#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:24:35 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180433 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/02/7210223.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_7210223
loop_
_publ_author_name
'Xiong, Zhifang'
'Shi, Bingbing'
'Li, Li'
'Zhu, Yanyan'
'Li, Gang'
_publ_section_title
;
 Construction of transition-metal coordination polymers using
 multifunctional imidazole dicarboxylates as spacers
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              4885
_journal_paper_doi               10.1039/c3ce40511g
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C72 H0 N12 O60 Zn9'
_chemical_formula_weight         2581.17
_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                110.7850(10)
_cell_angle_beta                 108.123(2)
_cell_angle_gamma                108.1230(10)
_cell_formula_units_Z            1
_cell_length_a                   13.9799(8)
_cell_length_b                   14.9811(5)
_cell_length_c                   14.9811(5)
_cell_measurement_temperature    298(2)
_cell_volume                     2454.30(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_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  0.1039
_diffrn_reflns_av_sigmaI/netI    0.2307
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13325
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    2.272
_exptl_absorpt_correction_T_max  0.5489
_exptl_absorpt_correction_T_min  0.3963
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1266
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.417
_refine_diff_density_min         -1.460
_refine_diff_density_rms         0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     686
_refine_ls_number_reflns         9172
_refine_ls_number_restraints     1872
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.2140
_refine_ls_R_factor_gt           0.1162
_refine_ls_shift/su_max          0.182
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1564P)²+2.3475P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3007
_refine_ls_wR_factor_ref         0.3458
_reflns_number_gt                4359
_reflns_number_total             9172
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40511g.txt
_cod_data_source_block           a6
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2454.29(18)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7210223
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2090(13) -0.0486(11) 0.8768(12) 0.033(2) Uani 1 1 d U . .
C2 C 0.2680(13) 0.0603(11) 0.9225(12) 0.032(2) Uani 1 1 d U . .
C3 C 0.0875(13) 0.0168(12) 0.8665(12) 0.035(2) Uani 1 1 d U . .
C4 C -0.0174(13) 0.0234(12) 0.8408(12) 0.037(2) Uani 1 1 d U . .
C7 C 0.2375(13) -0.1381(11) 0.8573(12) 0.033(2) Uani 1 1 d U . .
C8 C 0.3924(13) 0.1413(12) 0.9758(12) 0.035(2) Uani 1 1 d U . .
C12 C 0.1554(13) 0.4258(12) 0.8623(12) 0.034(2) Uani 1 1 d U . .
C13 C 0.1694(13) 0.3765(12) 0.9260(12) 0.033(2) Uani 1 1 d U . .
C14 C 0.0834(13) 0.4733(12) 0.8333(12) 0.034(2) Uani 1 1 d U . .
C15 C 0.1162(13) 0.3550(12) 0.9940(12) 0.036(2) Uani 1 1 d U . .
C16 C 0.2776(13) 0.3674(12) 0.8517(12) 0.0337(19) Uani 1 1 d U . .
C17 C 0.3595(13) 0.3409(12) 0.8151(12) 0.035(2) Uani 1 1 d U . .
C18 C 0.4616(13) 0.3580(12) 0.8879(13) 0.038(2) Uani 1 1 d U . .
H18 H 0.4811 0.3866 0.9610 0.046 Uiso 1 1 calc R . .
C19 C 0.3251(14) 0.2929(12) 0.7059(13) 0.040(2) Uani 1 1 d U . .
H19 H 0.2565 0.2815 0.6562 0.048 Uiso 1 1 calc R . .
C20 C -0.2080(13) -0.3615(12) 0.5604(12) 0.035(2) Uani 1 1 d U . .
C21 C -0.2530(14) -0.3343(13) 0.6401(13) 0.043(3) Uani 1 1 d U . .
C22 C 0.2568(13) 0.4250(12) 0.5475(12) 0.035(2) Uani 1 1 d U . .
C23 C 0.3794(13) 0.4978(12) 0.6407(12) 0.036(2) Uani 1 1 d U . .
C24 C 0.0698(13) 0.3482(12) 0.4829(12) 0.035(2) Uani 1 1 d U . .
C25 C -0.0403(14) 0.3157(13) 0.4759(12) 0.038(2) Uani 1 1 d U . .
