .
O19 Na2 O22 S3 -144(7) . .
O3 Na2 O22 S3 -150(4) . .
O7 Na2 O22 S3 21(29) . .
C75 Na2 O22 S3 -168(6) . .
Zn2 Na2 O22 S3 -97(5) . .
Zn3 Na2 O22 S3 158(3) . .
S2 Na2 O22 S3 37(5) . .
S1' O20 S1 C78 -54(2) . .
Na1 O20 S1 C78 5(5) . .
S1' O20 S1 C79 55(2) . .
Na1 O20 S1 C79 115(4) . .
S2' O21 S2 C81 60.8(16) . .
Na2 O21 S2 C81 -167.4(16) . .
S2' O21 S2 C80 -51.1(17) . .
Na2 O21 S2 C80 80.7(19) . .
S2' O21 S2 Na2 -131.8(18) . .
O22 Na2 S2 O21 1(2) . .
O8 Na2 S2 O21 -108.8(17) . .
O4 Na2 S2 O21 113.0(17) . .
O19 Na2 S2 O21 0(2) . .
O3 Na2 S2 O21 -170.4(17) . .
O7 Na2 S2 O21 179.6(18) . .
C75 Na2 S2 O21 -32(3) . .
Zn2 Na2 S2 O21 151.6(17) . .
Zn3 Na2 S2 O21 -147.3(17) . .
S3 Na2 S2 O21 13.0(17) . .
O22 Na2 S2 C81 17(3) . .
O21 Na2 S2 C81 17(2) . .
O8 Na2 S2 C81 -92(2) . .
O4 Na2 S2 C81 129(2) . .
O19 Na2 S2 C81 17(3) . .
O3 Na2 S2 C81 -153.9(18) . .
O7 Na2 S2 C81 -164(2) . .
C75 Na2 S2 C81 -16(3) . .
Zn2 Na2 S2 C81 168.2(18) . .
Zn3 Na2 S2 C81 -130.8(19) . .
S3 Na2 S2 C81 29(2) . .
O22 Na2 S2 C80 -104(2) . .
O21 Na2 S2 C80 -105(2) . .
O8 Na2 S2 C80 146.2(14) . .
O4 Na2 S2 C80 7.9(14) . .
O19 Na2 S2 C80 -105(2) . .
O3 Na2 S2 C80 84.5(16) . .
O7 Na2 S2 C80 74.6(13) . .
C75 Na2 S2 C80 -137(3) . .
Zn2 Na2 S2 C80 46.6(14) . .
Zn3 Na2 S2 C80 107.6(13) . .
S3 Na2 S2 C80 -92.1(14) . .
Na2 O22 S3 C82 132(4) . 2_556
Na2 O22 S3 C82 -126(4) . .
Na2 O22 S3 S3 -149(4) . 2_556
O21 Na2 S3 O22 -136(5) . .
O8 Na2 S3 O22 -53(5) . .
O4 Na2 S3 O22 123(5) . .
O19 Na2 S3 O22 25(5) . .
O3 Na2 S3 O22 41(5) . .
O7 Na2 S3 O22 -177(5) . .
C75 Na2 S3 O22 10(5) . .
Zn2 Na2 S3 O22 108(5) . .
Zn3 Na2 S3 O22 -43(5) . .
S2 Na2 S3 O22 -143(5) . .
O22 Na2 S3 C82 -65(5) . 2_556
O21 Na2 S3 C82 159(3) . 2_556
O8 Na2 S3 C82 -119(2) . 2_556
O4 Na2 S3 C82 57(3) . 2_556
O19 Na2 S3 C82 -40(3) . 2_556
O3 Na2 S3 C82 -24(3) . 2_556
O7 Na2 S3 C82 118(3) . 2_556
C75 Na2 S3 C82 -55(3) . 2_556
Zn2 Na2 S3 C82 43(3) . 2_556
Zn3 Na2 S3 C82 -108(3) . 2_556
S2 Na2 S3 C82 152(3) . 2_556
O22 Na2 S3 C82 60(5) . .
O21 Na2 S3 C82 -75.8(18) . .
O8 Na2 S3 C82 7(2) . .
O4 Na2 S3 C82 -177.2(17) . .
O19 Na2 S3 C82 86(2) . .
O3 Na2 S3 C82 101.4(19) . .
O7 Na2 S3 C82 -116(2) . .
C75 Na2 S3 C82 70(2) . .
Zn2 Na2 S3 C82 168.2(16) . .
