#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:40:03 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178789 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/43/4104340.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_4104340
loop_
_publ_author_name
'Sung Cho'
'Jong Min Lim'
'Satoru Hiroto'
'Pyosang Kim'
'Hiroshi Shinokubo'
'Atsuhiro Osuka'
'Dongho Kim'
_publ_section_title
;
 Unusual Interchromophoric Interactions in β,β' Directly and Doubly
 Linked Corrole Dimers: Prohibited Electronic Communication and Abnormal
 Singlet Ground States
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6412
_journal_page_last               6420
_journal_paper_doi               10.1021/ja900220y
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C100 H69 Cl3 F30 N8 O2 Zn2'
_chemical_formula_weight         2221.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 109.6514(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.9948(4)
_cell_length_b                   39.4282(8)
_cell_length_c                   16.3092(4)
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      1.68
_cell_volume                     9080.7(4)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Crystal Clear'
_computing_data_reduction        HKL2000
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            89306
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    0.736
_exptl_absorpt_correction_T_max  0.9641
_exptl_absorpt_correction_T_min  0.8976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4488
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.445
_refine_diff_density_min         -1.405
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1445
_refine_ls_number_reflns         16700
_refine_ls_number_restraints     584
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.1171
_refine_ls_R_factor_gt           0.0875
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1514P)²+32.8162P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2412
_refine_ls_wR_factor_ref         0.2700
_reflns_number_gt                12081
_reflns_number_total             16700
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja900220y_si_004.cif
_cod_data_source_block           zn
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4104340
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 -0.06864(7) 0.109005(17) 0.44031(5) 0.0314(3) Uani 0.886(3) 1 d P A 1
Zn2 Zn -0.1379(7) 0.10093(16) 0.4400(4) 0.047(3) Uani 0.114(3) 1 d P A 2
N1 N -0.0262(4) 0.07693(11) 0.5403(3) 0.0357(11) Uani 1 1 d . . .
N2 N -0.0949(4) 0.14309(11) 0.5166(3) 0.0376(11) Uani 1 1 d . . .
N3 N -0.1562(4) 0.12838(11) 0.3324(3) 0.0384(12) Uani 1 1 d . . .
N4 N -0.0819(4) 0.06413(11) 0.3822(3) 0.0341(11) Uani 1 1 d . . .
C1 C -0.0140(4) 0.04383(12) 0.5237(4) 0.0308(12) Uani 1 1 d . A .
C2 C 0.0247(4) 0.02681(12) 0.6077(3) 0.0270(11) Uani 1 1 d . . .
C3 C 0.0293(4) 0.05135(13) 0.6707(3) 0.0290(11) Uani 1 1 d . A .
H1 H 0.0513 0.0480 0.7320 0.035 Uiso 1 1 calc R . .
C4 C -0.0049(4) 0.08214(13) 0.6268(4) 0.0324(12) Uani 1 1 d . A .
C5 C -0.0226(4) 0.11451(13) 0.6590(4) 0.0338(13) Uani 1 1 d . . .
C6 C -0.0656(4) 0.14251(14) 0.6063(4) 0.0362(13) Uani 1 1 d . A .
C7 C -0.0857(5) 0.17575(14) 0.6343(4) 0.0457(16) Uani 1 1 d . . .
H2 H -0.0726 0.1829 0.6929 0.055 Uiso 1 1 calc R A .
C8 C -0.1260(5) 0.19461(15) 0.5631(5) 0.0514(18) Uani 1 1 d . A .
H3 H -0.1463 0.2175 0.5623 0.062 Uiso 1 1 calc R . .
C9 C -0.1332(4) 0.17390(13) 0.4873(4) 0.0386(14) Uani 1 1 d . A .
C10 C -0.1742(4) 0.18274(14) 0.3984(5) 0.0425(15) Uani 1 1 d . . .
C11 C -0.1873(4) 0.16092(14) 0.3256(4) 0.0396(14) Uani 1 1 d . A .
C12 C -0.2373(4) 0.16807(15) 0.2340(4) 0.0436(15) Uani 1 1 d . . .
H4 H -0.2664 0.1890 0.2107 0.052 Uiso 1 1 calc R A .
C13 C -0.2351(5) 0.13959(15) 0.1877(4) 0.0430(15) Uani 1 1 d . A .
H5 H -0.2617 0.1369 0.1264 0.052 Uiso 1 1 calc R . .
C14 C -0.1841(4) 0.11398(14) 0.2502(4) 0.0358(13) Uani 1 1 d . A .
C15 C -0.1655(4) 0.08019(14) 0.2324(4) 0.0351(13) Uani 1 1 d . . .
C16 C -0.1161(4) 0.05547(13) 0.2967(3) 0.0327(12) Uani 1 1 d . A .
C17 C -0.0978(4) 0.02043(13) 0.2892(3) 0.0301(12) Uani 1 1 d . . .
H6 H -0.1128 0.0079 0.2366 0.036 Uiso 1 1 calc R A .
C18 C -0.0538(4) 0.00789(12) 0.3732(3) 0.0265(11) Uani 1 1 d . . .
C19 C -0.0454(4) 0.03659(13) 0.4324(4) 0.0318(12) Uani 1 1 d . A .
C20 C 0.0011(4) 0.11794(13) 0.7547(4) 0.0338(13) Uani 1 1 d . A .
C21 C 0.0942(4) 0.11837(13) 0.8107(4) 0.0333(12) Uani 1 1 d . . .
C22 C 0.1183(4) 0.12118(14) 0.9000(4) 0.0348(13) Uani 1 1 d . A .
C23 C 0.0472(5) 0.12220(16) 0.9360(4) 0.0414(14) Uani 1 1 d . . .
C24 C -0.0464(5) 0.12153(17) 0.8832(4) 0.0445(15) Uani 1 1 d . A .
C25 C -0.0684(4) 0.11956(16) 0.7935(4) 0.0412(14) Uani 1 1 d . . .
F1 F 0.1651(2) 0.11613(9) 0.7772(2) 0.0406(8) Uani 1 1 d . A .
F2 F 0.2089(2) 0.12242(9) 0.9522(2) 0.0428(8) Uani 1 1 d . . .
F3 F 0.0690(3) 0.12399(11) 1.0224(2) 0.0519(10) Uani 1 1 d . A .
F4 F -0.1147(3) 0.12225(13) 0.9188(3) 0.0656(12) Uani 1 1 d . . .
F5 F -0.1602(3) 0.11898(11) 0.7440(3) 0.0567(11) Uani 1 1 d . A .
C26 C -0.2003(4) 0.21911(14) 0.3782(5) 0.0437(15) Uani 1 1 d U A .
C27 C -0.1392(5) 0.24176(15) 0.3620(4) 0.0398(14) Uani 1 1 d U . .
C28 C -0.1588(5) 0.27582(15) 0.3462(4) 0.0475(16) Uani 1 1 d U A .
C29 C -0.2389(6) 0.28869(18) 0.3513(7) 0.071(2) Uani 1 1 d U . .
C30 C -0.3006(7) 0.2680(2) 0.3707(9) 0.101(3) Uani 1 1 d U A .