C26 C -0.0720(14) 0.3881(14) 0.5291(13) 0.043(2) Uani 1 1 d U . .
H26 H -0.0214 0.4621 0.5712 0.051 Uiso 1 1 calc R . .
C27 C -0.1197(14) 0.2051(13) 0.4140(13) 0.043(3) Uani 1 1 d U . .
H27 H -0.1001 0.1550 0.3778 0.052 Uiso 1 1 calc R . .
C28 C 0.5006(15) 0.2870(13) 0.7472(14) 0.047(2) Uani 1 1 d U . .
H28 H 0.5508 0.2715 0.7239 0.057 Uiso 1 1 calc R . .
C29 C 0.5339(15) 0.3334(12) 0.8536(14) 0.044(3) Uani 1 1 d U . .
H29 H 0.6047 0.3484 0.9028 0.053 Uiso 1 1 calc R . .
C31 C 0.2658(16) 0.1603(14) 0.4873(14) 0.055(4) Uani 1 1 d U . .
H31A H 0.2344 0.2076 0.4809 0.082 Uiso 1 1 calc R . .
H31B H 0.2221 0.1120 0.5047 0.082 Uiso 1 1 calc R . .
H31C H 0.2629 0.1188 0.4199 0.082 Uiso 1 1 calc R . .
C32 C 0.3994(15) 0.2619(13) 0.6729(14) 0.047(2) Uani 1 1 d U . .
C36 C -0.1012(14) -0.0275(13) 0.8593(13) 0.043(2) Uani 1 1 d U . .
H36 H -0.0930 -0.0700 0.8908 0.051 Uiso 1 1 calc R . .
C37 C -0.0319(14) 0.0888(12) 0.7901(13) 0.043(2) Uani 1 1 d U . .
H37 H 0.0236 0.1236 0.7751 0.051 Uiso 1 1 calc R . .
C43 C -0.2799(19) -0.0180(18) 0.3231(19) 0.086(3) Uani 1 1 d U . .
H43A H -0.2353 -0.0124 0.3901 0.129 Uiso 1 1 calc R . .
H43B H -0.2351 -0.0100 0.2864 0.129 Uiso 1 1 calc R . .
H43C H -0.3469 -0.0877 0.2780 0.129 Uiso 1 1 calc R . .
C44 C -0.2567(16) 0.2430(14) 0.4579(14) 0.052(3) Uani 1 1 d U . .
H44 H -0.3301 0.2191 0.4503 0.062 Uiso 1 1 calc R . .
C45 C -0.2288(15) 0.1697(14) 0.4066(14) 0.051(3) Uani 1 1 d U . .
C46 C -0.1852(14) 0.3456(14) 0.5175(13) 0.046(2) Uani 1 1 d U . .
H46 H -0.2076 0.3930 0.5535 0.055 Uiso 1 1 calc R . .
C52 C -0.1016(17) 0.1761(16) 0.6636(16) 0.066(2) Uani 1 1 d U . .
H52A H -0.1298 0.1114 0.5970 0.100 Uiso 1 1 calc R . .
H52B H -0.0215 0.2030 0.7077 0.100 Uiso 1 1 calc R . .
H52C H -0.1127 0.2300 0.6479 0.100 Uiso 1 1 calc R . .
C56 C -0.1999(15) -0.0162(13) 0.8313(14) 0.048(3) Uani 1 1 d U . .
H56 H -0.2560 -0.0491 0.8468 0.058 Uiso 1 1 calc R . .
C58 C -0.1347(14) 0.0970(13) 0.7648(13) 0.044(2) Uani 1 1 d U . .
C59 C -0.2150(16) 0.0413(14) 0.7825(14) 0.052(3) Uani 1 1 d U . .
H59 H -0.2843 0.0425 0.7599 0.062 Uiso 1 1 calc R . .
N1 N 0.0946(9) -0.0778(8) 0.8409(9) 0.025(3) Uani 1 1 d . . .
N2 N 0.1944(9) 0.1031(8) 0.9179(10) 0.029(3) Uani 1 1 d . . .
N3 N 0.2240(10) 0.4177(9) 0.8141(9) 0.028(3) Uani 1 1 d . . .
