#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:48:51 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180277 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/63/7116330.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_7116330
loop_
_publ_author_name
'Qi Shi'
'Xiaozhen Kang'
'Fa-Nian Shi'
'Jinxiang Dong'
_publ_section_title
;
 Zn10(Im)20^.^4DBF: an unprecedented 10-nodal zeolitic topology with a
 10-MR channel and 10 crystallographically independent Zn atoms
;
_journal_name_full               Chem.Commun.
_journal_page_first              1131
_journal_paper_doi               10.1039/C4cc07105K
_journal_volume                  51
_journal_year                    2015
_chemical_absolute_configuration ad
_chemical_formula_sum            'C96 H136 N44 O4 Zn10'
_chemical_formula_weight         2624.19
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-09-01 deposited with the CCDC.
2014-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5161(2)
_cell_length_b                   30.1575(5)
_cell_length_c                   45.9367(8)
_cell_measurement_reflns_used    9831
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      22.77
_cell_measurement_theta_min      2.52
_cell_volume                     13183.0(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_sigmaI/netI    0.0611
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            71136
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.77
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.844
_exptl_absorpt_correction_T_max  0.8090
_exptl_absorpt_correction_T_min  0.5408
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             5408
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.921
_refine_diff_density_min         -0.491
_refine_diff_density_rms         0.094
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.355(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1493
_refine_ls_number_reflns         23200
_refine_ls_number_restraints     563
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0609P)²+22.8775P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1330
_reflns_number_gt                19413
_reflns_number_total             23200
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc07105k2.cif
_cod_data_source_block           zif1
_cod_database_code               7116330
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 1.33586(8) -0.00355(2) 1.142042(17) 0.03168(18) Uani 1 1 d .
Zn2 Zn 0.84489(9) -0.02926(2) 1.067229(18) 0.03435(19) Uani 1 1 d .
Zn3 Zn 1.08599(8) 0.14231(2) 1.024756(17) 0.03062(18) Uani 1 1 d .
Zn4 Zn 1.08772(8) 0.26259(2) 0.924811(16) 0.02920(17) Uani 1 1 d .
Zn5 Zn 0.84202(8) 0.31689(2) 0.812509(16) 0.02679(16) Uani 1 1 d .
Zn6 Zn 0.49646(8) 0.17173(2) 0.763214(18) 0.03257(18) Uani 1 1 d .
Zn7 Zn -0.00145(8) 0.05440(2) 0.764644(18) 0.03111(18) Uani 1 1 d .
Zn8 Zn -0.07208(8) -0.13154(2) 0.804020(16) 0.02932(17) Uani 1 1 d .
Zn9 Zn 0.42962(8) -0.22942(3) 0.847290(17) 0.03349(19) Uani 1 1 d .
Zn10 Zn 0.34825(11) -0.28162(3) 0.97008(2) 0.0476(2) Uani 1 1 d .
C1 C 1.5850(8) -0.0216(3) 1.10203(15) 0.0422(18) Uani 1 1 d .
H1 H 1.6090 -0.0484 1.1117 0.051 Uiso 1 1 calc R
C2 C 1.5954(12) 0.0334(4) 1.0749(2) 0.085(3) Uani 1 1 d U
H2 H 1.6218 0.0539 1.0602 0.102 Uiso 1 1 calc R
C3 C 1.4860(12) 0.0381(3) 1.0934(2) 0.082(3) Uani 1 1 d U
H3 H 1.4274 0.0636 1.0947 0.098 Uiso 1 1 calc R
C4 C 1.0973(8) -0.0229(2) 1.10444(16) 0.0381(17) Uani 1 1 d .
H4 H 1.1361 -0.0031 1.0905 0.046 Uiso 1 1 calc R
C5 C 0.9540(8) -0.0670(3) 1.12547(19) 0.050(2) Uani 1 1 d U
H5 H 0.8746 -0.0849 1.1299 0.060 Uiso 1 1 calc R
C6 C 1.0695(8) -0.0614(2) 1.14267(18) 0.0455(19) Uani 1 1 d U
H6 H 1.0833 -0.0746 1.1612 0.055 Uiso 1 1 calc R
C7 C 0.9576(7) 0.0589(2) 1.04579(16) 0.0354(17) Uani 1 1 d .
H7 H 0.9033 0.0753 1.0594 0.042 Uiso 1 1 calc R
C8 C 1.1054(11) 0.0427(3) 1.0127(2) 0.072(3) Uani 1 1 d U
H8 H 1.1767 0.0447 0.9983 0.086 Uiso 1 1 calc R
C9 C 1.0427(10) 0.0047(3) 1.0220(2) 0.066(3) Uani 1 1 d U
H9 H 1.0619 -0.0242 1.0148 0.079 Uiso 1 1 calc R
C10 C 1.0903(8) 0.2015(2) 0.97411(15) 0.0337(16) Uani 1 1 d .
H10 H 1.1245 0.2248 0.9861 0.040 Uiso 1 1 calc R
C11 C 1.0240(8) 0.1649(2) 0.93647(16) 0.0407(18) Uani 1 1 d U
H11 H 1.0011 0.1567 0.9171 0.049 Uiso 1 1 calc R
C12 C 1.0197(9) 0.1378(2) 0.96018(17) 0.0459(19) Uani 1 1 d U
H12 H 0.9925 0.1075 0.9600 0.055 Uiso 1 1 calc R
C13 C 0.8328(7) 0.3060(2) 0.95366(14) 0.0291(15) Uani 1 1 d .
H13 H 0.7861 0.2787 0.9572 0.035 Uiso 1 1 calc R
C14 C 0.8731(7) 0.3756(2) 0.95150(15) 0.0359(17) Uani 1 1 d U
H14 H 0.8628 0.4069 0.9532 0.043 Uiso 1 1 calc R
C15 C 0.9865(8) 0.3540(2) 0.93993(16) 0.0386(17) Uani 1 1 d U
H15 H 1.0682 0.3677 0.9321 0.046 Uiso 1 1 calc R
C16 C 1.3419(7) 0.3034(2) 0.95261(15) 0.0314(15) Uani 1 1 d .
H16 H 1.3095 0.2962 0.9716 0.038 Uiso 1 1 calc R
C17 C 1.4659(8) 0.3298(3) 0.91820(16) 0.051(2) Uani 1 1 d U
H17 H 1.5382 0.3445 0.9077 0.061 Uiso 1 1 calc R
C18 C 1.3554(9) 0.3078(3) 0.90621(16) 0.0452(19) Uani 1 1 d U
H18 H 1.3361 0.3051 0.8860 0.054 Uiso 1 1 calc R
C19 C 0.9659(7) 0.2882(2) 0.86892(15) 0.0338(16) Uani 1 1 d .
H19 H 0.9299 0.3139 0.8782 0.041 Uiso 1 1 calc R
C20 C 1.0149(8) 0.2399(2) 0.83634(15) 0.0411(18) Uani 1 1 d U
H20 H 1.0205 0.2241 0.8185 0.049 Uiso 1 1 calc R
C21 C 1.0729(8) 0.2271(2) 0.86227(16) 0.0437(18) Uani 1 1 d U
H21 H 1.1275 0.2012 0.8654 0.052 Uiso 1 1 calc R
C22 C 0.9513(7) 0.3450(2) 0.75406(15) 0.0330(16) Uani 1 1 d .
H22 H 0.8597 0.3526 0.7475 0.040 Uiso 1 1 calc R
C23 C 1.1185(8) 0.3255(3) 0.78137(16) 0.047(2) Uani 1 1 d U
H23 H 1.1717 0.3163 0.7978 0.056 Uiso 1 1 calc R
C24 C 1.1704(8) 0.3361(3) 0.75553(18) 0.049(2) Uani 1 1 d U
H24 H 1.2671 0.3350 0.7505 0.059 Uiso 1 1 calc R
C25 C 0.8315(7) 0.4123(2) 0.83128(15) 0.0314(15) Uani 1 1 d .
H25 H 0.9012 0.4206 0.8175 0.038 Uiso 1 1 calc R
C26 C 0.6824(10) 0.4154(3) 0.8656(2) 0.059(3) Uani 1 1 d U
H26 H 0.6256 0.4256 0.8813 0.071 Uiso 1 1 calc R
C27 C 0.6842(10) 0.3738(3) 0.85453(19) 0.061(3) Uani 1 1 d U
H27 H 0.6263 0.3501 0.8609 0.073 Uiso 1 1 calc R
C28 C 0.6705(7) 0.2434(2) 0.78879(16) 0.0374(17) Uani 1 1 d .
H28 H 0.7516 0.2251 0.7876 0.045 Uiso 1 1 calc R
C29 C 0.5386(8) 0.2986(3) 0.7971(2) 0.056(2) Uani 1 1 d U
H29 H 0.5046 0.3267 0.8031 0.067 Uiso 1 1 calc R
C30 C 0.4577(7) 0.2649(2) 0.7862(2) 0.051(2) Uani 1 1 d U
H30 H 0.3595 0.2662 0.7826 0.061 Uiso 1 1 calc R
C31 C 0.2475(7) 0.1146(2) 0.76232(15) 0.0322(16) Uani 1 1 d .
H31 H 0.2819 0.1008 0.7451 0.039 Uiso 1 1 calc R
C32 C 0.1177(8) 0.1311(3) 0.79892(19) 0.054(2) Uani 1 1 d U
H32 H 0.0427 0.1318 0.8126 0.065 Uiso 1 1 calc R
C33 C 0.2284(8) 0.1585(3) 0.79841(18) 0.044(2) Uani 1 1 d U
H33 H 0.2468 0.1812 0.8123 0.053 Uiso 1 1 calc R
C34 C 0.5314(7) 0.2221(2) 0.70837(16) 0.0384(17) Uani 1 1 d .
H34 H 0.5337 0.2491 0.7190 0.046 Uiso 1 1 calc R
C35 C 0.5287(9) 0.1757(2) 0.67321(17) 0.046(2) Uani 1 1 d U
H35 H 0.5294 0.1630 0.6543 0.055 Uiso 1 1 calc R
C36 C 0.5156(9) 0.1527(2) 0.69823(17) 0.047(2) Uani 1 1 d U
H36 H 0.5059 0.1215 0.6999 0.056 Uiso 1 1 calc R
C37 C 0.7494(7) 0.1133(2) 0.76410(18) 0.0392(18) Uani 1 1 d .
H37 H 0.7924 0.1303 0.7491 0.047 Uiso 1 1 calc R
C38 C 0.6089(10) 0.0930(4) 0.7958(2) 0.085(4) Uani 1 1 d U
H38 H 0.5311 0.0914 0.8087 0.102 Uiso 1 1 calc R
C39 C 0.7174(9) 0.0640(4) 0.7954(2) 0.077(3) Uani 1 1 d U
H39 H 0.7278 0.0387 0.8074 0.092 Uiso 1 1 calc R
C40 C -0.0230(7) -0.0405(2) 0.78291(15) 0.0296(15) Uani 1 1 d .
H40 H -0.0614 -0.0484 0.7645 0.035 Uiso 1 1 calc R
C41 C 0.0419(13) -0.0444(3) 0.8259(2) 0.085(3) Uani 1 1 d U
H41 H 0.0606 -0.0546 0.8451 0.102 Uiso 1 1 calc R
C42 C 0.0648(14) -0.0026(3) 0.8158(2) 0.091(3) Uani 1 1 d U
H42 H 0.1051 0.0209 0.8268 0.109 Uiso 1 1 calc R
C43 C 0.1005(8) 0.0311(3) 0.70426(16) 0.0384(17) Uani 1 1 d .
H43 H 0.1933 0.0251 0.7108 0.046 Uiso 1 1 calc R
C44 C -0.0872(12) 0.0350(4) 0.6775(2) 0.090(4) Uani 1 1 d U
H44 H -0.1515 0.0325 0.6617 0.108 Uiso 1 1 calc R
C45 C -0.1183(13) 0.0472(5) 0.7058(3) 0.094(4) Uani 1 1 d U
H45 H -0.2079 0.0561 0.7127 0.113 Uiso 1 1 calc R
C46 C 0.1813(7) -0.1793(3) 0.82583(16) 0.0410(18) Uani 1 1 d .