C31 C -0.2792(7) 0.2339(2) 0.3855(8) 0.092(3) Uani 1 1 d U . .
F6 F -0.0566(4) 0.22997(11) 0.3582(4) 0.0808(15) Uani 1 1 d U A .
F7 F -0.0949(4) 0.29669(11) 0.3322(4) 0.0816(15) Uani 1 1 d U . .
F8 F -0.2574(4) 0.32180(11) 0.3379(5) 0.1002(19) Uani 1 1 d U A .
F9 F -0.3810(6) 0.28092(18) 0.3766(8) 0.175(3) Uani 1 1 d U . .
F10 F -0.3447(5) 0.21429(16) 0.4021(8) 0.170(3) Uani 1 1 d U A .
C32 C -0.2012(4) 0.06813(14) 0.1400(4) 0.0355(13) Uani 1 1 d . A .
C33 C -0.1395(5) 0.06274(17) 0.0941(4) 0.0477(16) Uani 1 1 d . . .
C34 C -0.1697(6) 0.04987(18) 0.0103(4) 0.0532(18) Uani 1 1 d . A .
C35 C -0.2629(6) 0.04216(17) -0.0291(4) 0.0526(18) Uani 1 1 d . . .
C36 C -0.3256(5) 0.04663(19) 0.0144(4) 0.0551(19) Uani 1 1 d . A .
C37 C -0.2947(5) 0.05962(17) 0.0984(4) 0.0454(15) Uani 1 1 d . . .
F11 F -0.0481(3) 0.06962(14) 0.1314(3) 0.0725(13) Uani 1 1 d . A .
F12 F -0.1081(4) 0.04527(15) -0.0321(3) 0.0868(16) Uani 1 1 d . . .
F13 F -0.2939(4) 0.03003(12) -0.1109(3) 0.0736(14) Uani 1 1 d . A .
F14 F -0.4177(4) 0.03906(16) -0.0249(3) 0.0918(18) Uani 1 1 d . . .
F15 F -0.3577(3) 0.06398(14) 0.1392(3) 0.0707(13) Uani 1 1 d . A .
Zn3 Zn 0.36292(7) 0.101209(17) 0.44133(4) 0.0257(2) Uani 0.886(3) 1 d P A 1
Zn4 Zn 0.4306(7) 0.10917(16) 0.4389(4) 0.047(3) Uani 0.114(3) 1 d P A 2
N5 N 0.4485(4) 0.07441(11) 0.5405(3) 0.0349(11) Uani 1 1 d . . .
N6 N 0.3914(3) 0.14165(10) 0.5161(3) 0.0300(10) Uani 1 1 d . . .
N7 N 0.3294(3) 0.12639(10) 0.3315(3) 0.0317(10) Uani 1 1 d . . .
N8 N 0.3939(3) 0.06107(11) 0.3824(3) 0.0318(10) Uani 1 1 d . . .
C38 C 0.4702(4) 0.04244(12) 0.5247(3) 0.0283(11) Uani 1 1 d . A .
C39 C 0.5206(4) 0.02668(12) 0.6082(3) 0.0238(10) Uani 1 1 d . . .
C40 C 0.5258(4) 0.05127(12) 0.6710(3) 0.0273(11) Uani 1 1 d . A .
H7 H 0.5544 0.0486 0.7321 0.033 Uiso 1 1 calc R . .
C41 C 0.4808(4) 0.08088(13) 0.6271(3) 0.0288(12) Uani 1 1 d . A .
C42 C 0.4687(4) 0.11368(13) 0.6585(3) 0.0303(12) Uani 1 1 d . . .
C43 C 0.4286(4) 0.14236(13) 0.6042(3) 0.0300(12) Uani 1 1 d . A .
C44 C 0.4229(4) 0.17695(14) 0.6326(4) 0.0381(14) Uani 1 1 d . . .
H8 H 0.4430 0.1848 0.6911 0.046 Uiso 1 1 calc R A .
C45 C 0.3838(4) 0.19601(14) 0.5605(4) 0.0369(13) Uani 1 1 d . A .
H9 H 0.3714 0.2197 0.5591 0.044 Uiso 1 1 calc R . .
C46 C 0.3643(4) 0.17376(13) 0.4857(4) 0.0313(12) Uani 1 1 d . A .
C47 C 0.3243(4) 0.18224(12) 0.3963(4) 0.0304(12) Uani 1 1 d . . .
C48 C 0.3087(4) 0.16039(13) 0.3241(4) 0.0311(12) Uani 1 1 d . A .
C49 C 0.2696(4) 0.16836(14) 0.2318(4) 0.0368(13) Uani 1 1 d . . .
H10 H 0.2483 0.1900 0.2075 0.044 Uiso 1 1 calc R A .
C50 C 0.2688(4) 0.13927(13) 0.1861(4) 0.0351(13) Uani 1 1 d . A .
H11 H 0.2469 0.1369 0.1245 0.042 Uiso 1 1 calc R . .
C51 C 0.3078(4) 0.11257(13) 0.2494(3) 0.0297(12) Uani 1 1 d . A .
C52 C 0.3252(4) 0.07848(13) 0.2320(3) 0.0289(12) Uani 1 1 d . . .
C53 C 0.3701(4) 0.05368(13) 0.2960(3) 0.0304(12) Uani 1 1 d . A .
C54 C 0.3991(4) 0.01972(12) 0.2890(3) 0.0265(11) Uani 1 1 d . . .
H12 H 0.3904 0.0077 0.2364 0.032 Uiso 1 1 calc R A .
C55 C 0.4424(4) 0.00723(12) 0.3729(3) 0.0256(11) Uani 1 1 d . . .
C56 C 0.4393(4) 0.03490(12) 0.4313(3) 0.0269(11) Uani 1 1 d . A .
C57 C 0.4964(4) 0.11821(12) 0.7537(3) 0.0290(12) Uani 1 1 d . A .
C58 C 0.5909(4) 0.11803(13) 0.8079(3) 0.0298(12) Uani 1 1 d . . .
C59 C 0.6156(4) 0.12145(14) 0.8975(4) 0.0346(13) Uani 1 1 d . A .
C60 C 0.5467(5) 0.12429(16) 0.9347(4) 0.0403(14) Uani 1 1 d . . .
C61 C 0.4529(5) 0.12477(18) 0.8833(4) 0.0434(15) Uani 1 1 d . A .
C62 C 0.4290(4) 0.12186(15) 0.7946(4) 0.0361(13) Uani 1 1 d . . .
F16 F 0.6602(2) 0.11445(8) 0.7744(2) 0.0380(8) Uani 1 1 d . A .
F17 F 0.7076(2) 0.12173(9) 0.9492(2) 0.0451(9) Uani 1 1 d . . .
F18 F 0.5706(3) 0.12669(11) 1.0217(2) 0.0568(11) Uani 1 1 d . A .
F19 F 0.3854(3) 0.12780(14) 0.9204(3) 0.0682(13) Uani 1 1 d . . .