N4 N 0.2466(10) 0.3406(9) 0.9167(9) 0.027(3) Uani 1 1 d . . .
N5 N -0.0895(9) -0.3147(8) 0.6018(8) 0.025(3) Uani 1 1 d . . .
N6 N 0.1711(10) 0.4165(9) 0.5776(8) 0.028(3) Uani 1 1 d . . .
O1 O 0.3379(9) -0.1232(8) 0.8872(9) 0.045(2) Uani 1 1 d U . .
O2 O 0.1537(8) -0.2335(7) 0.8024(8) 0.030(2) Uani 1 1 d U . .
O3 O 0.4640(9) 0.1089(8) 0.9647(9) 0.044(2) Uani 1 1 d U . .
O4 O 0.4153(9) 0.2402(8) 1.0163(8) 0.037(2) Uani 1 1 d U . .
O6 O 0.1494(9) 0.3029(8) 1.0356(8) 0.0333(18) Uani 1 1 d U . .
O7 O 0.0479(10) 0.3867(9) 1.0104(9) 0.045(2) Uani 1 1 d U . .
O8 O 0.0997(9) 0.5165(8) 0.7742(8) 0.0383(19) Uani 1 1 d U . .
O9 O 0.0008(10) 0.4661(9) 0.8547(9) 0.046(2) Uani 1 1 d U . .
O10 O -0.1761(8) -0.2751(8) 0.7406(7) 0.033(2) Uani 1 1 d U . .
O11 O -0.3554(9) -0.3554(9) 0.6097(8) 0.047(3) Uani 1 1 d U . .
O12 O 0.3883(10) 0.5368(8) 0.7342(8) 0.039(2) Uani 1 1 d U . .
O13 O 0.3717(14) 0.2177(13) 0.5640(13) 0.098(3) Uani 1 1 d U . .
O14 O 0.4481(12) 0.0318(10) 1.1185(11) 0.075(4) Uani 1 1 d U . .
H14B H 0.5043 0.0403 1.1734 0.112 Uiso 1 1 d R . .
O15 O -0.1718(11) 0.3784(11) 0.9086(11) 0.072(4) Uani 1 1 d U . .
H15B H -0.1980 0.3584 0.9463 0.108 Uiso 1 1 d R . .
O16 O -0.0559(11) -0.4007(9) 0.7589(11) 0.070(3) Uani 1 1 d U . .
H16B H -0.0718 -0.4177 0.6937 0.105 Uiso 1 1 d R . .
H16A H -0.0236 -0.4360 0.7758 0.105 Uiso 1 1 d R . .
O17 O 0.0314(11) -0.2066(10) 0.9385(10) 0.067(3) Uani 1 1 d U . .
H17A H -0.0060 -0.2132 0.9729 0.101 Uiso 1 1 d R . .
H17B H 0.0648 -0.1399 0.9575 0.101 Uiso 1 1 d R . .
O18 O -0.4196(11) -0.5905(10) 0.5295(10) 0.071(4) Uani 1 1 d U . .
H18A H -0.3714 -0.5914 0.5800 0.107 Uiso 1 1 d R . .
H18B H -0.4191 -0.6257 0.4711 0.107 Uiso 1 1 d R . .
O19 O 0.3173(11) 0.2621(10) 1.1632(10) 0.062(3) Uani 1 1 d U . .
H19A H 0.3751 0.3247 1.1970 0.092 Uiso 1 1 d R . .
H19B H 0.2620 0.2738 1.1658 0.092 Uiso 1 1 d R . .
O20 O 0.4074(11) 0.4404(9) 1.1433(10) 0.071(4) Uani 1 1 d U . .
H20B H 0.4798 0.4678 1.1730 0.106 Uiso 1 1 d R . .
H20A H 0.3880 0.4690 1.1058 0.106 Uiso 1 1 d R . .
O21 O -0.3101(12) 0.0582(12) 0.3431(12) 0.086(3) Uani 1 1 d U . .
O23 O 0.4634(11) 0.5115(10) 0.6237(10) 0.066(3) Uani 1 1 d U . .
O24 O 0.3420(12) 0.6585(10) 0.8971(10) 0.079(4) Uani 1 1 d U . .