H46 H 0.2361 -0.1679 0.8102 0.049 Uiso 1 1 calc R
C47 C 0.0107(12) -0.1921(4) 0.8531(2) 0.091(3) Uani 1 1 d U
H47 H -0.0805 -0.1924 0.8615 0.110 Uiso 1 1 calc R
C48 C 0.1247(9) -0.2150(4) 0.8630(2) 0.079(3) Uani 1 1 d U
H48 H 0.1263 -0.2338 0.8796 0.095 Uiso 1 1 calc R
C49 C -0.3313(8) -0.1795(2) 0.81994(16) 0.0396(17) Uani 1 1 d .
H49 H -0.2966 -0.2054 0.8107 0.048 Uiso 1 1 calc R
C50 C -0.3485(8) -0.1130(3) 0.83504(17) 0.0457(19) Uani 1 1 d U
H50 H -0.3295 -0.0825 0.8387 0.055 Uiso 1 1 calc R
C51 C -0.4612(8) -0.1349(3) 0.84471(18) 0.046(2) Uani 1 1 d U
H51 H -0.5347 -0.1227 0.8562 0.055 Uiso 1 1 calc R
C52 C 0.4073(8) -0.2672(3) 0.90708(17) 0.0432(18) Uani 1 1 d .
H52 H 0.3374 -0.2881 0.9015 0.052 Uiso 1 1 calc R
C53 C 0.5503(11) -0.2281(3) 0.9329(2) 0.076(3) Uani 1 1 d U
H53 H 0.6000 -0.2156 0.9489 0.091 Uiso 1 1 calc R
C54 C 0.5704(10) -0.2174(3) 0.90472(18) 0.063(3) Uani 1 1 d U
H54 H 0.6368 -0.1966 0.8975 0.076 Uiso 1 1 calc R
C55 C 0.0930(13) -0.2405(4) 0.9952(2) 0.078(3) Uani 1 1 d .
H55 H 0.1441 -0.2341 1.0125 0.094 Uiso 1 1 calc R
C56 C 0.0522(15) -0.2699(5) 0.9564(3) 0.113(4) Uani 1 1 d U
H56 H 0.0592 -0.2872 0.9392 0.135 Uiso 1 1 calc R
C57 C -0.0695(16) -0.2557(5) 0.9690(3) 0.116(4) Uani 1 1 d U
H57 H -0.1612 -0.2594 0.9612 0.140 Uiso 1 1 calc R
C58 C 0.3484(10) -0.3768(3) 0.95020(19) 0.053(2) Uani 1 1 d .
H58 H 0.3947 -0.3696 0.9325 0.063 Uiso 1 1 calc R
C59 C 0.2441(19) -0.3694(5) 0.9874(4) 0.138(5) Uani 1 1 d U
H59 H 0.2075 -0.3579 1.0050 0.165 Uiso 1 1 calc R
C60 C 0.2263(19) -0.4128(5) 0.9786(3) 0.135(5) Uani 1 1 d U
H60 H 0.1653 -0.4346 0.9865 0.162 Uiso 1 1 calc R
C61 C -0.0690(11) 0.3672(4) 0.0369(2) 0.077(3) Uani 1 1 d U
H61A H -0.1475 0.3622 0.0507 0.093 Uiso 1 1 calc R
H61B H -0.1078 0.3655 0.0169 0.093 Uiso 1 1 calc R
C62 C -0.0114(17) 0.4126(4) 0.0417(3) 0.114(4) Uani 1 1 d U
H62A H 0.0251 0.4152 0.0618 0.137 Uiso 1 1 calc R
H62B H -0.0868 0.4349 0.0391 0.137 Uiso 1 1 calc R
C63 C 0.1137(19) 0.4217(5) 0.0187(4) 0.139(5) Uani 1 1 d DU
H63A H 0.1942 0.4023 0.0235 0.166 Uiso 1 1 calc R
H63B H 0.0806 0.4134 -0.0010 0.166 Uiso 1 1 calc R
C64 C 0.163(3) 0.4682(6) 0.0181(5) 0.193(7) Uani 1 1 d DU
H64A H 0.0905 0.4870 0.0091 0.290 Uiso 1 1 calc R
H64B H 0.2497 0.4702 0.0067 0.290 Uiso 1 1 calc R
H64C H 0.1805 0.4784 0.0380 0.290 Uiso 1 1 calc R
C65 C 0.112(2) 0.3278(6) 0.0695(3) 0.148(6) Uani 1 1 d DU
H65A H 0.2070 0.3152 0.0659 0.177 Uiso 1 1 calc R
H65B H 0.1247 0.3577 0.0780 0.177 Uiso 1 1 calc R
C66 C 0.040(2) 0.3006(8) 0.0894(5) 0.204(8) Uani 1 1 d DU
H66A H 0.0048 0.2737 0.0794 0.245 Uiso 1 1 calc R
H66B H -0.0422 0.3168 0.0974 0.245 Uiso 1 1 calc R
C67 C 0.145(2) 0.2867(8) 0.1156(4) 0.182(7) Uani 1 1 d DU
H67A H 0.1668 0.2545 0.1162 0.218 Uiso 1 1 calc R
H67B H 0.2326 0.3045 0.1162 0.218 Uiso 1 1 calc R
C68 C 0.040(3) 0.3005(9) 0.1372(5) 0.246(9) Uani 1 1 d DU
H68A H 0.0635 0.2879 0.1563 0.369 Uiso 1 1 calc R
H68B H -0.0533 0.2899 0.1312 0.369 Uiso 1 1 calc R
H68C H 0.0384 0.3329 0.1386 0.369 Uiso 1 1 calc R
C69 C 0.0859(11) 0.3096(3) 0.01820(19) 0.058(2) Uani 1 1 d .
H69 H 0.0502 0.3177 -0.0004 0.069 Uiso 1 1 calc R
C70 C 0.592(2) 0.3550(6) 0.3289(4) 0.165(7) Uani 1 1 d U
H70A H 0.6799 0.3716 0.3331 0.198 Uiso 1 1 calc R
H70B H 0.5249 0.3756 0.3196 0.198 Uiso 1 1 calc R
C71 C 0.6253(19) 0.3152(6) 0.3076(4) 0.138(6) Uani 1 1 d U
H71A H 0.6913 0.3242 0.2920 0.166 Uiso 1 1 calc R
H71B H 0.6650 0.2895 0.3182 0.166 Uiso 1 1 calc R
C72 C 0.485(3) 0.3049(7) 0.2956(5) 0.177(7) Uani 1 1 d U
H72A H 0.4370 0.3332 0.2912 0.212 Uiso 1 1 calc R
H72B H 0.4298 0.2897 0.3109 0.212 Uiso 1 1 calc R
C73 C 0.482(2) 0.2766(6) 0.2687(4) 0.168(7) Uani 1 1 d U
H73A H 0.5081 0.2946 0.2518 0.252 Uiso 1 1 calc R
H73B H 0.3873 0.2646 0.2659 0.252 Uiso 1 1 calc R
H73C H 0.5489 0.2521 0.2708 0.252 Uiso 1 1 calc R
C74 C 0.619(2) 0.3170(7) 0.3771(4) 0.158(6) Uani 1 1 d DU
H74A H 0.6989 0.3013 0.3678 0.190 Uiso 1 1 calc R
H74B H 0.5644 0.2956 0.3888 0.190 Uiso 1 1 calc R
C75 C 0.671(3) 0.3557(7) 0.3958(5) 0.204(8) Uani 1 1 d DU
H75A H 0.7376 0.3735 0.3841 0.244 Uiso 1 1 calc R
H75B H 0.5897 0.3749 0.4005 0.244 Uiso 1 1 calc R
C76 C 0.740(3) 0.3434(9) 0.4229(6) 0.242(9) Uani 1 1 d DU
H76A H 0.8350 0.3321 0.4186 0.290 Uiso 1 1 calc R
H76B H 0.6858 0.3193 0.4324 0.290 Uiso 1 1 calc R
C77 C 0.751(3) 0.3841(8) 0.4445(5) 0.224(9) Uani 1 1 d DU
H77A H 0.8329 0.4022 0.4393 0.336 Uiso 1 1 calc R
H77B H 0.7616 0.3732 0.4644 0.336 Uiso 1 1 calc R
H77C H 0.6657 0.4022 0.4430 0.336 Uiso 1 1 calc R
C78 C 0.3965(16) 0.3446(5) 0.3604(3) 0.120(5) Uani 1 1 d .