F20 F 0.3370(2) 0.12215(11) 0.7452(2) 0.0525(10) Uani 1 1 d . A .
C63 C 0.2992(4) 0.21877(13) 0.3767(3) 0.0316(12) Uani 1 1 d . A .
C64 C 0.3632(5) 0.24152(14) 0.3623(4) 0.0419(15) Uani 1 1 d . . .
C65 C 0.3414(6) 0.27548(15) 0.3449(5) 0.0528(18) Uani 1 1 d . A .
C66 C 0.2549(6) 0.28737(15) 0.3441(5) 0.0576(19) Uani 1 1 d . . .
C67 C 0.1911(6) 0.26602(18) 0.3597(6) 0.063(2) Uani 1 1 d . A .
C68 C 0.2131(5) 0.23186(16) 0.3763(5) 0.0504(17) Uani 1 1 d . . .
F21 F 0.4478(3) 0.23044(10) 0.3633(4) 0.0687(13) Uani 1 1 d . A .
F22 F 0.4051(4) 0.29672(10) 0.3313(4) 0.0784(15) Uani 1 1 d . . .
F23 F 0.2338(4) 0.32027(10) 0.3273(4) 0.0818(15) Uani 1 1 d . A .
F24 F 0.1066(4) 0.27771(12) 0.3588(5) 0.105(2) Uani 1 1 d . . .
F25 F 0.1492(3) 0.21140(10) 0.3901(4) 0.0772(15) Uani 1 1 d . A .
C69 C 0.2952(4) 0.06700(12) 0.1393(3) 0.0294(12) Uani 1 1 d . A .
C70 C 0.3574(5) 0.06400(17) 0.0935(4) 0.0436(15) Uani 1 1 d . . .
C71 C 0.3290(5) 0.05188(18) 0.0093(4) 0.0476(16) Uani 1 1 d . A .
C72 C 0.2367(5) 0.04258(15) -0.0314(4) 0.0442(16) Uani 1 1 d . . .
C73 C 0.1732(5) 0.04501(17) 0.0113(4) 0.0481(17) Uani 1 1 d . A .
C74 C 0.2019(5) 0.05722(15) 0.0964(4) 0.0390(14) Uani 1 1 d . . .
F26 F 0.4479(3) 0.07249(14) 0.1315(3) 0.0723(14) Uani 1 1 d . A .
F27 F 0.3915(4) 0.04917(15) -0.0335(3) 0.0813(15) Uani 1 1 d . . .
F28 F 0.2081(3) 0.03132(10) -0.1140(2) 0.0628(12) Uani 1 1 d . A .
F29 F 0.0825(3) 0.03633(14) -0.0288(3) 0.0810(15) Uani 1 1 d . . .
F30 F 0.1384(3) 0.05961(13) 0.1371(3) 0.0647(12) Uani 1 1 d . A .
O1 O 0.0661(3) 0.12670(11) 0.4327(3) 0.0480(11) Uani 1 1 d . . .
C75 C 0.1482(5) 0.12790(17) 0.5099(5) 0.0492(17) Uani 1 1 d . A .
H97 H 0.1287 0.1326 0.5610 0.059 Uiso 1 1 calc R . .
H98 H 0.1906 0.1464 0.5048 0.059 Uiso 1 1 calc R . .
C76 C 0.2000(5) 0.09488(18) 0.5224(4) 0.0470(16) Uani 1 1 d . . .
H99 H 0.2578 0.0962 0.5745 0.056 Uiso 1 1 calc R A .
H100 H 0.1593 0.0766 0.5321 0.056 Uiso 1 1 calc R . .
O2 O 0.2260(3) 0.08690(11) 0.4468(3) 0.0433(10) Uani 1 1 d . A .
C77 C 0.1433(5) 0.08569(19) 0.3696(4) 0.0519(17) Uani 1 1 d . . .
H101 H 0.1011 0.0671 0.3748 0.062 Uiso 1 1 calc R A .
H102 H 0.1624 0.0811 0.3182 0.062 Uiso 1 1 calc R . .
C78 C 0.0917(5) 0.1186(2) 0.3580(4) 0.0536(18) Uani 1 1 d . A .
H103 H 0.1324 0.1368 0.3482 0.064 Uiso 1 1 calc R . .
H104 H 0.0338 0.1173 0.3060 0.064 Uiso 1 1 calc R . .
C79 C 0.3335(11) 0.0180(5) 0.7439(9) 0.171(9) Uani 1 1 d . . .
H63 H 0.3649 0.0064 0.7993 0.257 Uiso 0.672(15) 1 calc PR B 1
H64 H 0.2718 0.0265 0.7429 0.257 Uiso 0.672(15) 1 calc PR B 1
H65 H 0.3729 0.0370 0.7377 0.257 Uiso 0.672(15) 1 calc PR B 1
H66 H 0.3317 0.0405 0.7683 0.257 Uiso 0.328(15) 1 calc PR B 2
H67 H 0.3992 0.0099 0.7621 0.257 Uiso 0.328(15) 1 calc PR B 2
H68 H 0.2955 0.0022 0.7650 0.257 Uiso 0.328(15) 1 calc PR B 2
C80 C 0.3203(12) -0.0055(6) 0.6731(12) 0.088(5) Uani 0.672(15) 1 d P B 1
H69 H 0.3837 -0.0147 0.6791 0.105 Uiso 0.672(15) 1 calc PR B 1
H70 H 0.2829 -0.0247 0.6836 0.105 Uiso 0.672(15) 1 calc PR B 1
C81 C 0.2767(7) 0.0039(3) 0.5827(7) 0.088(3) Uani 1 1 d . . .
H71 H 0.3115 0.0240 0.5731 0.105 Uiso 0.672(15) 1 calc PR B 1
H72 H 0.2118 0.0117 0.5758 0.105 Uiso 0.672(15) 1 calc PR B 1
H73 H 0.3403 -0.0033 0.5837 0.105 Uiso 0.328(15) 1 calc PR B 2
H74 H 0.2476 -0.0171 0.5951 0.105 Uiso 0.328(15) 1 calc PR B 2
C82 C 0.2681(8) -0.0202(3) 0.5088(8) 0.054(3) Uani 0.672(15) 1 d P B 1
H75 H 0.3330 -0.0274 0.5140 0.065 Uiso 0.672(15) 1 calc PR B 1
H76 H 0.2348 -0.0407 0.5188 0.065 Uiso 0.672(15) 1 calc PR B 1
C83 C 0.2216(6) -0.0100(3) 0.4196(7) 0.084(3) Uani 1 1 d . . .
H77 H 0.2557 0.0101 0.4091 0.100 Uiso 0.672(15) 1 calc PR B 1
H78 H 0.1570 -0.0024 0.4146 0.100 Uiso 0.672(15) 1 calc PR B 1
H79 H 0.2873 -0.0169 0.4272 0.100 Uiso 0.328(15) 1 calc PR B 2
H80 H 0.1895 -0.0312 0.4262 0.100 Uiso 0.328(15) 1 calc PR B 2
C84 C 0.2119(11) -0.0341(5) 0.3478(11) 0.093(6) Uani 0.672(15) 1 d P B 1
H81 H 0.2765 -0.0423 0.3547 0.112 Uiso 0.672(15) 1 calc PR B 1
H82 H 0.1765 -0.0539 0.3582 0.112 Uiso 0.672(15) 1 calc PR B 1
C85 C 0.1704(10) -0.0254(4) 0.2619(8) 0.141(6) Uani 1 1 d . . .