Zn3 Na2 S3 C82 17(3) . .
S2 Na2 S3 C82 -82.2(17) . .
O22 Na2 S3 S3 97(6) . 2_556
O21 Na2 S3 S3 -39(2) . 2_556
O8 Na2 S3 S3 43(3) . 2_556
O4 Na2 S3 S3 -141(2) . 2_556
O19 Na2 S3 S3 122(3) . 2_556
O3 Na2 S3 S3 137.9(19) . 2_556
O7 Na2 S3 S3 -80(3) . 2_556
C75 Na2 S3 S3 107(3) . 2_556
Zn2 Na2 S3 S3 -155(2) . 2_556
Zn3 Na2 S3 S3 54(3) . 2_556
S2 Na2 S3 S3 -46(2) . 2_556
S1 O20 S1' C78 58(3) . .
Na1 O20 S1' C78 -99(3) . .
S1 O20 S1' C79 -61(3) . .
Na1 O20 S1' C79 142(2) . .
S1 O20 S1' Na1 156.9(17) . .
O18 Na1 S1' O20 -52.5(19) . .
O16 Na1 S1' O20 -157.6(19) . .
O12 Na1 S1' O20 70(2) . .
O11 Na1 S1' O20 132.8(19) . .
Zn4 Na1 S1' O20 167.8(18) . .
Zn5 Na1 S1' O20 111.6(19) . .
O18 Na1 S1' C78 46(3) . .
O20 Na1 S1' C78 99(4) . .
O16 Na1 S1' C78 -59(3) . .
O12 Na1 S1' C78 169(2) . .
O11 Na1 S1' C78 -129(3) . .
Zn4 Na1 S1' C78 -94(3) . .
Zn5 Na1 S1' C78 -150(2) . .
O18 Na1 S1' C79 -112(4) . .
O20 Na1 S1' C79 -59(3) . .
O16 Na1 S1' C79 143(4) . .
O12 Na1 S1' C79 11(4) . .
O11 Na1 S1' C79 74(4) . .
Zn4 Na1 S1' C79 109(4) . .
Zn5 Na1 S1' C79 52(4) . .
S2 O21 S2' C80 51.5(18) . .
Na2 O21 S2' C80 -46(3) . .
S2 O21 S2' C81 -59.8(17) . .
Na2 O21 S2' C81 -158(2) . .
C11 N1 C1 C2 -165.4(15) . .
C4 N1 C1 C2 66.5(18) . .
Zn2 N1 C1 C2 -39.3(15) . .
Zn1 O2 C2 C3 -156.2(12) . .
Zn2 O2 C2 C3 67.5(15) . .
Zn1 O2 C2 C1 84.7(14) . .
Zn2 O2 C2 C1 -51.7(14) . .
N1 C1 C2 O2 62.9(18) . .
N1 C1 C2 C3 -58.7(19) . .
C4 O1 C3 C2 -59(2) . .
O2 C2 C3 O1 -63.8(19) . .
C1 C2 C3 O1 54(2) . .
C3 O1 C4 C5 -174.4(16) . .
C3 O1 C4 N1 61.6(19) . .
C1 N1 C4 C5 175.3(16) . .
C11 N1 C4 C5 46(2) . .
Zn2 N1 C4 C5 -73.3(17) . .
C1 N1 C4 O1 -66.6(17) . .
C11 N1 C4 O1 163.7(14) . .
Zn2 N1 C4 O1 44.9(14) . .
O1 C4 C5 C6 -62(2) . .
N1 C4 C5 C6 54(3) . .
O1 C4 C5 C10 120.7(18) . .
N1 C4 C5 C10 -123.2(19) . .
Zn2 O4 C6 C5 -12(3) . .
Na2 O4 C6 C5 -128.5(18) . .
Zn2 O4 C6 C7 168.9(13) . .
Na2 O4 C6 C7 53(2) . .
C10 C5 C6 O4 177.3(18) . .
C4 C5 C6 O4 0(3) . .
C10 C5 C6 C7 -4(3) . .
C4 C5 C6 C7 179.1(17) . .
O4 C6 C7 C8 179.9(18) . .
C5 C6 C7 C8 1(3) . .
C6 C7 C8 C9 4(3) . .
C7 C8 C9 C10 -5(3) . .
C6 C5 C10 C9 3(3) . .
C4 C5 C10 C9 179.9(17) . .
C8 C9 C10 C5 2(3) . .
C1 N1 C11 C12 57(2) . .
C4 N1 C11 C12 -175.6(15) . .