H78 H 0.3431 0.3569 0.3448 0.145 Uiso 1 1 calc R
C79 C 0.578(3) 0.9582(9) 0.7516(5) 0.248(10) Uani 1 1 d DU
H79A H 0.6619 0.9733 0.7595 0.297 Uiso 1 1 calc R
H79B H 0.6064 0.9273 0.7473 0.297 Uiso 1 1 calc R
C80 C 0.464(3) 0.9558(12) 0.7776(7) 0.310(12) Uani 1 1 d DU
H80A H 0.5083 0.9437 0.7954 0.373 Uiso 1 1 calc R
H80B H 0.4285 0.9859 0.7821 0.373 Uiso 1 1 calc R
C81 C 0.347(3) 0.9274(10) 0.7687(7) 0.275(11) Uani 1 1 d DU
H81A H 0.2959 0.9384 0.7515 0.330 Uiso 1 1 calc R
H81B H 0.2816 0.9201 0.7848 0.330 Uiso 1 1 calc R
C82 C 0.454(3) 0.8897(11) 0.7618(7) 0.275(11) Uani 1 1 d DU
C83 C 0.4313(19) 0.9551(7) 0.7118(4) 0.174(7) Uani 1 1 d DU
C84 C 0.549(3) 0.9338(9) 0.6884(5) 0.252(9) Uani 1 1 d DU
H84A H 0.5331 0.9015 0.6909 0.302 Uiso 1 1 calc R
H84B H 0.5050 0.9409 0.6694 0.302 Uiso 1 1 calc R
C85 C 0.706(2) 0.9351(8) 0.6807(6) 0.246(9) Uani 1 1 d DU
H85A H 0.7604 0.9192 0.6958 0.295 Uiso 1 1 calc R
H85B H 0.7386 0.9664 0.6804 0.295 Uiso 1 1 calc R
C86 C 0.737(2) 0.9130(8) 0.6496(6) 0.256(11) Uani 1 1 d DU
H86A H 0.7004 0.8826 0.6495 0.384 Uiso 1 1 calc R
H86B H 0.8383 0.9125 0.6461 0.384 Uiso 1 1 calc R
H86C H 0.6903 0.9303 0.6343 0.384 Uiso 1 1 calc R
C87 C 0.5199(14) 1.0248(4) 0.7282(4) 0.125(5) Uani 1 1 d DU
H87 H 0.5757 1.0385 0.7428 0.149 Uiso 1 1 calc R
C88 C 0.699(2) 0.4526(8) 0.0938(5) 0.091(7) Uani 0.50 1 d PDU
H88A H 0.6809 0.4234 0.0846 0.109 Uiso 0.50 1 calc PR
H88B H 0.7539 0.4707 0.0800 0.109 Uiso 0.50 1 calc PR
C89 C 0.558(3) 0.4755(9) 0.0993(7) 0.128(8) Uani 0.50 1 d PDU
H89A H 0.5198 0.4857 0.0804 0.153 Uiso 0.50 1 calc PR
H89B H 0.5746 0.5020 0.1114 0.153 Uiso 0.50 1 calc PR
C90 C 0.447(3) 0.4460(10) 0.1144(7) 0.124(8) Uani 0.50 1 d PDU
H90A H 0.4800 0.4390 0.1343 0.148 Uiso 0.50 1 calc PR
H90B H 0.4395 0.4177 0.1036 0.148 Uiso 0.50 1 calc PR
C91 C 0.299(3) 0.4671(10) 0.1164(6) 0.132(9) Uani 0.50 1 d PDU
H91A H 0.3004 0.4912 0.1307 0.199 Uiso 0.50 1 calc PR
H91B H 0.2309 0.4446 0.1225 0.199 Uiso 0.50 1 calc PR
H91C H 0.2718 0.4789 0.0974 0.199 Uiso 0.50 1 calc PR
C92 C 0.863(3) 0.4824(9) 0.1318(6) 0.123(9) Uani 0.50 1 d PDU
H92A H 0.8682 0.4782 0.1531 0.148 Uiso 0.50 1 calc PR
H92B H 0.8089 0.5099 0.1283 0.148 Uiso 0.50 1 calc PR
C93 C 1.013(3) 0.4904(12) 0.1207(8) 0.169(11) Uani 0.50 1 d PDU
H93A H 1.0604 0.5147 0.1314 0.203 Uiso 0.50 1 calc PR
H93B H 1.0156 0.4966 0.0995 0.203 Uiso 0.50 1 calc PR
C94 C 1.078(3) 0.4448(13) 0.1279(12) 0.257(15) Uani 0.50 1 d PDU
H94A H 1.1788 0.4476 0.1330 0.309 Uiso 0.50 1 calc PR
H94B H 1.0682 0.4240 0.1114 0.309 Uiso 0.50 1 calc PR
C95 C 0.990(6) 0.4291(16) 0.1546(11) 0.295(18) Uani 0.50 1 d PDU
C96 C 0.788(3) 0.4021(7) 0.1314(5) 0.109(10) Uani 0.50 1 d PD
H96 H 0.8470 0.3969 0.1478 0.130 Uiso 0.50 1 calc PR
C97 C 0.168(6) 0.9122(14) 0.9494(7) 0.230(17) Uani 0.50 1 d PDU
H97A H 0.0854 0.9319 0.9498 0.276 Uiso 0.50 1 calc PR
H97B H 0.2507 0.9314 0.9456 0.276 Uiso 0.50 1 calc PR
C98 C 0.187(4) 0.8937(16) 0.9819(8) 0.254(16) Uani 0.50 1 d PDU
H98A H 0.2417 0.9129 0.9952 0.304 Uiso 0.50 1 calc PR
H98B H 0.1009 0.8818 0.9911 0.304 Uiso 0.50 1 calc PR
C99 C 0.274(5) 0.8600(13) 0.9641(11) 0.219(14) Uani 0.50 1 d PDU
H99A H 0.2423 0.8573 0.9437 0.262 Uiso 0.50 1 calc PR
H99B H 0.2795 0.8304 0.9734 0.262 Uiso 0.50 1 calc PR
C100 C 0.412(4) 0.8870(16) 0.9673(11) 0.223(15) Uani 0.50 1 d PDU
H11A H 0.4173 0.9101 0.9523 0.334 Uiso 0.50 1 d PR
H11B H 0.4951 0.8680 0.9661 0.334 Uiso 0.50 1 d PR
H11C H 0.4073 0.9008 0.9865 0.334 Uiso 0.50 1 d PR
C101 C 0.041(4) 0.8522(14) 0.9315(9) 0.232(17) Uani 0.50 1 d PDU
H10A H 0.0721 0.8369 0.9495 0.278 Uiso 0.50 1 calc PR
H10B H 0.0400 0.8296 0.9159 0.278 Uiso 0.50 1 calc PR
C102 C -0.111(5) 0.8670(15) 0.9364(11) 0.218(14) Uani 0.50 1 d PDU
H10C H -0.1220 0.8773 0.9568 0.262 Uiso 0.50 1 calc PR
H10D H -0.1743 0.8412 0.9337 0.262 Uiso 0.50 1 calc PR
C103 C -0.158(5) 0.9044(16) 0.9157(9) 0.209(13) Uani 0.50 1 d PDU
H10E H -0.1384 0.8969 0.8951 0.250 Uiso 0.50 1 calc PR
H10F H -0.1118 0.9329 0.9205 0.250 Uiso 0.50 1 calc PR
C104 C -0.318(5) 0.9055(16) 0.9222(9) 0.198(14) Uani 0.50 1 d PDU
H10G H -0.3561 0.8756 0.9196 0.297 Uiso 0.50 1 d PR
H10H H -0.3663 0.9261 0.9091 0.297 Uiso 0.50 1 d PR
H10I H -0.3306 0.9150 0.9424 0.297 Uiso 0.50 1 d PR
C105 C 0.215(3) 0.8843(8) 0.8956(5) 0.103(8) Uani 0.50 1 d PDU
H105 H 0.2168 0.8571 0.8851 0.123 Uiso 0.50 1 calc PR
N1 N 1.4731(6) 0.00114(19) 1.10947(13) 0.0384(14) Uani 1 1 d .
N2 N 1.6621(7) -0.00592(19) 1.08088(14) 0.0428(15) Uani 1 1 d .
N3 N 1.1627(6) -0.03352(18) 1.12901(13) 0.0339(13) Uani 1 1 d .
N4 N 0.9727(6) -0.04241(18) 1.10093(13) 0.0360(14) Uani 1 1 d .
N5 N 0.9501(6) 0.01429(19) 1.04294(13) 0.0383(15) Uani 1 1 d .
N6 N 1.0493(6) 0.07738(18) 1.02744(13) 0.0358(14) Uani 1 1 d .
N7 N 1.0602(6) 0.16076(17) 0.98400(12) 0.0312(13) Uani 1 1 d .
N8 N 1.0670(6) 0.20577(17) 0.94544(12) 0.0328(13) Uani 1 1 d .
N9 N 0.9622(5) 0.30956(18) 0.94158(12) 0.0307(13) Uani 1 1 d .
N10 N 0.7796(6) 0.34544(19) 0.95996(12) 0.0320(13) Uani 1 1 d .
N11 N 1.2769(6) 0.29035(19) 0.92843(12) 0.0331(13) Uani 1 1 d .
N12 N 1.4560(6) 0.32741(19) 0.94762(12) 0.0335(14) Uani 1 1 d .
N13 N 1.0395(5) 0.25763(18) 0.88266(12) 0.0301(13) Uani 1 1 d .
N14 N 0.9469(6) 0.27954(18) 0.84066(11) 0.0329(13) Uani 1 1 d .
N15 N 0.9764(5) 0.33004(17) 0.78053(11) 0.0277(12) Uani 1 1 d .
N16 N 1.0648(6) 0.34879(17) 0.73716(12) 0.0315(13) Uani 1 1 d .
N17 N 0.7813(6) 0.37114(18) 0.83293(12) 0.0296(13) Uani 1 1 d .
N18 N 0.7778(6) 0.44054(18) 0.85003(13) 0.0336(13) Uani 1 1 d .
N19 N 0.6740(6) 0.28549(18) 0.79786(12) 0.0314(13) Uani 1 1 d .
N20 N 0.5423(5) 0.22954(19) 0.78157(13) 0.0355(14) Uani 1 1 d .
N21 N 0.3101(5) 0.14891(18) 0.77508(13) 0.0315(13) Uani 1 1 d .
N22 N 0.1317(6) 0.10166(18) 0.77614(13) 0.0334(14) Uani 1 1 d .
N23 N 0.5186(6) 0.18237(18) 0.72070(13) 0.0349(13) Uani 1 1 d .
N24 N 0.5409(6) 0.21976(19) 0.67904(13) 0.0389(15) Uani 1 1 d .
N25 N 0.6271(5) 0.12411(19) 0.77541(13) 0.0328(13) Uani 1 1 d .
N26 N 0.8079(6) 0.07768(18) 0.77477(13) 0.0330(14) Uani 1 1 d .
N27 N 0.0220(6) 0.0002(2) 0.78837(13) 0.0400(15) Uani 1 1 d .
N28 N -0.0118(6) -0.06888(18) 0.80399(12) 0.0336(13) Uani 1 1 d .
N29 N -0.0006(6) 0.04420(18) 0.72191(13) 0.0349(13) Uani 1 1 d .
N30 N 0.0618(6) 0.02699(18) 0.67655(13) 0.0369(14) Uani 1 1 d .
N31 N 0.0494(6) -0.16905(19) 0.82940(12) 0.0343(14) Uani 1 1 d .
N32 N 0.2331(6) -0.20678(19) 0.84552(13) 0.0353(14) Uani 1 1 d .
N33 N -0.2646(6) -0.14069(19) 0.81919(13) 0.0358(14) Uani 1 1 d .
N34 N -0.4525(6) -0.1786(2) 0.83506(13) 0.0370(14) Uani 1 1 d .
N35 N 0.4765(6) -0.2421(2) 0.88821(13) 0.0410(15) Uani 1 1 d .
N36 N 0.4465(7) -0.2601(2) 0.93515(13) 0.0491(17) Uani 1 1 d .
N37 N 0.1624(9) -0.2551(2) 0.97282(15) 0.0562(18) Uani 1 1 d .
N38 N -0.0363(9) -0.2344(3) 0.99542(15) 0.062(2) Uani 1 1 d .
N39 N 0.3169(8) -0.3458(2) 0.96878(15) 0.058(2) Uani 1 1 d U
N40 N 0.3166(7) -0.4168(2) 0.95596(15) 0.0470(17) Uani 1 1 d .
N41 N 0.0340(8) 0.3318(3) 0.04058(16) 0.061(2) Uani 1 1 d DU
N42 N 0.5332(11) 0.3380(4) 0.3559(3) 0.098(3) Uani 1 1 d U
N43 N 0.5456(10) 0.9797(3) 0.7231(3) 0.131(5) Uani 1 1 d DU
N44 N 0.781(2) 0.4460(6) 0.1201(4) 0.101(7) Uani 0.50 1 d PD
N45 N 0.153(2) 0.8846(6) 0.9239(4) 0.090(6) Uani 0.50 1 d PD
O1 O 0.1719(7) 0.28054(18) 0.01822(12) 0.0581(15) Uani 1 1 d .
O2 O 0.3361(11) 0.3363(4) 0.3825(2) 0.136(4) Uani 1 1 d U
O3 O 0.4428(8) 1.0462(2) 0.71737(15) 0.0702(19) Uani 1 1 d D
O4 O 0.724(3) 0.3712(8) 0.1214(5) 0.171(11) Uani 0.50 1 d PD
O5 O 0.2629(17) 0.9152(6) 0.8849(4) 0.102(6) Uani 0.50 1 d PD
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
N3 Zn1 N30 119.2(2) . 2_655
N3 Zn1 N1 110.6(2) . .
N30 Zn1 N1 107.6(2) 2_655 .
N3 Zn1 N18 105.0(2) . 4_557
N30 Zn1 N18 109.0(2) 2_655 4_557
N1 Zn1 N18 104.4(2) . 4_557
N40 Zn2 N2 110.3(3) 4_547 1_455
N40 Zn2 N5 108.1(3) 4_547 .
N2 Zn2 N5 112.6(2) 1_455 .
N40 Zn2 N4 109.8(2) 4_547 .
N2 Zn2 N4 111.0(3) 1_455 .
N5 Zn2 N4 104.9(2) . .
N7 Zn3 N6 108.3(2) . .
N7 Zn3 N12 113.5(2) . 4_457
N6 Zn3 N12 107.6(2) . 4_457
N7 Zn3 N10 113.3(2) . 4_557
N6 Zn3 N10 108.7(2) . 4_557
N12 Zn3 N10 105.2(2) 4_457 4_557
N8 Zn4 N11 114.6(2) . .
N8 Zn4 N13 112.3(2) . .
N11 Zn4 N13 108.7(2) . .
N8 Zn4 N9 111.7(2) . .
N11 Zn4 N9 102.1(2) . .
N13 Zn4 N9 106.8(2) . .