H83 H 0.1710 -0.0450 0.2250 0.212 Uiso 0.672(15) 1 calc PR B 1
H84 H 0.2058 -0.0066 0.2478 0.212 Uiso 0.672(15) 1 calc PR B 1
H85 H 0.1049 -0.0183 0.2514 0.212 Uiso 0.672(15) 1 calc PR B 1
H86 H 0.1427 -0.0116 0.2094 0.212 Uiso 0.328(15) 1 calc PR B 2
H87 H 0.1267 -0.0437 0.2629 0.212 Uiso 0.328(15) 1 calc PR B 2
H88 H 0.2305 -0.0351 0.2616 0.212 Uiso 0.328(15) 1 calc PR B 2
C86 C 0.1470(8) 0.2080(3) 0.6141(8) 0.098(3) Uani 1 1 d U . .
H13 H 0.2080 0.1962 0.6335 0.146 Uiso 1 1 calc R . .
H14 H 0.1085 0.1996 0.5565 0.146 Uiso 1 1 calc R . .
H15 H 0.1139 0.2039 0.6557 0.146 Uiso 1 1 calc R . .
C87 C 0.1634(8) 0.2455(3) 0.6088(8) 0.097(2) Uani 1 1 d U C .
H16 H 0.1987 0.2490 0.5679 0.116 Uiso 1 1 calc R . .
H17 H 0.2047 0.2533 0.6669 0.116 Uiso 1 1 calc R . .
C88 C 0.0739(8) 0.2686(3) 0.5793(7) 0.094(2) Uani 1 1 d DU . .
H18 H 0.0934 0.2918 0.5700 0.112 Uiso 0.614(8) 1 calc PR C 1
H19 H 0.0305 0.2602 0.5228 0.112 Uiso 0.614(8) 1 calc PR C 1
H20 H 0.0341 0.2553 0.5288 0.112 Uiso 0.386(8) 1 calc PR C 2
H21 H 0.0476 0.2632 0.6260 0.112 Uiso 0.386(8) 1 calc PR C 2
C89 C 0.0233(11) 0.2701(4) 0.6395(10) 0.079(2) Uani 0.614(8) 1 d PU C 1
H22 H 0.0617 0.2835 0.6904 0.094 Uiso 0.614(8) 1 calc PR C 1
H23 H 0.0192 0.2468 0.6603 0.094 Uiso 0.614(8) 1 calc PR C 1
C90 C -0.0786(11) 0.2853(4) 0.6070(10) 0.076(2) Uani 0.614(8) 1 d PU C 1
H24 H -0.1204 0.2712 0.5593 0.091 Uiso 0.614(8) 1 calc PR C 1
H25 H -0.1049 0.2856 0.6552 0.091 Uiso 0.614(8) 1 calc PR C 1
C91 C -0.0743(13) 0.3195(5) 0.5763(14) 0.077(2) Uani 0.614(8) 1 d PU C 1
H26 H -0.1394 0.3279 0.5466 0.092 Uiso 0.614(8) 1 calc PR C 1
H27 H -0.0408 0.3193 0.5333 0.092 Uiso 0.614(8) 1 calc PR C 1
C92 C -0.0216(10) 0.3444(3) 0.6528(9) 0.065(2) Uani 0.614(8) 1 d PU C 1
H28 H -0.0228 0.3674 0.6298 0.097 Uiso 0.614(8) 1 calc PR C 1
H29 H 0.0442 0.3370 0.6799 0.097 Uiso 0.614(8) 1 calc PR C 1
H30 H -0.0535 0.3442 0.6963 0.097 Uiso 0.614(8) 1 calc PR C 1
C93 C -0.3449(14) 0.2347(7) 0.6227(13) 0.221(7) Uani 1 1 d U . .
H40 H -0.3304 0.2450 0.6804 0.332 Uiso 1 1 calc R . .
H41 H -0.4080 0.2419 0.5852 0.332 Uiso 1 1 calc R . .
H42 H -0.2977 0.2419 0.5969 0.332 Uiso 1 1 calc R . .
C94 C -0.3429(12) 0.1956(6) 0.6314(11) 0.204(6) Uani 1 1 d DU . .
H43 H -0.3903 0.1895 0.6590 0.245 Uiso 1 1 calc R . .
H44 H -0.2801 0.1896 0.6735 0.245 Uiso 1 1 calc R . .
C95 C -0.3607(12) 0.1714(6) 0.5503(11) 0.216(6) Uani 1 1 d DU . .
H45 H -0.3225 0.1814 0.5174 0.259 Uiso 1 1 calc R . .
H46 H -0.4276 0.1756 0.5144 0.259 Uiso 1 1 calc RD . .
C96 C -0.3472(12) 0.1304(6) 0.5430(10) 0.210(6) Uani 1 1 d DU D .
H47 H -0.2786 0.1253 0.5662 0.252 Uiso 1 1 calc R . .
H48 H -0.3769 0.1190 0.5814 0.252 Uiso 1 1 calc R . .
C97 C -0.3867(12) 0.1152(6) 0.4547(10) 0.210(6) Uani 1 1 d DU . .