Zn2 N1 C11 C12 -65.8(18) . .
N1 C11 C12 C13 56(2) . .
N1 C11 C12 C17 -123.2(18) . .
Zn3 O3 C13 C12 -161.7(13) . .
Zn2 O3 C13 C12 -33(2) . .
Na2 O3 C13 C12 87(2) . .
Zn3 O3 C13 C14 23(2) . .
Zn2 O3 C13 C14 152.1(13) . .
Na2 O3 C13 C14 -88(2) . .
C17 C12 C13 O3 176.6(15) . .
C11 C12 C13 O3 -3(3) . .
C17 C12 C13 C14 -8(3) . .
C11 C12 C13 C14 172.0(16) . .
O3 C13 C14 C15 -174.8(16) . .
C12 C13 C14 C15 10(3) . .
C13 C14 C15 C16 -9(3) . .
C14 C15 C16 C17 5(3) . .
C15 C16 C17 C12 -3(3) . .
C13 C12 C17 C16 5(3) . .
C11 C12 C17 C16 -175.9(16) . .
C28 N2 C18 C19 -166.0(16) . .
C21 N2 C18 C19 64.4(19) . .
Zn3 N2 C18 C19 -42.3(16) . .
Zn1 O6 C19 C20 -155.2(12) . .
Zn3 O6 C19 C20 68.6(17) . .
Zn1 O6 C19 C18 87.3(15) . .
Zn3 O6 C19 C18 -48.8(15) . .
N2 C18 C19 O6 61.7(18) . .
N2 C18 C19 C20 -57(2) . .
C21 O5 C20 C19 -60(2) . .
O6 C19 C20 O5 -62(2) . .
C18 C19 C20 O5 54(2) . .
C20 O5 C21 N2 64.2(19) . .
C20 O5 C21 C22 -178.7(16) . .
C28 N2 C21 O5 163.3(15) . .
C18 N2 C21 O5 -67.4(18) . .
Zn3 N2 C21 O5 41.8(15) . .
C28 N2 C21 C22 48(2) . .
C18 N2 C21 C22 177.4(17) . .
Zn3 N2 C21 C22 -73.3(17) . .
O5 C21 C22 C23 -59(3) . .
N2 C21 C22 C23 55(3) . .
O5 C21 C22 C27 124(2) . .
N2 C21 C22 C27 -122(2) . .
Zn3 O8 C23 C22 -12(3) . .
Na2 O8 C23 C22 -136.4(19) . .
Zn3 O8 C23 C24 166.9(16) . .
Na2 O8 C23 C24 42(3) . .
C27 C22 C23 O8 173(2) . .
C21 C22 C23 O8 -3(4) . .
C27 C22 C23 C24 -6(3) . .
C21 C22 C23 C24 178(2) . .
O8 C23 C24 C25 -176(2) . .
C22 C23 C24 C25 3(4) . .
C23 C24 C25 C26 2(4) . .
C24 C25 C26 C27 -6(4) . .
C25 C26 C27 C22 4(4) . .
C23 C22 C27 C26 2(4) . .
C21 C22 C27 C26 179(2) . .
C18 N2 C28 C29 58(2) . .
C21 N2 C28 C29 -175.7(16) . .
Zn3 N2 C28 C29 -61.1(18) . .
N2 C28 C29 C34 -128.2(18) . .
N2 C28 C29 C30 57(3) . .
Zn3 O7 C30 C31 151.0(14) . .
Zn2 O7 C30 C31 17(2) . .
Na2 O7 C30 C31 -90(2) . .
Zn3 O7 C30 C29 -27(2) . .
Zn2 O7 C30 C29 -161.3(12) . .
Na2 O7 C30 C29 92.2(19) . .
C34 C29 C30 O7 176.1(15) . .
C28 C29 C30 O7 -9(3) . .
C34 C29 C30 C31 -2(3) . .
C28 C29 C30 C31 172.9(18) . .
O7 C30 C31 C32 -174.9(17) . .
C29 C30 C31 C32 3(3) . .
C30 C31 C32 C33 -3(3) . .
C31 C32 C33 C34 3(3) . .
C32 C33 C34 C29 -2(3) . .
C30 C29 C34 C33 1(3) . .
C28 C29 C34 C33 -173.9(18) . .
C45 N3 C35 C36 163.9(15) . .
C38 N3 C35 C36 -66.0(17) . .
Zn4 N3 C35 C36 40.6(15) . .
Zn1 O14 C36 C37 156.9(12) . .