N17 Zn5 N19 108.8(2) . .
N17 Zn5 N14 107.9(2) . .
N19 Zn5 N14 110.9(2) . .
N17 Zn5 N15 112.0(2) . .
N19 Zn5 N15 111.4(2) . .
N14 Zn5 N15 105.8(2) . .
N21 Zn6 N25 103.4(2) . .
N21 Zn6 N20 112.7(2) . .
N25 Zn6 N20 112.3(2) . .
N21 Zn6 N23 114.9(2) . .
N25 Zn6 N23 109.1(2) . .
N20 Zn6 N23 104.6(2) . .
N27 Zn7 N22 112.1(2) . .
N27 Zn7 N29 114.6(2) . .
N22 Zn7 N29 111.9(2) . .
N27 Zn7 N26 105.3(2) . 1_455
N22 Zn7 N26 105.4(2) . 1_455
N29 Zn7 N26 106.7(2) . 1_455
N28 Zn8 N33 113.7(2) . .
N28 Zn8 N16 106.0(2) . 3_646
N33 Zn8 N16 109.0(2) . 3_646
N28 Zn8 N31 112.0(2) . .
N33 Zn8 N31 104.6(2) . .
N16 Zn8 N31 111.6(2) 3_646 .
N35 Zn9 N24 113.8(3) . 3_646
N35 Zn9 N34 107.0(3) . 1_655
N24 Zn9 N34 110.3(2) 3_646 1_655
N35 Zn9 N32 108.5(2) . .
N24 Zn9 N32 112.0(2) 3_646 .
N34 Zn9 N32 104.7(2) 1_655 .
N37 Zn10 N39 105.7(3) . .
N37 Zn10 N36 110.4(3) . .
N39 Zn10 N36 111.9(3) . .
N37 Zn10 N38 110.5(3) . 4_547
N39 Zn10 N38 110.4(3) . 4_547
N36 Zn10 N38 107.9(3) . 4_547
N2 C1 N1 117.4(7) . .
N2 C1 H1 121.3 . .
N1 C1 H1 121.3 . .
C3 C2 N2 108.9(8) . .
C3 C2 H2 125.5 . .
N2 C2 H2 125.5 . .
N1 C3 C2 109.1(8) . .
N1 C3 H3 125.4 . .
C2 C3 H3 125.4 . .
N3 C4 N4 114.4(6) . .
N3 C4 H4 122.8 . .
N4 C4 H4 122.8 . .
N4 C5 C6 107.9(6) . .
N4 C5 H5 126.1 . .
C6 C5 H5 126.1 . .
C5 C6 N3 109.4(7) . .
C5 C6 H6 125.3 . .
N3 C6 H6 125.3 . .
N6 C7 N5 112.9(6) . .
N6 C7 H7 123.6 . .
N5 C7 H7 123.6 . .
N6 C8 C9 108.7(7) . .
N6 C8 H8 125.7 . .
C9 C8 H8 125.7 . .
N5 C9 C8 109.4(7) . .
N5 C9 H9 125.3 . .
C8 C9 H9 125.3 . .
N8 C10 N7 112.6(6) . .
N8 C10 H10 123.7 . .
N7 C10 H10 123.7 . .
C12 C11 N8 108.0(6) . .
C12 C11 H11 126.0 . .
N8 C11 H11 126.0 . .
N7 C12 C11 109.4(6) . .
N7 C12 H12 125.3 . .
C11 C12 H12 125.3 . .
N10 C13 N9 111.5(6) . .
N10 C13 H13 124.3 . .
N9 C13 H13 124.3 . .
N10 C14 C15 108.4(6) . .
N10 C14 H14 125.8 . .
C15 C14 H14 125.8 . .
N9 C15 C14 108.2(6) . .
N9 C15 H15 125.9 . .
C14 C15 H15 125.9 . .
N12 C16 N11 113.5(6) . .
N12 C16 H16 123.3 . .
N11 C16 H16 123.3 . .
N12 C17 C18 108.9(6) . .
N12 C17 H17 125.5 . .
C18 C17 H17 125.5 . .
C17 C18 N11 107.9(6) . .
C17 C18 H18 126.1 . .
N11 C18 H18 126.1 . .
N13 C19 N14 113.7(6) . .
N13 C19 H19 123.2 . .
N14 C19 H19 123.2 . .
C21 C20 N14 108.0(6) . .
C21 C20 H20 126.0 . .
N14 C20 H20 126.0 . .
N13 C21 C20 108.5(6) . .
N13 C21 H21 125.7 . .
C20 C21 H21 125.7 . .
N15 C22 N16 114.7(6) . .
N15 C22 H22 122.6 . .
N16 C22 H22 122.6 . .
C24 C23 N15 108.7(7) . .
C24 C23 H23 125.6 . .
N15 C23 H23 125.6 . .
C23 C24 N16 110.3(7) . .
C23 C24 H24 124.9 . .
N16 C24 H24 124.9 . .
N18 C25 N17 115.3(6) . .
N18 C25 H25 122.3 . .
N17 C25 H25 122.3 . .
C27 C26 N18 107.8(7) . .
C27 C26 H26 126.1 . .
N18 C26 H26 126.1 . .
C26 C27 N17 109.8(7) . .
C26 C27 H27 125.1 . .
N17 C27 H27 125.1 . .
N20 C28 N19 113.4(6) . .
N20 C28 H28 123.3 . .
N19 C28 H28 123.3 . .
N19 C29 C30 109.4(7) . .
N19 C29 H29 125.3 . .
C30 C29 H29 125.3 . .
N20 C30 C29 107.9(6) . .
N20 C30 H30 126.0 . .
C29 C30 H30 126.0 . .
N21 C31 N22 112.9(6) . .
N21 C31 H31 123.6 . .
N22 C31 H31 123.6 . .
C33 C32 N22 108.0(6) . .
C33 C32 H32 126.0 . .
N22 C32 H32 126.0 . .
C32 C33 N21 109.4(6) . .
C32 C33 H33 125.3 . .
N21 C33 H33 125.3 . .
N23 C34 N24 112.6(6) . .
N23 C34 H34 123.7 . .
N24 C34 H34 123.7 . .
C36 C35 N24 110.0(6) . .
C36 C35 H35 125.0 . .
N24 C35 H35 125.0 . .
C35 C36 N23 107.8(6) . .
C35 C36 H36 126.1 . .
N23 C36 H36 126.1 . .
N26 C37 N25 115.6(6) . .
N26 C37 H37 122.2 . .
N25 C37 H37 122.2 . .
N25 C38 C39 110.2(8) . .
N25 C38 H38 124.9 . .
C39 C38 H38 124.9 . .
N26 C39 C38 107.6(8) . .
N26 C39 H39 126.2 . .
C38 C39 H39 126.2 . .
N28 C40 N27 116.4(6) . .
N28 C40 H40 121.8 . .
N27 C40 H40 121.8 . .
N28 C41 C42 108.3(9) . .
N28 C41 H41 125.9 . .
C42 C41 H41 125.9 . .
N27 C42 C41 109.5(8) . .
N27 C42 H42 125.3 . .
C41 C42 H42 125.3 . .
N29 C43 N30 114.4(6) . .
N29 C43 H43 122.8 . .
N30 C43 H43 122.8 . .
C45 C44 N30 106.4(9) . .
C45 C44 H44 126.8 . .
N30 C44 H44 126.8 . .
N29 C45 C44 108.8(10) . .
N29 C45 H45 125.6 . .
C44 C45 H45 125.6 . .
N31 C46 N32 115.0(6) . .
N31 C46 H46 122.5 . .
N32 C46 H46 122.5 . .
N31 C47 C48 108.4(9) . .
N31 C47 H47 125.8 . .
C48 C47 H47 125.8 . .
N32 C48 C47 108.7(8) . .
N32 C48 H48 125.6 . .
C47 C48 H48 125.6 . .
N33 C49 N34 113.9(6) . .
N33 C49 H49 123.1 . .
N34 C49 H49 123.1 . .
C51 C50 N33 110.1(7) . .
C51 C50 H50 125.0 . .
N33 C50 H50 125.0 . .
C50 C51 N34 108.4(6) . .
C50 C51 H51 125.8 . .
N34 C51 H51 125.8 . .
N35 C52 N36 113.2(7) . .
N35 C52 H52 123.4 . .
N36 C52 H52 123.4 . .
C54 C53 N36 109.8(8) . .
C54 C53 H53 125.1 . .
N36 C53 H53 125.1 . .
C53 C54 N35 107.7(7) . .
C53 C54 H54 126.1 . .
N35 C54 H54 126.1 . .
N38 C55 N37 124.0(11) . .
N38 C55 H55 118.0 . .
N37 C55 H55 118.0 . .
C57 C56 N37 108.4(12) . .
C57 C56 H56 125.8 . .
N37 C56 H56 125.8 . .
C56 C57 N38 108.5(12) . .
C56 C57 H57 125.8 . .
N38 C57 H57 125.8 . .
N40 C58 N39 119.4(8) . .
N40 C58 H58 120.3 . .
N39 C58 H58 120.3 . .
N39 C59 C60 113.0(13) . .
N39 C59 H59 123.5 . .
C60 C59 H59 123.5 . .
N40 C60 C59 103.4(13) . .
N40 C60 H60 128.3 . .
C59 C60 H60 128.3 . .
N41 C61 C62 114.1(10) . .
N41 C61 H61A 108.7 . .
C62 C61 H61A 108.7 . .
N41 C61 H61B 108.7 . .
C62 C61 H61B 108.7 . .
H61A C61 H61B 107.6 . .
C61 C62 C63 109.2(10) . .
C61 C62 H62A 109.8 . .
C63 C62 H62A 109.8 . .
C61 C62 H62B 109.8 . .
C63 C62 H62B 109.8 . .
H62A C62 H62B 108.3 . .
C64 C63 C62 113.9(15) . .
C64 C63 H63A 108.8 . .
C62 C63 H63A 108.8 . .
C64 C63 H63B 108.8 . .
C62 C63 H63B 108.8 . .
H63A C63 H63B 107.7 . .
C63 C64 H64A 109.5 . .
C63 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C66 C65 N41 111.7(15) . .
C66 C65 H65A 109.3 . .
N41 C65 H65A 109.3 . .
C66 C65 H65B 109.3 . .
N41 C65 H65B 109.3 . .
H65A C65 H65B 107.9 . .
C65 C66 C67 109.1(17) . .
C65 C66 H66A 109.9 . .
C67 C66 H66A 109.9 . .
C65 C66 H66B 109.9 . .
C67 C66 H66B 109.9 . .
H66A C66 H66B 108.3 . .
C68 C67 C66 90.2(17) . .
C68 C67 H67A 113.6 . .
C66 C67 H67A 113.6 . .
C68 C67 H67B 113.6 . .
C66 C67 H67B 113.6 . .
H67A C67 H67B 110.9 . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
O1 C69 N41 128.6(9) . .
O1 C69 H69 115.7 . .
N41 C69 H69 115.7 . .
N42 C70 C71 109.8(13) . .
N42 C70 H70A 109.7 . .
C71 C70 H70A 109.7 . .
N42 C70 H70B 109.7 . .
C71 C70 H70B 109.7 . .
H70A C70 H70B 108.2 . .
C72 C71 C70 102.2(16) . .
C72 C71 H71A 111.3 . .
C70 C71 H71A 111.3 . .
C72 C71 H71B 111.3 . .
C70 C71 H71B 111.3 . .
H71A C71 H71B 109.2 . .
C71 C72 C73 116(2) . .
C71 C72 H72A 108.2 . .
C73 C72 H72A 108.2 . .
C71 C72 H72B 108.2 . .
C73 C72 H72B 108.2 . .
H72A C72 H72B 107.4 . .
C72 C73 H73A 109.5 . .
C72 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
C72 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
N42 C74 C75 103.2(17) . .
N42 C74 H74A 111.1 . .
C75 C74 H74A 111.1 . .