H24B H 0.3290 0.6878 0.9489 0.118 Uiso 1 1 d R . .
H24A H 0.4134 0.6927 0.9194 0.118 Uiso 1 1 d R . .
O25 O 0.2389(12) 0.6443(10) 0.7040(10) 0.065(3) Uani 1 1 d U . .
H25B H 0.1862 0.6524 0.7168 0.098 Uiso 1 1 d R . .
H25A H 0.2092 0.6079 0.6354 0.098 Uiso 1 1 d R . .
O27 O -0.1542(11) 0.1553(10) 0.7130(11) 0.066(2) Uani 1 1 d U . .
Zn1 Zn 0.27755(13) 0.27056(11) 1.01438(11) 0.0213(4) Uani 1 1 d . . .
Zn2 Zn 0.23635(13) 0.51391(11) 0.74328(11) 0.0212(4) Uani 1 1 d . . .
Zn3 Zn -0.00694(13) -0.24362(11) 0.77059(11) 0.0220(4) Uani 1 1 d . . .
Zn4 Zn 0.5000 0.0000 1.0000 0.0433(8) Uani 1 2 d S . .
Zn5 Zn -0.5000 -0.5000 0.5000 0.0423(8) Uani 1 2 d S . .
Zn6 Zn 0.0000 0.5000 1.0000 0.0415(7) Uani 1 2 d S . .
O1W O 0.5147(14) 0.2399(12) 0.2584(13) 0.104(5) Uani 1 1 d U A 1
H1B H 0.5044 0.2875 0.2447 0.156 Uiso 1 1 d R A 1
O2W O 0.7249(14) 0.4816(12) 0.7390(13) 0.101(4) Uani 1 1 d U . .
H2A H 0.7797 0.5411 0.7941 0.151 Uiso 1 1 d R . .
H2B H 0.6662 0.4906 0.7200 0.151 Uiso 1 1 d R . .
O3W O 0.2380(13) 0.7558(11) 1.0159(11) 0.078(3) Uani 1 1 d U . .
H3B H 0.2164 0.7408 0.9504 0.116 Uiso 1 1 d R . .
H3A H 0.1877 0.7654 1.0324 0.116 Uiso 1 1 d R . .
O4W O 0.444(4) 0.912(4) 0.216(6) 0.55(5) Uani 1 1 d . . .
H4B H 0.4898 0.9245 0.1912 0.818 Uiso 1 1 d R . .
H4A H 0.4805 0.9546 0.2847 0.818 Uiso 1 1 d R . .
O5W O 0.7489(16) 0.3157(15) 0.7095(15) 0.132(5) Uani 1 1 d U . .
H5B H 0.7202 0.2471 0.6782 0.198 Uiso 1 1 d R . .
O5 O 0.4640(15) 0.2092(14) 0.3919(15) 0.121(4) Uani 1 1 d U . .
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'
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
C2 C1 N1 108.2(12) . .
C2 C1 C7 135.9(14) . .
N1 C1 C7 115.9(13) . .
C1 C2 N2 109.8(13) . .
C1 C2 C8 134.8(13) . .
N2 C2 C8 115.4(12) . .
N2 C3 N1 110.0(12) . .
N2 C3 C4 125.2(13) . .
N1 C3 C4 124.8(14) . .
C36 C4 C3 124.3(14) . .
C36 C4 C37 119.5(15) . .
C3 C4 C37 116.2(15) . .
O1 C7 O2 120.6(12) . .
O1 C7 C1 122.7(14) . .
O2 C7 C1 116.5(13) . .
O3 C8 O4 123.7(14) . .
O3 C8 C2 119.9(13) . .
O4 C8 C2 115.7(13) . .
N3 C12 C13 107.3(12) . .
N3 C12 C14 117.5(12) . .
C13 C12 C14 135.1(14) . .
N4 C13 C12 107.9(13) . .
N4 C13 C15 118.6(12) . .
C12 C13 C15 133.6(13) . .
O9 C14 O8 119.8(13) . .
O9 C14 C12 123.3(13) . .
O8 C14 C12 116.6(13) . .
O7 C15 O6 122.6(14) . .