H49 H -0.4318 0.0972 0.4567 0.252 Uiso 0.576(15) 1 calc PR D 1
H50 H -0.4233 0.1330 0.4142 0.252 Uiso 0.576(15) 1 calc PR D 1
H51 H -0.4504 0.1064 0.4486 0.252 Uiso 0.424(15) 1 calc PR D 2
H52 H -0.3469 0.0954 0.4533 0.252 Uiso 0.424(15) 1 calc PR D 2
C98 C -0.3195(16) 0.1010(10) 0.4187(16) 0.214(6) Uani 0.576(15) 1 d PDU D 1
H53 H -0.2923 0.0793 0.4471 0.257 Uiso 0.576(15) 1 calc PR D 1
H54 H -0.2682 0.1170 0.4205 0.257 Uiso 0.576(15) 1 calc PR D 1
C99 C -0.3908(18) 0.0956(10) 0.3242(14) 0.199(6) Uani 0.576(15) 1 d PDU D 1
H55 H -0.3559 0.0891 0.2855 0.298 Uiso 0.576(15) 1 calc PR D 1
H56 H -0.4254 0.1168 0.3033 0.298 Uiso 0.576(15) 1 calc PR D 1
H57 H -0.4358 0.0776 0.3246 0.298 Uiso 0.576(15) 1 calc PR D 1
C100 C -0.396(2) 0.1354(9) 0.3766(15) 0.208(6) Uani 0.424(15) 1 d PDU D 2
H58 H -0.3366 0.1294 0.3671 0.250 Uiso 0.424(15) 1 calc PR D 2
H59 H -0.3846 0.1584 0.4025 0.250 Uiso 0.424(15) 1 calc PRD D 2
C101 C -0.458(2) 0.1443(12) 0.2841(17) 0.195(7) Uani 0.424(15) 1 d PDU D 2
H60 H -0.4559 0.1689 0.2756 0.292 Uiso 0.424(15) 1 calc PR D 2
H61 H -0.5229 0.1371 0.2741 0.292 Uiso 0.424(15) 1 calc PR D 2
H62 H -0.4331 0.1327 0.2429 0.292 Uiso 0.424(15) 1 calc PR D 2
C102 C 0.233(2) 0.0059(7) 0.4976(15) 0.065(8) Uani 0.328(15) 1 d P B 2
H89 H 0.2517 0.0290 0.4855 0.077 Uiso 0.328(15) 1 calc PR B 2
H90 H 0.1664 0.0084 0.4948 0.077 Uiso 0.328(15) 1 calc PR B 2
C103 C -0.1633(15) 0.2961(5) 0.5614(15) 0.065(3) Uani 0.386(8) 1 d PDU C 2
H31 H -0.2263 0.3061 0.5344 0.098 Uiso 0.386(8) 1 calc PR C 2
H32 H -0.1615 0.2836 0.6139 0.098 Uiso 0.386(8) 1 calc PR C 2
H33 H -0.1497 0.2806 0.5202 0.098 Uiso 0.386(8) 1 calc PR C 2
C104 C 0.0344(16) 0.2998(5) 0.5559(15) 0.084(3) Uani 0.386(8) 1 d PDU C 2
H34 H -0.0235 0.2984 0.5039 0.101 Uiso 0.386(8) 1 calc PR C 2
H35 H 0.0797 0.3157 0.5440 0.101 Uiso 0.386(8) 1 calc PR C 2
C105 C 0.0098(16) 0.3111(7) 0.6415(14) 0.086(3) Uani 0.386(8) 1 d PDU C 2
H36 H 0.0074 0.2918 0.6796 0.103 Uiso 0.386(8) 1 calc PR C 2
H37 H 0.0520 0.3292 0.6757 0.103 Uiso 0.386(8) 1 calc PR C 2
C106 C -0.0893(14) 0.3243(6) 0.586(2) 0.077(2) Uani 0.386(8) 1 d PDU C 2
H38 H -0.1095 0.3420 0.6191 0.092 Uiso 0.386(8) 1 calc PR C 2
H39 H -0.0853 0.3348 0.5322 0.092 Uiso 0.386(8) 1 calc PR C 2
C107 C -0.5471(19) 0.1964(8) 0.111(3) 0.171(3) Uani 0.50 1 d PDU E 1
H95 H -0.5435 0.2084 0.1663 0.205 Uiso 0.50 1 calc PR E 1
Cl1 Cl -0.6572(13) 0.2056(5) 0.0637(14) 0.175(3) Uani 0.50 1 d PDU E 1
Cl2 Cl -0.4575(9) 0.2210(3) 0.0948(8) 0.188(3) Uani 0.50 1 d PDU E 1
Cl3 Cl -0.5124(7) 0.1586(2) 0.1619(6) 0.157(2) Uani 0.50 1 d PDU E 1
C108 C -0.544(2) 0.1871(9) 0.0965(17) 0.172(3) Uani 0.50 1 d PDU F 2
H96 H -0.5385 0.1618 0.0987 0.207 Uiso 0.50 1 calc PR F 2
Cl4 Cl -0.6546(13) 0.1976(5) 0.0484(13) 0.178(3) Uani 0.50 1 d PDU F 2
Cl5 Cl -0.4755(8) 0.2044(3) 0.0333(7) 0.174(3) Uani 0.50 1 d PDU F 2
Cl6 Cl -0.4982(8) 0.2036(3) 0.2013(7) 0.189(3) Uani 0.50 1 d PDU F 2
C109 C 0.187(2) -0.0051(8) 0.3354(18) 0.064(7) Uani 0.328(15) 1 d P B 2
H91 H 0.1239 0.0051 0.3270 0.077 Uiso 0.328(15) 1 calc PR B 2
H92 H 0.2259 0.0136 0.3255 0.077 Uiso 0.328(15) 1 calc PR B 2
C110 C 0.301(2) 0.0194(11) 0.6637(19) 0.069(8) Uani 0.328(15) 1 d P B 2
H93 H 0.3411 0.0379 0.6543 0.083 Uiso 0.328(15) 1 calc PR B 2
H94 H 0.2400 0.0306 0.6572 0.083 Uiso 0.328(15) 1 calc PR B 2
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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 N2 94.9(2) . .
N3 Zn1 N4 89.37(19) . .
N2 Zn1 N4 154.8(2) . .
N3 Zn1 N1 156.2(2) . .
N2 Zn1 N1 89.57(19) . .
N4 Zn1 N1 77.20(18) . .
N3 Zn1 O1 100.2(2) . .
N2 Zn1 O1 101.82(19) . .
N4 Zn1 O1 101.77(19) . .
N1 Zn1 O1 101.7(2) . .
N3 Zn2 N2 91.0(3) . .
N3 Zn2 N4 86.3(3) . .
N2 Zn2 N4 139.4(6) . .
N3 Zn2 N1 139.0(6) . .
N2 Zn2 N1 83.5(3) . .
N4 Zn2 N1 72.7(3) . .
C4 N1 C1 110.7(4) . .
C4 N1 Zn1 131.0(4) . .
C1 N1 Zn1 118.3(4) . .
C4 N1 Zn2 125.6(4) . .
C1 N1 Zn2 113.4(4) . .
Zn1 N1 Zn2 30.3(3) . .
C9 N2 C6 109.5(5) . .
C9 N2 Zn1 122.7(4) . .
C6 N2 Zn1 127.0(4) . .
C9 N2 Zn2 120.1(4) . .
C6 N2 Zn2 123.8(4) . .
Zn1 N2 Zn2 31.3(3) . .
C11 N3 C14 108.9(5) . .
C11 N3 Zn1 123.3(4) . .
C14 N3 Zn1 127.0(4) . .
C11 N3 Zn2 121.7(5) . .
C14 N3 Zn2 122.4(4) . .
Zn1 N3 Zn2 31.7(3) . .
C16 N4 C19 110.8(4) . .
C16 N4 Zn1 131.1(4) . .
C19 N4 Zn1 117.9(4) . .
C16 N4 Zn2 125.3(4) . .
C19 N4 Zn2 115.5(4) . .
Zn1 N4 Zn2 31.1(3) . .
N1 C1 C19 112.4(5) . .
N1 C1 C2 107.0(4) . .
C19 C1 C2 140.6(5) . .
C3 C2 C18 124.3(5) . 3_556
C3 C2 C1 106.1(4) . .
C18 C2 C1 129.6(5) 3_556 .
C2 C3 C4 107.6(5) . .
C2 C3 H1 126.2 . .
C4 C3 H1 126.2 . .
N1 C4 C3 108.4(4) . .
N1 C4 C5 120.5(5) . .
C3 C4 C5 131.0(5) . .