N42 C74 H74B 111.1 . .
C75 C74 H74B 111.1 . .
H74A C74 H74B 109.1 . .
C76 C75 C74 116(2) . .
C76 C75 H75A 108.4 . .
C74 C75 H75A 108.4 . .
C76 C75 H75B 108.4 . .
C74 C75 H75B 108.4 . .
H75A C75 H75B 107.4 . .
C75 C76 C77 112(2) . .
C75 C76 H76A 109.3 . .
C77 C76 H76A 109.3 . .
C75 C76 H76B 109.3 . .
C77 C76 H76B 109.3 . .
H76A C76 H76B 107.9 . .
C76 C77 H77A 109.5 . .
C76 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C76 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
O2 C78 N42 124.6(16) . .
O2 C78 H78 117.7 . .
N42 C78 H78 117.7 . .
N43 C79 C80 122(2) . .
N43 C79 H79A 106.8 . .
C80 C79 H79A 106.8 . .
N43 C79 H79B 106.8 . .
C80 C79 H79B 106.8 . .
H79A C79 H79B 106.7 . .
C81 C80 C79 109(3) . .
C81 C80 H80A 109.8 . .
C79 C80 H80A 109.8 . .
C81 C80 H80B 109.8 . .
C79 C80 H80B 109.8 . .
H80A C80 H80B 108.3 . .
C80 C81 C82 89(2) . .
C80 C81 H81A 113.7 . .
C82 C81 H81A 113.7 . .
C80 C81 H81B 113.8 . .
C82 C81 H81B 113.8 . .
H81A C81 H81B 111.0 . .
N43 C83 C84 85.6(11) . .
C85 C84 C83 141.7(18) . .
C85 C84 H84A 101.6 . .
C83 C84 H84A 101.6 . .
C85 C84 H84B 101.6 . .
C83 C84 H84B 101.6 . .
H84A C84 H84B 104.6 . .
C84 C85 C86 111.7(18) . .
C84 C85 H85A 109.3 . .
C86 C85 H85A 109.3 . .
C84 C85 H85B 109.3 . .
C86 C85 H85B 109.3 . .
H85A C85 H85B 107.9 . .
C85 C86 H86A 109.5 . .
C85 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C85 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
O3 C87 N43 127.6(13) . .
O3 C87 H87 116.2 . .
N43 C87 H87 116.2 . .
N44 C88 C89 114(2) . .
N44 C88 H88A 108.8 . .
C89 C88 H88A 108.8 . .
N44 C88 H88B 108.8 . .
C89 C88 H88B 108.8 . .
H88A C88 H88B 107.7 . .
C88 C89 C90 114(2) . .
C88 C89 H89A 108.7 . .
C90 C89 H89A 108.7 . .
C88 C89 H89B 108.7 . .
C90 C89 H89B 108.7 . .
H89A C89 H89B 107.6 . .
C89 C90 C91 114(2) . .
C89 C90 H90A 108.6 . .
C91 C90 H90A 108.6 . .
C89 C90 H90B 108.7 . .
C91 C90 H90B 108.6 . .
H90A C90 H90B 107.6 . .
C90 C91 H91A 109.5 . .
C90 C91 H91B 109.5 . .
H91A C91 H91B 109.5 . .
C90 C91 H91C 109.5 . .
H91A C91 H91C 109.5 . .
H91B C91 H91C 109.5 . .
N44 C92 C93 120(3) . .
N44 C92 H92A 107.4 . .
C93 C92 H92A 107.4 . .
N44 C92 H92B 107.4 . .
C93 C92 H92B 107.4 . .
H92A C92 H92B 106.9 . .
C92 C93 C94 99.2(18) . .
C92 C93 H93A 111.9 . .
C94 C93 H93A 111.9 . .
C92 C93 H93B 111.9 . .
C94 C93 H93B 111.9 . .
H93A C93 H93B 109.6 . .
C93 C94 C95 103.1(17) . .
C93 C94 H94A 111.1 . .
C95 C94 H94A 111.1 . .
C93 C94 H94B 111.1 . .
C95 C94 H94B 111.1 . .
H94A C94 H94B 109.1 . .
O4 C96 N44 124(3) . .
O4 C96 H96 118.2 . .
N44 C96 H96 118.2 . .
N45 C97 C98 124(3) . .
N45 C97 C99 83(3) . .
C98 C97 C99 49.6(16) . .
N45 C97 H97A 106.2 . .
C98 C97 H97A 106.2 . .
C99 C97 H97A 151.0 . .
N45 C97 H97B 106.2 . .
C98 C97 H97B 106.2 . .
C99 C97 H97B 97.1 . .
H97A C97 H97B 106.4 . .
C99 C98 C97 78(3) . .
C99 C98 H98A 115.5 . .
C97 C98 H98A 115.5 . .
C99 C98 H98B 115.5 . .
C97 C98 H98B 115.5 . .
H98A C98 H98B 112.5 . .
C98 C99 C100 93.4(15) . .
C98 C99 C97 52.2(17) . .
C100 C99 C97 93(3) . .
C98 C99 H99A 113.0 . .
C100 C99 H99A 113.0 . .
C97 C99 H99A 65.6 . .
C98 C99 H99B 113.0 . .
C100 C99 H99B 113.0 . .
C97 C99 H99B 152.3 . .
H99A C99 H99B 110.4 . .
C99 C100 H11A 110.8 . .
C99 C100 H11B 111.8 . .
H11A C100 H11B 109.5 . .
C99 C100 H11C 105.7 . .
H11A C100 H11C 109.5 . .
H11B C100 H11C 109.5 . .
N45 C101 C102 121(4) . .
N45 C101 H10A 107.0 . .
C102 C101 H10A 107.0 . .
N45 C101 H10B 107.0 . .
C102 C101 H10B 107.0 . .
H10A C101 H10B 106.8 . .
C101 C102 C103 113(4) . .
C101 C102 H10C 109.0 . .
C103 C102 H10C 109.0 . .
C101 C102 H10D 109.0 . .
C103 C102 H10D 109.0 . .
H10C C102 H10D 107.8 . .
C102 C103 C104 100(4) . .
C102 C103 H10E 111.7 . .
C104 C103 H10E 111.8 . .
C102 C103 H10F 111.7 . .
C104 C103 H10F 111.7 . .
H10E C103 H10F 109.5 . .
C103 C104 H10G 109.0 . .
C103 C104 H10H 111.1 . .
H10G C104 H10H 109.5 . .
C103 C104 H10I 108.2 . .
H10G C104 H10I 109.5 . .
H10H C104 H10I 109.5 . .
O5 C105 N45 123(2) . .
O5 C105 H105 118.4 . .
N45 C105 H105 118.4 . .
C1 N1 C3 102.5(7) . .
C1 N1 Zn1 133.7(5) . .
C3 N1 Zn1 122.2(6) . .
C1 N2 C2 101.6(7) . .
C1 N2 Zn2 126.9(5) . 1_655
C2 N2 Zn2 130.6(6) . 1_655
C4 N3 C6 103.5(6) . .
C4 N3 Zn1 122.6(5) . .
C6 N3 Zn1 132.9(5) . .
C4 N4 C5 104.8(6) . .
C4 N4 Zn2 123.0(5) . .
C5 N4 Zn2 131.8(5) . .
C9 N5 C7 104.5(6) . .
C9 N5 Zn2 126.2(5) . .
C7 N5 Zn2 128.8(5) . .
C7 N6 C8 104.5(6) . .
C7 N6 Zn3 124.4(5) . .
C8 N6 Zn3 131.1(5) . .
C10 N7 C12 104.8(6) . .
C10 N7 Zn3 123.7(5) . .
C12 N7 Zn3 131.4(5) . .
C10 N8 C11 105.0(6) . .
C10 N8 Zn4 122.6(5) . .
C11 N8 Zn4 132.3(5) . .
C13 N9 C15 104.7(6) . .
C13 N9 Zn4 130.0(5) . .
C15 N9 Zn4 124.9(5) . .
C13 N10 C14 107.2(6) . .
C13 N10 Zn3 126.4(5) . 4_457
C14 N10 Zn3 126.2(5) . 4_457
C16 N11 C18 104.8(6) . .
C16 N11 Zn4 127.8(5) . .
C18 N11 Zn4 126.3(5) . .
C16 N12 C17 104.9(6) . .
C16 N12 Zn3 130.5(5) . 4_557
C17 N12 Zn3 124.5(5) . 4_557
C19 N13 C21 105.6(6) . .
C19 N13 Zn4 122.3(5) . .
C21 N13 Zn4 132.1(5) . .
C19 N14 C20 104.2(6) . .
C19 N14 Zn5 126.2(5) . .
C20 N14 Zn5 129.5(5) . .
C22 N15 C23 103.9(6) . .
C22 N15 Zn5 129.3(4) . .
C23 N15 Zn5 126.8(5) . .
C22 N16 C24 102.2(6) . .
C22 N16 Zn8 127.5(5) . 3_656
C24 N16 Zn8 130.3(5) . 3_656
C25 N17 C27 103.3(6) . .
C25 N17 Zn5 129.9(5) . .
C27 N17 Zn5 126.6(5) . .
C25 N18 C26 103.8(6) . .
C25 N18 Zn1 128.6(5) . 4_457
C26 N18 Zn1 127.2(5) . 4_457
C28 N19 C29 104.2(6) . .
C28 N19 Zn5 125.6(5) . .
C29 N19 Zn5 130.0(5) . .
C28 N20 C30 105.0(6) . .
C28 N20 Zn6 125.6(5) . .
C30 N20 Zn6 129.0(4) . .
C31 N21 C33 105.0(6) . .
C31 N21 Zn6 123.4(5) . .
C33 N21 Zn6 131.1(5) . .
C31 N22 C32 104.7(6) . .
C31 N22 Zn7 127.9(5) . .
C32 N22 Zn7 127.2(5) . .
C34 N23 C36 105.6(6) . .
C34 N23 Zn6 124.9(5) . .
C36 N23 Zn6 129.3(5) . .
C34 N24 C35 103.9(6) . .
C34 N24 Zn9 125.5(5) . 3_656
C35 N24 Zn9 130.6(5) . 3_656
C37 N25 C38 102.5(6) . .
C37 N25 Zn6 128.5(5) . .
C38 N25 Zn6 128.8(5) . .
C37 N26 C39 104.1(6) . .
C37 N26 Zn7 126.0(5) . 1_655
C39 N26 Zn7 129.6(5) . 1_655
C40 N27 C42 102.7(7) . .
C40 N27 Zn7 128.7(5) . .
C42 N27 Zn7 127.6(6) . .
C40 N28 C41 103.1(6) . .
C40 N28 Zn8 127.5(5) . .
C41 N28 Zn8 129.3(6) . .
C43 N29 C45 106.8(7) . .
C43 N29 Zn7 131.0(5) . .
C45 N29 Zn7 122.0(6) . .
C43 N30 C44 103.3(7) . .
C43 N30 Zn1 131.2(5) . 2_654
C44 N30 Zn1 124.4(6) . 2_654
C46 N31 C47 104.1(7) . .
C46 N31 Zn8 128.3(5) . .
C47 N31 Zn8 127.5(6) . .
C46 N32 C48 103.9(6) . .
C46 N32 Zn9 126.4(5) . .
C48 N32 Zn9 129.8(5) . .
C49 N33 C50 104.2(6) . .
C49 N33 Zn8 125.0(5) . .
C50 N33 Zn8 130.0(5) . .
C49 N34 C51 103.5(6) . .
C49 N34 Zn9 128.0(5) . 1_455
C51 N34 Zn9 127.5(5) . 1_455
C52 N35 C54 105.6(6) . .
C52 N35 Zn9 128.5(5) . .
C54 N35 Zn9 124.3(5) . .
C52 N36 C53 103.6(7) . .
C52 N36 Zn10 126.3(5) . .
C53 N36 Zn10 129.0(6) . .