O7 C15 C13 123.9(13) . .
O6 C15 C13 113.5(12) . .
N4 C16 N3 113.4(13) . .
N4 C16 C17 125.0(13) . .
N3 C16 C17 121.4(13) . .
C18 C17 C19 121.3(15) . .
C18 C17 C16 121.1(14) . .
C19 C17 C16 117.5(14) . .
C29 C18 C17 120.3(15) . .
C17 C19 C32 116.4(15) . .
C22 C20 N5 108.2(13) 2_556 .
C22 C20 C21 134.3(15) 2_556 .
N5 C20 C21 117.4(13) . .
O11 C21 O10 122.6(15) . .
O11 C21 C20 121.7(15) . .
O10 C21 C20 115.0(14) . .
C20 C22 N6 108.7(13) 2_556 .
C20 C22 C23 135.7(14) 2_556 .
N6 C22 C23 115.5(12) . .
O23 C23 O12 123.2(15) . .
O23 C23 C22 121.4(14) . .
O12 C23 C22 115.2(14) . .
N5 C24 N6 110.4(13) 2_556 .
N5 C24 C25 124.7(14) 2_556 .
N6 C24 C25 124.9(13) . .
C26 C25 C27 118.5(15) . .
C26 C25 C24 122.9(15) . .
C27 C25 C24 118.5(15) . .
C25 C26 C46 118.0(16) . .
C25 C27 C45 120.2(16) . .
C32 C28 C29 123.4(17) . .
C18 C29 C28 118.4(16) . .
C28 C32 O13 120.7(17) . .
C28 C32 C19 119.8(16) . .
O13 C32 C19 119.0(17) . .
C4 C36 C56 120.0(16) . .
C58 C37 C4 117.1(16) . .
C46 C44 C45 122.5(19) . .
C44 C45 C27 119.3(17) . .
C44 C45 O21 120.1(17) . .
C27 C45 O21 120.5(17) . .
C44 C46 C26 121.5(17) . .
C59 C56 C36 120.9(19) . .
C59 C58 O27 120.9(15) . .
C59 C58 C37 119.7(16) . .
O27 C58 C37 119.1(17) . .
C56 C59 C58 122.7(17) . .
C1 N1 C3 106.2(11) . .
C1 N1 Zn3 112.4(8) . .
C3 N1 Zn3 141.3(10) . .
C3 N2 C2 105.8(11) . .
C3 N2 Zn1 139.6(10) . .
C2 N2 Zn1 112.9(9) . .
C16 N3 C12 105.1(11) . .
C16 N3 Zn2 141.9(10) . .
C12 N3 Zn2 110.8(8) . .
C16 N4 C13 106.2(11) . .
C16 N4 Zn1 143.2(10) . .
C13 N4 Zn1 110.5(9) . .
C24 N5 C20 106.9(12) 2_556 .
C24 N5 Zn3 140.8(10) 2_556 .
C20 N5 Zn3 110.9(9) . .
C24 N6 C22 105.8(11) . .
C24 N6 Zn2 141.8(10) . .
C22 N6 Zn2 112.3(9) . .
C7 O1 Zn4 138.0(10) . .
C7 O2 Zn3 115.7(8) . .
C8 O3 Zn4 129.6(10) . .
C8 O4 Zn1 115.9(10) . .
C15 O6 Zn1 117.9(9) . .
C15 O7 Zn6 138.1(11) . .
C14 O8 Zn2 113.5(9) . .
C14 O9 Zn6 128.9(10) . .
C21 O10 Zn3 115.4(9) . .
C21 O11 Zn5 129.1(10) . .
C23 O12 Zn2 116.7(10) . .
C31 O13 C32 121.7(18) . .
C43 O21 C45 122.1(17) . .
C23 O23 Zn5 138.5(12) . 1_665
C52 O27 C58 121.5(16) . .
N2 Zn1 O6 103.0(4) . .
N2 Zn1 N4 109.6(4) . .
O6 Zn1 N4 79.0(4) . .
N2 Zn1 O4 78.5(4) . .
O6 Zn1 O4 171.4(4) . .
N4 Zn1 O4 108.6(4) . .
N2 Zn1 O19 92.4(5) . .