Zn4 O14 C36 C37 -67.5(16) . .
Zn1 O14 C36 C35 -87.7(16) . .
Zn4 O14 C36 C35 47.9(16) . .
N3 C35 C36 O14 -61.1(18) . .
N3 C35 C36 C37 57.7(18) . .
C38 O13 C37 C36 59(2) . .
O14 C36 C37 O13 61(2) . .
C35 C36 C37 O13 -57(2) . .
C37 O13 C38 C39 177.8(15) . .
C37 O13 C38 N3 -61.4(19) . .
C45 N3 C38 O13 -167.8(15) . .
C35 N3 C38 O13 66.8(19) . .
Zn4 N3 C38 O13 -43.3(16) . .
C45 N3 C38 C39 -50(2) . .
C35 N3 C38 C39 -175.5(16) . .
Zn4 N3 C38 C39 74.4(16) . .
O13 C38 C39 C44 -119(2) . .
N3 C38 C39 C44 123(2) . .
O13 C38 C39 C40 64(3) . .
N3 C38 C39 C40 -54(3) . .
Zn4 O16 C40 C41 -169.1(16) . .
Na1 O16 C40 C41 -38(3) . .
Zn4 O16 C40 C39 16(3) . .
Na1 O16 C40 C39 147.5(15) . .
C44 C39 C40 C41 7(3) . .
C38 C39 C40 C41 -176(2) . .
C44 C39 C40 O16 -178.1(18) . .
C38 C39 C40 O16 -1(3) . .
O16 C40 C41 C42 179(2) . .
C39 C40 C41 C42 -7(3) . .
C40 C41 C42 C43 6(3) . .
C41 C42 C43 C44 -5(3) . .
C42 C43 C44 C39 7(4) . .
C38 C39 C44 C43 175(2) . .
C40 C39 C44 C43 -8(3) . .
C38 N3 C45 C46 178.8(16) . .
C35 N3 C45 C46 -56(2) . .
Zn4 N3 C45 C46 61.8(19) . .
N3 C45 C46 C51 128.8(19) . .
N3 C45 C46 C47 -54(2) . .
Zn5 O15 C47 C48 -25(2) . .
Zn4 O15 C47 C48 -151.0(13) . .
Zn5 O15 C47 C46 163.7(11) . .
Zn4 O15 C47 C46 37(2) . .
C51 C46 C47 O15 178.4(16) . .
C45 C46 C47 O15 1(3) . .
C51 C46 C47 C48 7(3) . .
C45 C46 C47 C48 -171.0(18) . .
O15 C47 C48 C49 -179.9(16) . .
C46 C47 C48 C49 -8(2) . .
C47 C48 C49 C50 6(3) . .
C48 C49 C50 C51 -2(3) . .
C45 C46 C51 C50 175.4(18) . .
C47 C46 C51 C50 -2(3) . .
C49 C50 C51 C46 0(3) . .
C62 N4 C52 C53 162.0(14) . .
C55 N4 C52 C53 -65.1(18) . .
Zn5 N4 C52 C53 36.8(15) . .
Zn1 O10 C53 C54 156.0(12) . .
Zn5 O10 C53 C54 -65.8(16) . .
Zn1 O10 C53 C52 -89.0(14) . .
Zn5 O10 C53 C52 49.3(15) . .
N4 C52 C53 O10 -58.3(17) . .
N4 C52 C53 C54 59.1(19) . .
O10 C53 C54 O9 61.7(19) . .
C52 C53 C54 O9 -53(2) . .
C55 O9 C54 C53 57.3(19) . .
C54 O9 C55 C56 175.3(14) . .
C54 O9 C55 N4 -59.6(18) . .
C52 N4 C55 O9 66.5(19) . .
C62 N4 C55 O9 -160.4(15) . .
Zn5 N4 C55 O9 -42.9(15) . .
C52 N4 C55 C56 -173.3(16) . .
C62 N4 C55 C56 -40(2) . .
Zn5 N4 C55 C56 77.2(17) . .
O9 C55 C56 C61 -118(2) . .
N4 C55 C56 C61 121(2) . .
O9 C55 C56 C57 65(2) . .
N4 C55 C56 C57 -56(3) . .
Zn5 O12 C57 C58 -173.3(14) . .
Na1 O12 C57 C58 -50(3) . .
Zn5 O12 C57 C56 4(3) . .
Na1 O12 C57 C56 127.1(19) . .
C61 C56 C57 O12 -174(2) . .