C55 N37 C56 99.1(10) . .
C55 N37 Zn10 130.7(7) . .
C56 N37 Zn10 121.8(7) . .
C55 N38 C57 98.5(10) . .
C55 N38 Zn10 126.0(7) . 4_447
C57 N38 Zn10 132.4(9) . 4_447
C58 N39 C59 99.1(9) . .
C58 N39 Zn10 134.0(6) . .
C59 N39 Zn10 126.7(8) . .
C58 N40 C60 103.0(9) . .
C58 N40 Zn2 129.9(6) . 4_447
C60 N40 Zn2 125.3(8) . 4_447
C69 N41 C61 122.1(8) . .
C69 N41 C65 116.9(10) . .
C61 N41 C65 119.2(9) . .
C78 N42 C74 121.7(14) . .
C78 N42 C70 117.1(15) . .
C74 N42 C70 121.1(14) . .
C87 N43 C83 115.8(12) . .
C87 N43 C79 108.0(17) . .
C83 N43 C79 104.6(16) . .
C96 N44 C92 123(2) . .
C96 N44 C88 117(2) . .
C92 N44 C88 120(2) . .
C105 N45 C97 134(3) . .
C105 N45 C101 120(2) . .
C97 N45 C101 105(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N3 1.973(6) .
Zn1 N30 1.990(6) 2_655
Zn1 N1 1.991(6) .
Zn1 N18 2.012(5) 4_557
Zn2 N40 1.962(6) 4_547
Zn2 N2 1.978(6) 1_455
Zn2 N5 1.993(6) .
Zn2 N4 2.008(6) .
Zn3 N7 1.969(6) .
Zn3 N6 1.993(6) .
Zn3 N12 1.993(6) 4_457
Zn3 N10 2.006(6) 4_557
Zn4 N8 1.968(5) .
Zn4 N11 1.993(6) .
Zn4 N13 1.995(5) .
Zn4 N9 2.007(6) .
Zn5 N17 1.972(6) .
Zn5 N19 1.976(6) .
Zn5 N14 1.984(5) .
Zn5 N15 1.988(5) .
Zn6 N21 1.979(5) .
Zn6 N25 1.981(5) .
Zn6 N20 1.985(6) .
Zn6 N23 1.991(6) .
Zn7 N27 1.977(6) .
Zn7 N22 1.979(6) .
Zn7 N29 1.987(6) .
Zn7 N26 2.000(6) 1_455
Zn8 N28 1.975(5) .
Zn8 N33 1.979(6) .
Zn8 N16 1.984(6) 3_646
Zn8 N31 1.994(6) .
Zn9 N35 1.969(6) .
Zn9 N24 1.972(6) 3_646
Zn9 N34 1.980(6) 1_655
Zn9 N32 1.992(6) .
Zn10 N37 1.946(8) .
Zn10 N39 1.958(7) .
Zn10 N36 1.967(6) .
Zn10 N38 1.988(8) 4_547
C1 N2 1.307(9) .
C1 N1 1.312(9) .
C1 H1 0.9500 .
C2 C3 1.349(13) .
C2 N2 1.373(11) .
C2 H2 0.9500 .
C3 N1 1.344(10) .
C3 H3 0.9500 .
C4 N3 1.328(9) .
C4 N4 1.333(9) .
C4 H4 0.9500 .
C5 N4 1.361(10) .
C5 C6 1.364(11) .
C5 H5 0.9500 .
C6 N3 1.373(9) .
C6 H6 0.9500 .
C7 N6 1.336(9) .
C7 N5 1.353(9) .
C7 H7 0.9500 .
C8 N6 1.354(10) .
C8 C9 1.363(11) .
C8 H8 0.9500 .
C9 N5 1.335(10) .
C9 H9 0.9500 .
C10 N8 1.342(9) .
C10 N7 1.341(8) .
C10 H10 0.9500 .
C11 C12 1.361(10) .
C11 N8 1.363(9) .
C11 H11 0.9500 .
C12 N7 1.351(9) .
C12 H12 0.9500 .
C13 N10 1.324(9) .
C13 N9 1.355(8) .
C13 H13 0.9500 .
C14 N10 1.331(9) .
C14 C15 1.368(10) .
C14 H14 0.9500 .
C15 N9 1.363(8) .
C15 H15 0.9500 .
C16 N12 1.325(9) .
C16 N11 1.331(9) .
C16 H16 0.9500 .
C17 N12 1.357(9) .
C17 C18 1.359(11) .
C17 H17 0.9500 .
C18 N11 1.370(9) .
C18 H18 0.9500 .
C19 N13 1.318(8) .
C19 N14 1.336(9) .
C19 H19 0.9500 .
C20 C21 1.368(10) .
C20 N14 1.375(8) .
C20 H20 0.9500 .
C21 N13 1.351(9) .
C21 H21 0.9500 .
C22 N15 1.319(9) .
C22 N16 1.335(8) .
C22 H22 0.9500 .
C23 C24 1.325(10) .
C23 N15 1.359(9) .
C23 H23 0.9500 .
C24 N16 1.367(9) .
C24 H24 0.9500 .
C25 N18 1.315(8) .
C25 N17 1.331(8) .
C25 H25 0.9500 .
C26 C27 1.354(11) .
C26 N18 1.382(10) .
C26 H26 0.9500 .
C27 N17 1.358(9) .
C27 H27 0.9500 .
C28 N20 1.331(9) .
C28 N19 1.338(8) .
C28 H28 0.9500 .
C29 N19 1.348(9) .
C29 C30 1.367(11) .
C29 H29 0.9500 .
C30 N20 1.354(9) .
C30 H30 0.9500 .
C31 N21 1.329(9) .
C31 N22 1.331(8) .
C31 H31 0.9500 .
C32 C33 1.340(10) .
C32 N22 1.378(9) .
C32 H32 0.9500 .
C33 N21 1.356(9) .
C33 H33 0.9500 .
C34 N23 1.330(9) .
C34 N24 1.352(9) .
C34 H34 0.9500 .
C35 C36 1.348(11) .
C35 N24 1.360(9) .
C35 H35 0.9500 .
C36 N23 1.365(9) .
C36 H36 0.9500 .
C37 N26 1.306(9) .
C37 N25 1.315(8) .
C37 H37 0.9500 .
C38 N25 1.337(11) .
C38 C39 1.352(13) .
C38 H38 0.9500 .
C39 N26 1.344(10) .
C39 H39 0.9500 .
C40 N28 1.298(8) .
C40 N27 1.323(8) .
C40 H40 0.9500 .
C41 N28 1.350(11) .
C41 C42 1.360(13) .
C41 H41 0.9500 .
C42 N27 1.328(11) .
C42 H42 0.9500 .
C43 N29 1.319(9) .
C43 N30 1.331(9) .
C43 H43 0.9500 .
C44 C45 1.385(14) .
C44 N30 1.438(12) .
C44 H44 0.9500 .
C45 N29 1.345(12) .
C45 H45 0.9500 .
C46 N31 1.303(9) .
C46 N32 1.322(9) .
C46 H46 0.9500 .
C47 N31 1.341(11) .
C47 C48 1.365(13) .
C47 H47 0.9500 .
C48 N32 1.330(10) .
C48 H48 0.9500 .
C49 N33 1.331(9) .
C49 N34 1.347(9) .
C49 H49 0.9500 .
C50 C51 1.336(10) .
C50 N33 1.367(9) .
C50 H50 0.9500 .
C51 N34 1.393(9) .
C51 H51 0.9500 .
C52 N35 1.327(9) .
C52 N36 1.359(9) .
C52 H52 0.9500 .
C53 C54 1.349(12) .
C53 N36 1.386(11) .
C53 H53 0.9500 .
C54 N35 1.389(10) .
C54 H54 0.9500 .
C55 N38 1.244(13) .
C55 N37 1.299(12) .
C55 H55 0.9500 .
C56 C57 1.363(18) .
C56 N37 1.366(15) .
C56 H56 0.9500 .
C57 N38 1.410(15) .
C57 H57 0.9500 .
C58 N40 1.273(9) .
C58 N39 1.301(10) .
C58 H58 0.9500 .
C59 N39 1.311(15) .
C59 C60 1.380(19) .
C59 H59 0.9500 .
C60 N40 1.355(15) .
C60 H60 0.9500 .
C61 N41 1.459(12) .
C61 C62 1.493(16) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C62 C63 1.62(2) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C63 C64 1.480(15) .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 C66 1.412(16) .
C65 N41 1.527(14) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 C67 1.624(17) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 C68 1.474(17) .
C67 H67A 0.9900 .
C67 H67B 0.9900 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 O1 1.198(11) .
C69 N41 1.323(11) .
C69 H69 0.9500 .
C70 N42 1.455(18) .
C70 C71 1.58(2) .
C70 H70A 0.9900 .
C70 H70B 0.9900 .
C71 C72 1.48(2) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 C73 1.50(2) .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
C74 N42 1.42(2) .
C74 C75 1.532(16) .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
C75 C76 1.452(17) .
C75 H75A 0.9900 .
C75 H75B 0.9900 .
C76 C77 1.581(18) .
C76 H76A 0.9900 .
C76 H76B 0.9900 .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
C78 O2 1.195(14) .
C78 N42 1.332(17) .
C78 H78 0.9500 .
C79 N43 1.494(17) .
C79 C80 1.617(18) .
C79 H79A 0.9900 .
C79 H79B 0.9900 .
C80 C81 1.460(19) .
C80 H80A 0.9900 .
C80 H80B 0.9900 .
C81 C82 1.560(19) .
C81 H81A 0.9900 .
C81 H81B 0.9900 .
C83 N43 1.414(15) .
C83 C84 1.680(17) .
C84 C85 1.541(17) .
C84 H84A 0.9900 .
C84 H84B 0.9900 .
C85 C86 1.602(18) .
C85 H85A 0.9900 .
C85 H85B 0.9900 .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 O3 1.095(12) .
C87 N43 1.403(13) .
C87 H87 0.9500 .
C88 N44 1.452(17) .
C88 C89 1.524(18) .
C88 H88A 0.9900 .
C88 H88B 0.9900 .
C89 C90 1.546(18) .
C89 H89A 0.9900 .
C89 H89B 0.9900 .
C90 C91 1.549(19) .
C90 H90A 0.9900 .
C90 H90B 0.9900 .
C91 H91A 0.9800 .
C91 H91B 0.9800 .
C91 H91C 0.9800 .
C92 N44 1.449(18) .
C92 C93 1.540(19) .
C92 H92A 0.9900 .
C92 H92B 0.9900 .
C93 C94 1.54(2) .
C93 H93A 0.9900 .
C93 H93B 0.9900 .
C94 C95 1.56(2) .
C94 H94A 0.9900 .
C94 H94B 0.9900 .
C96 O4 1.205(17) .
C96 N44 1.424(18) .
C96 H96 0.9500 .
C97 N45 1.44(2) .
C97 C98 1.60(2) .
C97 C99 1.99(7) .
C97 H97A 0.9900 .
C97 H97B 0.9900 .
C98 C99 1.55(2) .
C98 H98A 0.9900 .
C98 H98B 0.9900 .
C99 C100 1.55(2) .
C99 H99A 0.9900 .
C99 H99B 0.9900 .
C100 H11A 0.9800 .
C100 H11B 0.9800 .
C100 H11C 0.9800 .
C101 N45 1.482(19) .
C101 C102 1.54(2) .
C101 H10A 0.9900 .
C101 H10B 0.9900 .
C102 C103 1.54(2) .
C102 H10C 0.9900 .
C102 H10D 0.9900 .
C103 C104 1.55(2) .
C103 H10E 0.9900 .
C103 H10F 0.9900 .
C104 H10G 0.9800 .
C104 H10H 0.9800 .
C104 H10I 0.9801 .
C105 O5 1.148(17) .
C105 N45 1.432(17) .
C105 H105 0.9500 .