O6 Zn1 O19 86.0(4) . .
N4 Zn1 O19 155.6(5) . .
O4 Zn1 O19 85.4(4) . .
N2 Zn1 O20 162.7(4) . .
O6 Zn1 O20 89.8(5) . .
N4 Zn1 O20 83.9(5) . .
O4 Zn1 O20 87.1(5) . .
O19 Zn1 O20 76.8(5) . .
N3 Zn2 N6 109.2(4) . .
N3 Zn2 O12 102.5(4) . .
N6 Zn2 O12 79.5(4) . .
N3 Zn2 O8 79.6(4) . .
N6 Zn2 O8 108.5(4) . .
O12 Zn2 O8 170.7(4) . .
N3 Zn2 O24 92.0(5) . .
N6 Zn2 O24 156.2(5) . .
O12 Zn2 O24 85.6(5) . .
O8 Zn2 O24 85.3(5) . .
N3 Zn2 O25 163.2(4) . .
N6 Zn2 O25 84.7(4) . .
O12 Zn2 O25 88.9(4) . .
O8 Zn2 O25 87.2(4) . .
O24 Zn2 O25 76.5(5) . .
N1 Zn3 O2 78.8(4) . .
N1 Zn3 N5 109.7(4) . .
O2 Zn3 N5 102.0(4) . .
N1 Zn3 O10 108.8(4) . .
O2 Zn3 O10 171.4(4) . .
N5 Zn3 O10 79.6(4) . .
N1 Zn3 O16 156.0(5) . .
O2 Zn3 O16 85.8(4) . .
N5 Zn3 O16 91.4(5) . .
O10 Zn3 O16 85.7(4) . .
N1 Zn3 O17 84.8(4) . .
O2 Zn3 O17 89.9(5) . .
N5 Zn3 O17 162.7(4) . .
O10 Zn3 O17 86.8(4) . .
O16 Zn3 O17 76.7(5) . .
O3 Zn4 O3 180.000(5) . 2_657
O3 Zn4 O1 88.3(4) . 2_657
O3 Zn4 O1 91.7(4) 2_657 2_657
O3 Zn4 O1 91.7(4) . .
O3 Zn4 O1 88.3(4) 2_657 .
O1 Zn4 O1 180.000(1) 2_657 .
O3 Zn4 O14 88.2(5) . 2_657
O3 Zn4 O14 91.8(5) 2_657 2_657
O1 Zn4 O14 90.0(5) 2_657 2_657
O1 Zn4 O14 90.0(5) . 2_657
O3 Zn4 O14 91.8(5) . .
O3 Zn4 O14 88.2(5) 2_657 .
O1 Zn4 O14 90.0(5) 2_657 .
O1 Zn4 O14 90.0(5) . .
O14 Zn4 O14 180.0(4) 2_657 .
O11 Zn5 O11 180.0(7) . 2_446
O11 Zn5 O23 87.4(5) . 1_445
O11 Zn5 O23 92.6(5) 2_446 1_445
O11 Zn5 O23 92.6(5) . 2_556
O11 Zn5 O23 87.4(5) 2_446 2_556
O23 Zn5 O23 180.000(1) 1_445 2_556
O11 Zn5 O18 93.3(5) . .
O11 Zn5 O18 86.7(5) 2_446 .
O23 Zn5 O18 89.7(5) 1_445 .
O23 Zn5 O18 90.3(5) 2_556 .
O11 Zn5 O18 86.7(5) . 2_446
O11 Zn5 O18 93.3(5) 2_446 2_446
O23 Zn5 O18 90.3(5) 1_445 2_446
O23 Zn5 O18 89.7(5) 2_556 2_446
O18 Zn5 O18 180.000(2) . 2_446
O7 Zn6 O7 180.000(7) . 2_567
O7 Zn6 O9 87.4(4) . 2_567
O7 Zn6 O9 92.6(4) 2_567 2_567
O7 Zn6 O9 92.6(4) . .
O7 Zn6 O9 87.4(4) 2_567 .
O9 Zn6 O9 180.000(3) 2_567 .
O7 Zn6 O15 89.2(5) . .
O7 Zn6 O15 90.8(5) 2_567 .