C55 C56 C57 O12 3(3) . .
C61 C56 C57 C58 3(3) . .
C55 C56 C57 C58 -179.4(19) . .
O12 C57 C58 C59 -178(2) . .
C56 C57 C58 C59 5(3) . .
C57 C58 C59 C60 -8(3) . .
C58 C59 C60 C61 3(4) . .
C59 C60 C61 C56 5(4) . .
C57 C56 C61 C60 -8(3) . .
C55 C56 C61 C60 174(2) . .
C52 N4 C62 C63 -57(2) . .
C55 N4 C62 C63 173.2(16) . .
Zn5 N4 C62 C63 65.2(18) . .
N4 C62 C63 C68 126.8(19) . .
N4 C62 C63 C64 -61(3) . .
C68 C63 C64 O11 -179.2(17) . .
C62 C63 C64 O11 9(3) . .
C68 C63 C64 C65 1(3) . .
C62 C63 C64 C65 -171.2(18) . .
Zn4 O11 C64 C63 154.6(14) . .
Zn5 O11 C64 C63 29(2) . .
Na1 O11 C64 C63 -87(2) . .
Zn4 O11 C64 C65 -26(2) . .
Zn5 O11 C64 C65 -151.5(13) . .
Na1 O11 C64 C65 92.6(18) . .
C63 C64 C65 C66 -1(3) . .
O11 C64 C65 C66 179.1(18) . .
C64 C65 C66 C67 2(3) . .
C65 C66 C67 C68 -3(3) . .
C64 C63 C68 C67 -2(3) . .
C62 C63 C68 C67 170.8(18) . .
C66 C67 C68 C63 3(3) . .
C70 N5 C69 O17 -13(9) . .
C71 N5 C69 O17 -180(4) . .
Na1 O18 C72 N6 -158(3) . .
C74 N6 C72 O18 0(6) . .
C73 N6 C72 O18 -180(3) . .
Na2 O19 C75 N7 155(7) . .
C77 N7 C75 O19 0(15) . .
C76 N7 C75 O19 -180(9) . .
C77 N7 C75 Na2 65(25) . .
C76 N7 C75 Na2 -115(16) . .
O22 Na2 C75 O19 36(4) . .
O21 Na2 C75 O19 64(5) . .
O8 Na2 C75 O19 161(5) . .
O4 Na2 C75 O19 -63(5) . .
O3 Na2 C75 O19 -128(5) . .
O7 Na2 C75 O19 -145(4) . .
Zn2 Na2 C75 O19 -105(4) . .
Zn3 Na2 C75 O19 -164(4) . .
S3 Na2 C75 O19 32(4) . .
S2 Na2 C75 O19 79(5) . .
O22 Na2 C75 N7 -41(18) . .
O21 Na2 C75 N7 -13(20) . .
O8 Na2 C75 N7 84(19) . .
O4 Na2 C75 N7 -140(19) . .
O19 Na2 C75 N7 -77(19) . .
O3 Na2 C75 N7 154(19) . .
O7 Na2 C75 N7 138(18) . .
Zn2 Na2 C75 N7 177(19) . .
Zn3 Na2 C75 N7 119(19) . .
S3 Na2 C75 N7 -46(19) . .
S2 Na2 C75 N7 1(20) . .
O20 S1' C78 S1 -55(3) . .
C79 S1' C78 S1 68(3) . .
Na1 S1' C78 S1 -97(2) . .
O20 S1 C78 S1' 53(2) . .
C79 S1 C78 S1' -61(2) . .
O20 S1' C79 S1 57(3) . .
C78 S1' C79 S1 -67(3) . .
Na1 S1' C79 S1 92(4) . .
O20 S1 C79 S1' -54(2) . .
C78 S1 C79 S1' 62(2) . .
O21 S2' C80 S2 -48.6(16) . .
C81 S2' C80 S2 48.5(18) . .
O21 S2 C80 S2' 47.5(15) . .
C81 S2 C80 S2' -49.5(19) . .
Na2 S2 C80 S2' 86.2(15) . .
O21 S2 C81 S2' -55.2(15) . .
C80 S2 C81 S2' 49.0(19) . .
Na2 S2 C81 S2' -66(2) . .
O21 S2' C81 S2 56.3(15) . .
C80 S2' C81 S2 -48.8(18) . .
O22 S3 C82 S3 -166(3) . 2_556
C82 S3 C82 S3 -48(3) 2_556 2_556
Na2 S3 C82 S3 169.0(11) . 2_556