N2 Zn2 1.978(6) 1_655
N10 Zn3 2.006(6) 4_457
N12 Zn3 1.993(6) 4_557
N16 Zn8 1.984(6) 3_656
N18 Zn1 2.012(5) 4_457
N24 Zn9 1.972(6) 3_656
N26 Zn7 2.000(6) 1_655
N30 Zn1 1.990(6) 2_654
N34 Zn9 1.980(6) 1_455
N38 Zn10 1.988(8) 4_447
N40 Zn2 1.962(6) 4_447
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
N2 C2 C3 N1 -5.1(14) . .
N4 C5 C6 N3 -0.6(9) . .
N6 C8 C9 N5 -1.5(13) . .
N8 C11 C12 N7 -0.4(9) . .
N10 C14 C15 N9 -0.5(8) . .
N12 C17 C18 N11 -1.6(10) . .
N14 C20 C21 N13 1.3(9) . .
N15 C23 C24 N16 1.3(10) . .
N18 C26 C27 N17 1.9(12) . .
N19 C29 C30 N20 3.2(11) . .
N22 C32 C33 N21 2.9(10) . .
N24 C35 C36 N23 0.3(10) . .
N25 C38 C39 N26 1.5(14) . .
N28 C41 C42 N27 2.2(15) . .
N30 C44 C45 N29 -3.8(15) . .
N31 C47 C48 N32 -0.6(14) . .
N33 C50 C51 N34 0.0(10) . .
N36 C53 C54 N35 1.1(12) . .
N37 C56 C57 N38 -5.1(17) . .
N39 C59 C60 N40 12(2) . .
N41 C61 C62 C63 60.2(15) . .
C61 C62 C63 C64 170.3(16) . .
N41 C65 C66 C67 164.5(15) . .
C65 C66 C67 C68 130(2) . .
N42 C70 C71 C72 79(2) . .
C70 C71 C72 C73 164.4(16) . .
N42 C74 C75 C76 168(2) . .
C74 C75 C76 C77 -164(2) . .
N43 C79 C80 C81 66(4) . .
C79 C80 C81 C82 54(3) . .
N43 C83 C84 C85 2(4) . .
C83 C84 C85 C86 -167(3) . .
N44 C88 C89 C90 -73(3) . .
C88 C89 C90 C91 -173(3) . .
N44 C92 C93 C94 -57(3) . .
C92 C93 C94 C95 -29(4) . .
N45 C97 C98 C99 38(5) . .
C97 C98 C99 C100 91(4) . .
N45 C97 C99 C98 -149(4) . .
N45 C97 C99 C100 118(3) . .
C98 C97 C99 C100 -92(3) . .
N45 C101 C102 C103 37(6) . .
C101 C102 C103 C104 170(4) . .
N2 C1 N1 C3 -6.7(10) . .
N2 C1 N1 Zn1 -171.7(5) . .
C2 C3 N1 C1 6.8(12) . .
C2 C3 N1 Zn1 174.1(8) . .
N3 Zn1 N1 C1 -99.9(8) . .
N30 Zn1 N1 C1 31.9(8) 2_655 .
N18 Zn1 N1 C1 147.7(7) 4_557 .
N3 Zn1 N1 C3 97.4(8) . .
N30 Zn1 N1 C3 -130.8(8) 2_655 .
N18 Zn1 N1 C3 -15.1(8) 4_557 .
N1 C1 N2 C2 3.6(11) . .
N1 C1 N2 Zn2 173.9(5) . 1_655
C3 C2 N2 C1 1.1(12) . .
C3 C2 N2 Zn2 -168.6(8) . 1_655
N4 C4 N3 C6 -1.6(9) . .
N4 C4 N3 Zn1 -171.7(5) . .
C5 C6 N3 C4 1.3(9) . .
C5 C6 N3 Zn1 169.9(5) . .
N30 Zn1 N3 C4 -172.4(5) 2_655 .
N1 Zn1 N3 C4 -46.9(6) . .
N18 Zn1 N3 C4 65.2(6) 4_557 .
N30 Zn1 N3 C6 20.8(8) 2_655 .
N1 Zn1 N3 C6 146.3(7) . .
N18 Zn1 N3 C6 -101.6(7) 4_557 .
N3 C4 N4 C5 1.3(9) . .
N3 C4 N4 Zn2 175.6(5) . .
C6 C5 N4 C4 -0.4(9) . .
C6 C5 N4 Zn2 -174.0(5) . .
N40 Zn2 N4 C4 117.8(6) 4_547 .
N2 Zn2 N4 C4 -120.0(6) 1_455 .
N5 Zn2 N4 C4 1.9(6) . .
N40 Zn2 N4 C5 -69.5(8) 4_547 .
N2 Zn2 N4 C5 52.6(7) 1_455 .
N5 Zn2 N4 C5 174.5(7) . .
C8 C9 N5 C7 0.5(11) . .
C8 C9 N5 Zn2 -172.7(7) . .
N6 C7 N5 C9 0.7(9) . .
N6 C7 N5 Zn2 173.7(5) . .
N40 Zn2 N5 C9 -30.0(8) 4_547 .
N2 Zn2 N5 C9 -152.1(7) 1_455 .
N4 Zn2 N5 C9 87.0(8) . .
N40 Zn2 N5 C7 158.4(6) 4_547 .
N2 Zn2 N5 C7 36.3(7) 1_455 .
N4 Zn2 N5 C7 -84.5(6) . .
N5 C7 N6 C8 -1.6(9) . .
N5 C7 N6 Zn3 178.8(5) . .
C9 C8 N6 C7 1.9(11) . .
C9 C8 N6 Zn3 -178.6(7) . .
N7 Zn3 N6 C7 -125.9(6) . .
N12 Zn3 N6 C7 -2.9(6) 4_457 .
N10 Zn3 N6 C7 110.6(6) 4_557 .
N7 Zn3 N6 C8 54.6(9) . .
N12 Zn3 N6 C8 177.6(8) 4_457 .
N10 Zn3 N6 C8 -68.9(9) 4_557 .
N8 C10 N7 C12 1.9(8) . .
N8 C10 N7 Zn3 178.5(4) . .
C11 C12 N7 C10 -0.8(9) . .
C11 C12 N7 Zn3 -177.1(5) . .
N6 Zn3 N7 C10 -173.1(5) . .
N12 Zn3 N7 C10 67.5(6) 4_457 .
N10 Zn3 N7 C10 -52.4(6) 4_557 .
N6 Zn3 N7 C12 2.6(7) . .
N12 Zn3 N7 C12 -116.8(7) 4_457 .
N10 Zn3 N7 C12 123.3(7) 4_557 .
N7 C10 N8 C11 -2.1(8) . .
N7 C10 N8 Zn4 175.4(5) . .
C12 C11 N8 C10 1.5(8) . .
C12 C11 N8 Zn4 -175.7(5) . .
N11 Zn4 N8 C10 57.1(6) . .
N13 Zn4 N8 C10 -178.3(5) . .
N9 Zn4 N8 C10 -58.4(6) . .
N11 Zn4 N8 C11 -126.1(6) . .
N13 Zn4 N8 C11 -1.5(7) . .
N9 Zn4 N8 C11 118.4(7) . .
N10 C13 N9 C15 -1.5(7) . .
N10 C13 N9 Zn4 -174.7(4) . .
C14 C15 N9 C13 1.2(8) . .
C14 C15 N9 Zn4 174.8(5) . .
N8 Zn4 N9 C13 -33.3(6) . .
N11 Zn4 N9 C13 -156.3(5) . .
N13 Zn4 N9 C13 89.8(6) . .
N8 Zn4 N9 C15 154.7(5) . .
N11 Zn4 N9 C15 31.8(6) . .
N13 Zn4 N9 C15 -82.2(6) . .
N9 C13 N10 C14 1.2(8) . .
N9 C13 N10 Zn3 175.0(4) . 4_457
C15 C14 N10 C13 -0.4(8) . .
C15 C14 N10 Zn3 -174.2(5) . 4_457
N12 C16 N11 C18 -0.6(8) . .
N12 C16 N11 Zn4 -169.2(5) . .
C17 C18 N11 C16 1.3(9) . .
C17 C18 N11 Zn4 170.1(6) . .
N8 Zn4 N11 C16 -60.6(6) . .
N13 Zn4 N11 C16 173.0(6) . .
N9 Zn4 N11 C16 60.4(6) . .
N8 Zn4 N11 C18 133.2(6) . .
N13 Zn4 N11 C18 6.7(7) . .
N9 Zn4 N11 C18 -105.8(6) . .
N11 C16 N12 C17 -0.3(8) . .
N11 C16 N12 Zn3 176.5(5) . 4_557
C18 C17 N12 C16 1.2(9) . .
C18 C17 N12 Zn3 -175.9(5) . 4_557
N14 C19 N13 C21 0.8(8) . .
N14 C19 N13 Zn4 178.6(4) . .
C20 C21 N13 C19 -1.3(9) . .
C20 C21 N13 Zn4 -178.8(5) . .
N8 Zn4 N13 C19 138.2(5) . .
N11 Zn4 N13 C19 -94.0(5) . .
N9 Zn4 N13 C19 15.5(6) . .
N8 Zn4 N13 C21 -44.6(7) . .
N11 Zn4 N13 C21 83.2(7) . .
N9 Zn4 N13 C21 -167.4(6) . .
N13 C19 N14 C20 0.0(8) . .
N13 C19 N14 Zn5 179.8(5) . .
C21 C20 N14 C19 -0.8(8) . .
C21 C20 N14 Zn5 179.5(5) . .
N17 Zn5 N14 C19 3.7(6) . .
N19 Zn5 N14 C19 -115.4(6) . .
N15 Zn5 N14 C19 123.7(6) . .
N17 Zn5 N14 C20 -176.6(6) . .
N19 Zn5 N14 C20 64.3(7) . .
N15 Zn5 N14 C20 -56.6(7) . .
N16 C22 N15 C23 2.8(8) . .
N16 C22 N15 Zn5 -177.4(4) . .
C24 C23 N15 C22 -2.4(9) . .
C24 C23 N15 Zn5 177.8(5) . .
N17 Zn5 N15 C22 -79.1(6) . .
N19 Zn5 N15 C22 43.0(6) . .
N14 Zn5 N15 C22 163.6(6) . .
N17 Zn5 N15 C23 100.6(7) . .
N19 Zn5 N15 C23 -137.3(6) . .
N14 Zn5 N15 C23 -16.7(7) . .
N15 C22 N16 C24 -2.0(8) . .
N15 C22 N16 Zn8 178.4(4) . 3_656
C23 C24 N16 C22 0.4(9) . .
C23 C24 N16 Zn8 179.9(6) . 3_656
N18 C25 N17 C27 1.2(9) . .
N18 C25 N17 Zn5 -173.1(5) . .
C26 C27 N17 C25 -1.9(10) . .
C26 C27 N17 Zn5 172.7(6) . .
N19 Zn5 N17 C25 -134.6(6) . .
N14 Zn5 N17 C25 104.9(6) . .
N15 Zn5 N17 C25 -11.1(7) . .
N19 Zn5 N17 C27 52.3(7) . .
N14 Zn5 N17 C27 -68.2(7) . .
N15 Zn5 N17 C27 175.8(7) . .
N17 C25 N18 C26 0.0(9) . .
N17 C25 N18 Zn1 173.1(5) . 4_457
C27 C26 N18 C25 -1.1(10) . .
C27 C26 N18 Zn1 -174.5(6) . 4_457
N20 C28 N19 C29 1.8(9) . .
N20 C28 N19 Zn5 176.4(5) . .
C30 C29 N19 C28 -3.0(10) . .
C30 C29 N19 Zn5 -177.2(6) . .
N17 Zn5 N19 C28 -164.3(6) . .
N14 Zn5 N19 C28 -45.7(6) . .
N15 Zn5 N19 C28 71.8(6) . .
N17 Zn5 N19 C29 8.8(8) . .