C6 C5 C4 125.0(5) . .
C6 C5 C20 117.8(5) . .
C4 C5 C20 117.1(5) . .
N2 C6 C5 125.1(5) . .
N2 C6 C7 107.0(5) . .
C5 C6 C7 127.9(6) . .
C8 C7 C6 108.0(6) . .
C8 C7 H2 126.0 . .
C6 C7 H2 126.0 . .
C7 C8 C9 107.9(5) . .
C7 C8 H3 126.0 . .
C9 C8 H3 126.0 . .
N2 C9 C10 124.6(5) . .
N2 C9 C8 107.5(5) . .
C10 C9 C8 127.9(5) . .
C9 C10 C11 126.5(5) . .
C9 C10 C26 117.0(5) . .
C11 C10 C26 116.3(6) . .
N3 C11 C10 123.7(5) . .
N3 C11 C12 108.1(5) . .
C10 C11 C12 128.1(5) . .
C13 C12 C11 108.0(5) . .
C13 C12 H4 126.0 . .
C11 C12 H4 126.0 . .
C12 C13 C14 106.9(6) . .
C12 C13 H5 126.6 . .
C14 C13 H5 126.6 . .
N3 C14 C15 124.7(5) . .
N3 C14 C13 108.0(5) . .
C15 C14 C13 127.2(6) . .
C14 C15 C16 125.3(5) . .
C14 C15 C32 118.6(5) . .
C16 C15 C32 116.1(5) . .
N4 C16 C17 108.5(5) . .
N4 C16 C15 120.1(5) . .
C17 C16 C15 131.3(5) . .
C18 C17 C16 107.5(5) . .
C18 C17 H6 126.3 . .
C16 C17 H6 126.3 . .
C17 C18 C2 124.0(5) . 3_556
C17 C18 C19 106.3(4) . .
C2 C18 C19 129.7(5) 3_556 .
N4 C19 C1 113.1(5) . .
N4 C19 C18 106.9(5) . .
C1 C19 C18 139.9(5) . .
C21 C20 C25 116.2(5) . .
C21 C20 C5 121.7(5) . .
C25 C20 C5 122.0(5) . .
F1 C21 C20 119.2(5) . .
F1 C21 C22 117.9(5) . .
C20 C21 C22 123.0(5) . .
F2 C22 C23 119.4(5) . .
F2 C22 C21 121.6(5) . .
C23 C22 C21 119.0(5) . .
F3 C23 C24 119.8(6) . .
F3 C23 C22 120.0(5) . .
C24 C23 C22 120.2(6) . .
F4 C24 C23 119.7(6) . .
F4 C24 C25 120.9(6) . .
C23 C24 C25 119.3(6) . .
F5 C25 C24 117.7(6) . .
F5 C25 C20 120.0(5) . .
C24 C25 C20 122.2(6) . .
C31 C26 C27 113.3(6) . .
C31 C26 C10 124.4(7) . .
C27 C26 C10 121.8(6) . .
C26 C27 F6 118.1(5) . .
C26 C27 C28 123.8(6) . .
F6 C27 C28 118.0(6) . .
C29 C28 F7 119.3(6) . .
C29 C28 C27 120.0(7) . .
F7 C28 C27 120.6(7) . .
C28 C29 F8 120.2(7) . .
C28 C29 C30 119.2(7) . .
F8 C29 C30 120.5(8) . .
F9 C30 C29 119.4(8) . .
F9 C30 C31 121.1(10) . .
C29 C30 C31 119.5(9) . .
C26 C31 F10 118.9(7) . .
C26 C31 C30 124.0(9) . .
F10 C31 C30 116.9(9) . .
C37 C32 C33 116.7(6) . .
C37 C32 C15 122.2(6) . .
C33 C32 C15 121.0(6) . .
F11 C33 C34 118.1(6) . .
F11 C33 C32 119.7(6) . .
C34 C33 C32 122.2(7) . .
F12 C34 C35 120.2(6) . .
F12 C34 C33 120.4(7) . .
C35 C34 C33 119.4(7) . .
F13 C35 C36 119.4(7) . .
F13 C35 C34 120.3(7) . .
C36 C35 C34 120.2(6) . .
F14 C36 C35 120.0(7) . .
F14 C36 C37 120.0(7) . .
C35 C36 C37 120.0(7) . .
F15 C37 C32 119.7(6) . .
F15 C37 C36 118.8(6) . .
C32 C37 C36 121.5(7) . .
N7 Zn3 N6 95.23(18) . .
N7 Zn3 N8 89.49(18) . .
N6 Zn3 N8 155.4(2) . .
N7 Zn3 N5 155.0(2) . .
N6 Zn3 N5 88.89(18) . .
N8 Zn3 N5 77.23(17) . .
N7 Zn3 O2 102.37(19) . .
N6 Zn3 O2 101.42(18) . .
N8 Zn3 O2 101.09(19) . .
N5 Zn3 O2 100.94(19) . .
N7 Zn4 N6 92.1(4) . .
N7 Zn4 N5 140.1(6) . .
N6 Zn4 N5 84.8(3) . .
N7 Zn4 N8 85.0(3) . .
N6 Zn4 N8 139.4(6) . .
N5 Zn4 N8 72.6(3) . .
C38 N5 C41 110.5(4) . .
C38 N5 Zn3 118.1(4) . .
C41 N5 Zn3 130.7(3) . .
C38 N5 Zn4 115.8(4) . .
C41 N5 Zn4 127.4(4) . .
Zn3 N5 Zn4 30.3(3) . .
C43 N6 C46 109.2(4) . .
C43 N6 Zn3 126.9(3) . .
C46 N6 Zn3 123.4(4) . .
C43 N6 Zn4 124.9(4) . .
C46 N6 Zn4 118.4(4) . .
Zn3 N6 Zn4 31.3(3) . .
C48 N7 C51 109.2(4) . .
C48 N7 Zn3 123.8(4) . .
C51 N7 Zn3 126.2(3) . .
C48 N7 Zn4 119.2(4) . .
C51 N7 Zn4 125.0(4) . .
Zn3 N7 Zn4 31.4(3) . .
C56 N8 C53 110.8(4) . .
C56 N8 Zn3 118.6(3) . .
C53 N8 Zn3 130.4(3) . .
C56 N8 Zn4 115.4(4) . .
C53 N8 Zn4 125.9(4) . .
Zn3 N8 Zn4 30.3(3) . .
N5 C38 C39 107.7(4) . .
N5 C38 C56 112.1(4) . .
C39 C38 C56 140.2(5) . .
C40 C39 C55 124.5(4) . 3_656
C40 C39 C38 105.9(4) . .
C55 C39 C38 129.7(4) 3_656 .
C39 C40 C41 107.7(4) . .
C39 C40 H7 126.2 . .
C41 C40 H7 126.2 . .
N5 C41 C40 108.3(4) . .
N5 C41 C42 120.1(5) . .
C40 C41 C42 131.6(5) . .
C41 C42 C43 124.8(5) . .
C41 C42 C57 117.5(5) . .