O9 Zn6 O15 93.0(5) 2_567 .
O9 Zn6 O15 86.9(5) . .
O7 Zn6 O15 90.8(5) . 2_567
O7 Zn6 O15 89.2(5) 2_567 2_567
O9 Zn6 O15 87.0(5) 2_567 2_567
O9 Zn6 O15 93.0(5) . 2_567
O15 Zn6 O15 180.000(1) . 2_567
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.352(19) .
C1 N1 1.379(18) .
C1 C7 1.472(18) .
C2 N2 1.369(17) .
C2 C8 1.51(2) .
C3 N2 1.369(18) .
C3 N1 1.374(17) .
C3 C4 1.44(2) .
C4 C36 1.35(2) .
C4 C37 1.46(2) .
C7 O1 1.250(17) .
C7 O2 1.271(16) .
C8 O3 1.270(17) .
C8 O4 1.269(16) .
C12 N3 1.377(17) .
C12 C13 1.40(2) .
C12 C14 1.451(19) .
C13 N4 1.370(17) .
C13 C15 1.50(2) .
C14 O9 1.275(18) .
C14 O8 1.301(17) .
C15 O7 1.242(17) .
C15 O6 1.266(17) .
C16 N4 1.315(18) .
C16 N3 1.354(17) .
C16 C17 1.51(2) .
C17 C18 1.38(2) .
C17 C19 1.37(2) .
C18 C29 1.36(2) .
C19 C32 1.41(2) .
C20 C22 1.34(2) 2_556
C20 N5 1.396(18) .
C20 C21 1.51(2) .
C21 O11 1.252(19) .
C21 O10 1.290(18) .
C22 C20 1.34(2) 2_556
C22 N6 1.392(18) .
C22 C23 1.53(2) .
C23 O23 1.248(18) .
C23 O12 1.260(17) .
C24 N5 1.338(17) 2_556
C24 N6 1.373(18) .
C24 C25 1.42(2) .
C25 C26 1.38(2) .
C25 C27 1.40(2) .
C26 C46 1.44(2) .
C27 C45 1.40(2) .
C28 C32 1.33(2) .
C28 C29 1.34(2) .
C31 O13 1.30(2) .
C32 O13 1.39(2) .
C36 C56 1.40(2) .
C37 C58 1.42(2) .
C43 O21 1.31(3) .
C44 C46 1.29(2) .
C44 C45 1.34(2) .
C45 O21 1.42(2) .
C52 O27 1.24(2) .
C56 C59 1.34(2) .
C58 C59 1.34(2) .
C58 O27 1.39(2) .
N1 Zn3 2.077(10) .
N2 Zn1 2.074(11) .
N3 Zn2 2.069(11) .
N4 Zn1 2.099(11) .
N5 C24 1.338(17) 2_556
N5 Zn3 2.090(10) .
N6 Zn2 2.077(11) .
O1 Zn4 2.050(10) .
O2 Zn3 2.090(9) .
O3 Zn4 2.037(10) .
O4 Zn1 2.107(10) .
O6 Zn1 2.081(10) .
O7 Zn6 2.046(10) .
O8 Zn2 2.109(10) .
O9 Zn6 2.056(10) .
O10 Zn3 2.124(10) .
O11 Zn5 2.040(10) .
O12 Zn2 2.100(11) .
O14 Zn4 2.079(14) .
O15 Zn6 2.103(13) .
O16 Zn3 2.160(11) .
O17 Zn3 2.215(12) .
O18 Zn5 2.088(13) .
O19 Zn1 2.184(12) .
O20 Zn1 2.226(11) .
O23 Zn5 2.036(13) 1_665
O24 Zn2 2.129(12) .
O25 Zn2 2.224(12) .
Zn4 O3 2.037(10) 2_657
Zn4 O1 2.050(11) 2_657
Zn4 O14 2.079(14) 2_657
Zn5 O11 2.040(10) 2_446
Zn5 O23 2.036(13) 1_445
Zn5 O23 2.036(13) 2_556
Zn5 O18 2.088(13) 2_446
Zn6 O7 2.046(10) 2_567
Zn6 O9 2.056(10) 2_567
Zn6 O15 2.103(13) 2_567