N14 Zn5 N19 C29 127.4(7) . .
N15 Zn5 N19 C29 -115.1(7) . .
N19 C28 N20 C30 0.1(9) . .
N19 C28 N20 Zn6 173.0(5) . .
C29 C30 N20 C28 -2.0(10) . .
C29 C30 N20 Zn6 -174.6(6) . .
N21 Zn6 N20 C28 148.1(6) . .
N25 Zn6 N20 C28 31.8(7) . .
N23 Zn6 N20 C28 -86.4(7) . .
N21 Zn6 N20 C30 -40.7(8) . .
N25 Zn6 N20 C30 -157.0(7) . .
N23 Zn6 N20 C30 84.8(7) . .
N22 C31 N21 C33 -0.4(8) . .
N22 C31 N21 Zn6 172.1(5) . .
C32 C33 N21 C31 -1.6(9) . .
C32 C33 N21 Zn6 -173.2(6) . .
N25 Zn6 N21 C31 -69.4(6) . .
N20 Zn6 N21 C31 169.2(5) . .
N23 Zn6 N21 C31 49.5(6) . .
N25 Zn6 N21 C33 100.9(7) . .
N20 Zn6 N21 C33 -20.5(7) . .
N23 Zn6 N21 C33 -140.2(7) . .
N21 C31 N22 C32 2.1(8) . .
N21 C31 N22 Zn7 176.8(4) . .
C33 C32 N22 C31 -3.0(9) . .
C33 C32 N22 Zn7 -177.8(6) . .
N27 Zn7 N22 C31 104.4(6) . .
N29 Zn7 N22 C31 -25.9(7) . .
N26 Zn7 N22 C31 -141.5(6) 1_455 .
N27 Zn7 N22 C32 -82.0(7) . .
N29 Zn7 N22 C32 147.7(7) . .
N26 Zn7 N22 C32 32.0(7) 1_455 .
N24 C34 N23 C36 -1.8(8) . .
N24 C34 N23 Zn6 -178.2(4) . .
C35 C36 N23 C34 0.9(9) . .
C35 C36 N23 Zn6 177.1(5) . .
N21 Zn6 N23 C34 111.4(6) . .
N25 Zn6 N23 C34 -133.0(6) . .
N20 Zn6 N23 C34 -12.6(6) . .
N21 Zn6 N23 C36 -64.2(7) . .
N25 Zn6 N23 C36 51.5(7) . .
N20 Zn6 N23 C36 171.8(7) . .
N23 C34 N24 C35 1.9(8) . .
N23 C34 N24 Zn9 -176.8(5) . 3_656
C36 C35 N24 C34 -1.3(9) . .
C36 C35 N24 Zn9 177.3(6) . 3_656
N26 C37 N25 C38 2.0(10) . .
N26 C37 N25 Zn6 -173.8(5) . .
C39 C38 N25 C37 -2.0(12) . .
C39 C38 N25 Zn6 173.8(8) . .
N21 Zn6 N25 C37 151.9(6) . .
N20 Zn6 N25 C37 -86.4(7) . .
N23 Zn6 N25 C37 29.1(7) . .
N21 Zn6 N25 C38 -22.9(9) . .
N20 Zn6 N25 C38 98.8(9) . .
N23 Zn6 N25 C38 -145.7(9) . .
N25 C37 N26 C39 -1.1(10) . .
N25 C37 N26 Zn7 -175.4(5) . 1_655
C38 C39 N26 C37 -0.2(12) . .
C38 C39 N26 Zn7 173.7(7) . 1_655
N28 C40 N27 C42 -0.7(10) . .
N28 C40 N27 Zn7 -170.2(5) . .
C41 C42 N27 C40 -1.0(13) . .
C41 C42 N27 Zn7 168.7(8) . .
N22 Zn7 N27 C40 -162.7(6) . .
N29 Zn7 N27 C40 -33.7(7) . .
N26 Zn7 N27 C40 83.2(6) 1_455 .
N22 Zn7 N27 C42 30.3(10) . .
N29 Zn7 N27 C42 159.2(9) . .
N26 Zn7 N27 C42 -83.9(9) 1_455 .
N27 C40 N28 C41 2.0(10) . .
N27 C40 N28 Zn8 178.3(5) . .
C42 C41 N28 C40 -2.4(12) . .
C42 C41 N28 Zn8 -178.6(8) . .
N33 Zn8 N28 C40 -92.7(6) . .
N16 Zn8 N28 C40 27.1(7) 3_646 .
N31 Zn8 N28 C40 149.0(6) . .
N33 Zn8 N28 C41 82.6(9) . .
N16 Zn8 N28 C41 -157.6(9) 3_646 .
N31 Zn8 N28 C41 -35.7(9) . .
N30 C43 N29 C45 3.3(10) . .
N30 C43 N29 Zn7 178.7(5) . .
C44 C45 N29 C43 0.6(13) . .
C44 C45 N29 Zn7 -175.3(8) . .
N27 Zn7 N29 C43 -67.3(7) . .
N22 Zn7 N29 C43 61.7(7) . .
N26 Zn7 N29 C43 176.5(6) 1_455 .
N27 Zn7 N29 C45 107.5(8) . .
N22 Zn7 N29 C45 -123.5(8) . .
N26 Zn7 N29 C45 -8.7(9) 1_455 .
N29 C43 N30 C44 -5.5(10) . .
N29 C43 N30 Zn1 -173.6(5) . 2_654
C45 C44 N30 C43 5.4(12) . .
C45 C44 N30 Zn1 174.6(8) . 2_654
N32 C46 N31 C47 -1.0(11) . .
N32 C46 N31 Zn8 -176.8(5) . .
C48 C47 N31 C46 0.9(13) . .
C48 C47 N31 Zn8 176.7(7) . .
N28 Zn8 N31 C46 -66.9(7) . .
N33 Zn8 N31 C46 169.4(7) . .
N16 Zn8 N31 C46 51.7(7) 3_646 .
N28 Zn8 N31 C47 118.2(9) . .
N33 Zn8 N31 C47 -5.4(9) . .
N16 Zn8 N31 C47 -123.2(9) 3_646 .
N31 C46 N32 C48 0.6(10) . .
N31 C46 N32 Zn9 -179.6(5) . .
C47 C48 N32 C46 0.0(12) . .
C47 C48 N32 Zn9 -179.8(8) . .
N35 Zn9 N32 C46 151.4(6) . .
N24 Zn9 N32 C46 -82.1(7) 3_646 .
N34 Zn9 N32 C46 37.4(7) 1_655 .
N35 Zn9 N32 C48 -28.8(9) . .
N24 Zn9 N32 C48 97.6(9) 3_646 .
N34 Zn9 N32 C48 -142.8(9) 1_655 .
N34 C49 N33 C50 0.3(9) . .
N34 C49 N33 Zn8 170.8(5) . .
C51 C50 N33 C49 -0.1(9) . .
C51 C50 N33 Zn8 -170.0(6) . .
N28 Zn8 N33 C49 176.2(6) . .
N16 Zn8 N33 C49 58.2(6) 3_646 .
N31 Zn8 N33 C49 -61.3(6) . .
N28 Zn8 N33 C50 -15.8(7) . .
N16 Zn8 N33 C50 -133.9(7) 3_646 .
N31 Zn8 N33 C50 106.7(7) . .
N33 C49 N34 C51 -0.3(8) . .
N33 C49 N34 Zn9 -169.4(5) . 1_455
C50 C51 N34 C49 0.2(9) . .
C50 C51 N34 Zn9 169.4(6) . 1_455
N36 C52 N35 C54 1.5(9) . .
N36 C52 N35 Zn9 -164.1(5) . .
C53 C54 N35 C52 -1.6(11) . .
C53 C54 N35 Zn9 164.8(7) . .
N24 Zn9 N35 C52 -71.8(7) 3_646 .
N34 Zn9 N35 C52 166.1(6) 1_655 .
N32 Zn9 N35 C52 53.6(7) . .
N24 Zn9 N35 C54 125.0(7) 3_646 .
N34 Zn9 N35 C54 2.9(7) 1_655 .
N32 Zn9 N35 C54 -109.6(7) . .
N35 C52 N36 C53 -0.8(10) . .
N35 C52 N36 Zn10 167.8(5) . .
C54 C53 N36 C52 -0.2(11) . .
C54 C53 N36 Zn10 -168.4(7) . .
N37 Zn10 N36 C52 -64.1(7) . .
N39 Zn10 N36 C52 53.3(8) . .
N38 Zn10 N36 C52 175.0(7) 4_547 .
N37 Zn10 N36 C53 101.6(8) . .
N39 Zn10 N36 C53 -140.9(8) . .
N38 Zn10 N36 C53 -19.3(9) 4_547 .
N38 C55 N37 C56 -14.1(14) . .
N38 C55 N37 Zn10 -161.5(8) . .
C57 C56 N37 C55 9.9(14) . .
C57 C56 N37 Zn10 161.2(10) . .
N39 Zn10 N37 C55 98.3(10) . .
N36 Zn10 N37 C55 -140.5(9) . .
N38 Zn10 N37 C55 -21.2(10) 4_547 .
N39 Zn10 N37 C56 -42.9(10) . .
N36 Zn10 N37 C56 78.3(10) . .
N38 Zn10 N37 C56 -162.4(9) 4_547 .
N37 C55 N38 C57 10.9(15) . .
N37 C55 N38 Zn10 173.1(7) . 4_447
C56 C57 N38 C55 -2.4(15) . .
C56 C57 N38 Zn10 -162.8(9) . 4_447
N40 C58 N39 C59 -6.4(14) . .
N40 C58 N39 Zn10 177.9(7) . .
C60 C59 N39 C58 -3.9(19) . .
C60 C59 N39 Zn10 172.2(12) . .
N37 Zn10 N39 C58 121.3(10) . .
N36 Zn10 N39 C58 1.1(11) . .
N38 Zn10 N39 C58 -119.1(10) 4_547 .
N37 Zn10 N39 C59 -53.4(13) . .
N36 Zn10 N39 C59 -173.6(12) . .
N38 Zn10 N39 C59 66.2(13) 4_547 .
N39 C58 N40 C60 13.7(14) . .
N39 C58 N40 Zn2 178.6(7) . 4_447
C59 C60 N40 C58 -13.8(16) . .
C59 C60 N40 Zn2 -179.7(11) . 4_447
O1 C69 N41 C61 178.6(10) . .
O1 C69 N41 C65 14.3(16) . .
C62 C61 N41 C69 -107.1(12) . .
C62 C61 N41 C65 56.9(15) . .
C66 C65 N41 C69 -105.8(18) . .
C66 C65 N41 C61 89.4(18) . .
O2 C78 N42 C74 5(3) . .
O2 C78 N42 C70 -172.9(15) . .
C75 C74 N42 C78 -90(2) . .
C75 C74 N42 C70 87.9(19) . .
C71 C70 N42 C78 -107.2(18) . .
C71 C70 N42 C74 75(2) . .
O3 C87 N43 C83 -26(3) . .
O3 C87 N43 C79 -143(2) . .
C84 C83 N43 C87 134.6(17) . .
C84 C83 N43 C79 -106.7(19) . .
C80 C79 N43 C87 63(3) . .
C80 C79 N43 C83 -61(3) . .
O4 C96 N44 C92 -178(3) . .
O4 C96 N44 C88 -4(4) . .
C93 C92 N44 C96 86(3) . .
C93 C92 N44 C88 -87(3) . .
C89 C88 N44 C96 106(2) . .
C89 C88 N44 C92 -81(3) . .
O5 C105 N45 C97 -24(6) . .
O5 C105 N45 C101 153(3) . .
C98 C97 N45 C105 -133(4) . .
C99 C97 N45 C105 -105(4) . .
C98 C97 N45 C101 49(6) . .
C99 C97 N45 C101 78(3) . .
C102 C101 N45 C105 -111(4) . .
C102 C101 N45 C97 67(5) . .