C43 C42 C57 117.6(4) . .
N6 C43 C42 125.0(5) . .
N6 C43 C44 108.1(4) . .
C42 C43 C44 126.9(5) . .
C45 C44 C43 107.5(5) . .
C45 C44 H8 126.3 . .
C43 C44 H8 126.3 . .
C44 C45 C46 107.5(5) . .
C44 C45 H9 126.2 . .
C46 C45 H9 126.2 . .
N6 C46 C47 124.1(5) . .
N6 C46 C45 107.7(5) . .
C47 C46 C45 128.2(5) . .
C48 C47 C46 127.4(5) . .
C48 C47 C63 116.7(5) . .
C46 C47 C63 115.8(5) . .
N7 C48 C47 123.6(5) . .
N7 C48 C49 107.6(5) . .
C47 C48 C49 128.8(5) . .
C50 C49 C48 108.1(5) . .
C50 C49 H10 126.0 . .
C48 C49 H10 126.0 . .
C49 C50 C51 107.0(5) . .
C49 C50 H11 126.5 . .
C51 C50 H11 126.5 . .
N7 C51 C52 124.8(5) . .
N7 C51 C50 108.1(4) . .
C52 C51 C50 127.0(5) . .
C51 C52 C53 125.4(5) . .
C51 C52 C69 118.5(4) . .
C53 C52 C69 116.1(4) . .
N8 C53 C52 120.4(5) . .
N8 C53 C54 107.6(4) . .
C52 C53 C54 132.0(5) . .
C55 C54 C53 107.9(4) . .
C55 C54 H12 126.0 . .
C53 C54 H12 126.0 . .
C54 C55 C39 123.9(4) . 3_656
C54 C55 C56 105.7(4) . .
C39 C55 C56 130.4(4) 3_656 .
N8 C56 C55 107.9(4) . .
N8 C56 C38 112.5(4) . .
C55 C56 C38 139.6(5) . .
C62 C57 C58 116.4(5) . .
C62 C57 C42 121.5(5) . .
C58 C57 C42 122.1(5) . .
F16 C58 C59 118.2(5) . .
F16 C58 C57 120.5(5) . .
C59 C58 C57 121.3(5) . .
C60 C59 F17 119.1(5) . .
C60 C59 C58 120.1(5) . .
F17 C59 C58 120.8(5) . .
F18 C60 C59 120.0(5) . .
F18 C60 C61 119.9(6) . .
C59 C60 C61 120.1(5) . .
F19 C61 C60 119.8(5) . .
F19 C61 C62 120.7(6) . .
C60 C61 C62 119.5(6) . .
F20 C62 C61 118.8(5) . .
F20 C62 C57 118.6(5) . .
C61 C62 C57 122.6(5) . .
C68 C63 C64 116.9(5) . .
C68 C63 C47 121.7(5) . .
C64 C63 C47 121.3(5) . .
F21 C64 C65 118.4(6) . .
F21 C64 C63 119.6(5) . .
C65 C64 C63 122.0(6) . .
F22 C65 C64 120.3(7) . .
F22 C65 C66 120.4(6) . .
C64 C65 C66 119.2(6) . .
F23 C66 C67 120.3(7) . .
F23 C66 C65 119.2(7) . .
C67 C66 C65 120.5(6) . .
F24 C67 C66 120.3(6) . .
F24 C67 C68 119.7(7) . .
C66 C67 C68 120.0(7) . .
F25 C68 C63 119.7(5) . .
F25 C68 C67 118.9(6) . .
C63 C68 C67 121.3(7) . .
C70 C69 C74 116.8(5) . .
C70 C69 C52 123.0(5) . .
C74 C69 C52 120.1(5) . .
F26 C70 C69 119.6(5) . .
F26 C70 C71 118.4(6) . .
C69 C70 C71 122.0(6) . .
F27 C71 C72 119.6(6) . .
F27 C71 C70 120.5(6) . .
C72 C71 C70 119.9(6) . .
F28 C72 C73 119.6(6) . .
F28 C72 C71 120.2(6) . .
C73 C72 C71 120.1(6) . .
F29 C73 C72 120.2(6) . .
F29 C73 C74 119.8(7) . .
C72 C73 C74 119.9(6) . .
F30 C74 C73 119.1(6) . .
F30 C74 C69 119.7(5) . .
C73 C74 C69 121.2(6) . .
C78 O1 C75 110.9(5) . .
C78 O1 Zn1 119.8(4) . .
C75 O1 Zn1 119.9(4) . .
O1 C75 C76 110.1(5) . .
O1 C75 H97 109.6 . .
C76 C75 H97 109.6 . .
O1 C75 H98 109.6 . .
C76 C75 H98 109.6 . .
H97 C75 H98 108.1 . .
O2 C76 C75 110.4(5) . .
O2 C76 H99 109.6 . .
C75 C76 H99 109.6 . .
O2 C76 H100 109.6 . .
C75 C76 H100 109.6 . .
H99 C76 H100 108.1 . .
C77 O2 C76 110.6(5) . .
C77 O2 Zn3 121.6(4) . .
C76 O2 Zn3 120.6(4) . .
O2 C77 C78 109.9(5) . .
O2 C77 H101 109.7 . .
C78 C77 H101 109.7 . .
O2 C77 H102 109.7 . .
C78 C77 H102 109.7 . .
H101 C77 H102 108.2 . .
O1 C78 C77 111.3(5) . .
O1 C78 H103 109.4 . .
C77 C78 H103 109.4 . .
O1 C78 H104 109.4 . .
C77 C78 H104 109.4 . .
H103 C78 H104 108.0 . .
C110 C79 C80 44.1(18) . .
C110 C79 H63 153.5 . .
C80 C79 H63 109.5 . .
C110 C79 H64 86.2 . .
C80 C79 H64 109.5 . .
H63 C79 H64 109.5 . .
C110 C79 H65 83.7 . .
C80 C79 H65 109.5 . .
H63 C79 H65 109.5 . .
H64 C79 H65 109.5 . .
C110 C79 H66 109.5 . .
C80 C79 H66 153.5 . .
H63 C79 H66 96.9 . .
H64 C79 H66 62.5 . .
H65 C79 H66 56.5 . .
C110 C79 H67 109.5 . .
C80 C79 H67 83.6 . .
H63 C79 H67 56.6 . .
H64 C79 H67 164.3 . .
H65 C79 H67 72.5 . .
H66 C79 H67 109.5 . .
C110 C79 H68 109.5 . .
C80 C79 H68 86.3 . .
H63 C79 H68 62.4 . .
H64 C79 H68 64.3 . .
H65 C79 H68 164.2 . .
H66 C79 H68 109.5 . .
H67 C79 H68 109.5 . .
C81 C80 C79 123(2) . .
C81 C80 H69 106.6 . .
C79 C80 H69 106.6 . .
C81 C80 H70 106.6 . .
C79 C80 H70 106.6 . .
H69 C80 H70 106.5 . .
C102 C81 C110 148(3) . .
C102 C81 C80 168.4(19) . .
C110 C81 C80 42.2(15) . .
C102 C81 C82 47.1(13) . .
C110 C81 C82 164(2) . .
C80 C81 C82 122.7(14) . .
C102 C81 H71 83.5 . .
C110 C81 H71 79.3 . .
C80 C81 H71 106.6 . .
C82 C81 H71 106.6 . .
C102 C81 H72 75.0 . .
C110 C81 H72 84.7 . .
C80 C81 H72 106.6 . .
C82 C81 H72 106.6 . .
H71 C81 H72 106.6 . .
C102 C81 H73 99.7 . .
C110 C81 H73 99.7 . .
C80 C81 H73 78.9 . .
C82 C81 H73 69.8 . .
H71 C81 H73 71.2 . .
H72 C81 H73 174.5 . .
C102 C81 H74 99.7 . .
C110 C81 H74 99.7 . .
C80 C81 H74 69.8 . .
C82 C81 H74 73.1 . .
H71 C81 H74 174.8 . .
H72 C81 H74 78.3 . .
H73 C81 H74 104.1 . .
C83 C82 C81 120.8(10) . .
C83 C82 H75 107.1 . .
C81 C82 H75 107.1 . .
C83 C82 H76 107.1 . .
C81 C82 H76 107.1 . .
H75 C82 H76 106.8 . .
C109 C83 C102 142(2) . .
C109 C83 C82 170.3(18) . .
C102 C83 C82 47.8(13) . .
C109 C83 C84 50.6(14) . .
C102 C83 C84 167.0(18) . .
C82 C83 C84 120.2(13) . .
C109 C83 H77 75.3 . .
C102 C83 H77 83.3 . .
C82 C83 H77 107.3 . .
C84 C83 H77 107.3 . .
C109 C83 H78 80.4 . .
C102 C83 H78 75.8 . .
C82 C83 H78 107.3 . .
C84 C83 H78 107.3 . .
H77 C83 H78 106.9 . .
C109 C83 H79 101.6 . .
C102 C83 H79 101.6 . .
C82 C83 H79 70.9 . .
C84 C83 H79 75.4 . .
H77 C83 H79 72.1 . .
H78 C83 H79 177.3 . .
C109 C83 H80 101.6 . .
C102 C83 H80 101.6 . .
C82 C83 H80 75.1 . .
C84 C83 H80 67.6 . .
H77 C83 H80 174.6 . .
H78 C83 H80 76.6 . .
H79 C83 H80 104.6 . .
C85 C84 C83 122.5(19) . .
C85 C84 H81 106.7 . .
C83 C84 H81 106.7 . .
C85 C84 H82 106.7 . .
C83 C84 H82 106.7 . .
H81 C84 H82 106.6 . .
C109 C85 C84 51.5(13) . .
C109 C85 H83 160.9 . .
C84 C85 H83 109.5 . .
C109 C85 H84 79.4 . .
C84 C85 H84 109.5 . .
H83 C85 H84 109.5 . .
C109 C85 H85 82.0 . .
C84 C85 H85 109.5 . .
H83 C85 H85 109.5 . .
H84 C85 H85 109.5 . .
C109 C85 H86 109.5 . .
C84 C85 H86 160.8 . .
H83 C85 H86 89.4 . .
H84 C85 H86 58.8 . .
H85 C85 H86 65.4 . .
C109 C85 H87 109.5 . .
C84 C85 H87 82.7 . .
H83 C85 H87 64.8 . .
H84 C85 H87 167.8 . .
H85 C85 H87 64.8 . .
H86 C85 H87 109.5 . .
C109 C85 H88 109.5 . .
C84 C85 H88 78.7 . .
H83 C85 H88 59.4 . .
H84 C85 H88 74.0 . .
H85 C85 H88 168.5 . .
H86 C85 H88 109.5 . .
H87 C85 H88 109.5 . .
C87 C86 H13 109.5 . .
C87 C86 H14 109.5 . .
H13 C86 H14 109.5 . .
C87 C86 H15 109.5 . .
H13 C86 H15 109.5 . .
H14 C86 H15 109.5 . .
C86 C87 C88 116.8(10) . .
C86 C87 H16 108.1 . .
C88 C87 H16 108.1 . .
C86 C87 H17 108.1 . .
C88 C87 H17 108.1 . .
H16 C87 H17 107.3 . .
C104 C88 C89 82.7(13) . .
C104 C88 C87 149.5(14) . .
C89 C88 C87 114.5(11) . .
C104 C88 H18 40.9 . .
C89 C88 H18 108.6 . .
C87 C88 H18 108.6 . .
C104 C88 H19 87.3 . .
C89 C88 H19 108.6 . .
C87 C88 H19 108.6 . .
H18 C88 H19 107.6 . .
C104 C88 H20 99.3 . .
C89 C88 H20 106.5 . .
C87 C88 H20 99.3 . .
H18 C88 H20 119.3 . .
H19 C88 H20 12.5 . .
C104 C88 H21 99.3 . .
C89 C88 H21 16.6 . .
C87 C88 H21 99.3 . .
H18 C88 H21 122.2 . .
H19 C88 H21 109.7 . .
H20 C88 H21 104.0 . .
C88 C89 C90 118.0(13) . .
C88 C89 H22 107.8 . .
C90 C89 H22 107.8 . .
C88 C89 H23 107.8 . .
C90 C89 H23 107.8 . .
H22 C89 H23 107.1 . .
C91 C90 C89 108.8(14) . .
C91 C90 H24 109.9 . .
C89 C90 H24 109.9 . .
C91 C90 H25 109.9 . .
C89 C90 H25 109.9 . .
H24 C90 H25 108.3 . .
C90 C91 C92 112.0(16) . .
C90 C91 H26 109.2 . .
C92 C91 H26 109.2 . .
C90 C91 H27 109.2 . .
C92 C91 H27 109.2 . .
H26 C91 H27 107.9 . .
C91 C92 H28 109.5 . .
C91 C92 H29 109.5 . .
H28 C92 H29 109.5 . .
C91 C92 H30 109.5 . .
H28 C92 H30 109.5 . .
H29 C92 H30 109.5 . .
C94 C93 H40 109.5 . .
C94 C93 H41 109.5 . .
H40 C93 H41 109.5 . .
C94 C93 H42 109.5 . .
H40 C93 H42 109.5 . .
H41 C93 H42 109.5 . .
C93 C94 C95 122.2(19) . .
C93 C94 H43 106.8 . .
C95 C94 H43 106.8 . .
C93 C94 H44 106.8 . .
C95 C94 H44 106.8 . .
H43 C94 H44 106.6 . .
C94 C95 C96 131.9(17) . .
C94 C95 H45 104.3 . .
C96 C95 H45 104.3 . .
C94 C95 H46 104.3 . .
C96 C95 H46 104.3 . .
H45 C95 H46 105.6 . .
C97 C96 C95 116.7(18) . .
C97 C96 H47 108.1 . .
C95 C96 H47 108.1 . .
C97 C96 H48 108.1 . .
C95 C96 H48 108.1 . .
H47 C96 H48 107.3 . .
C98 C97 C96 116.5(16) . .
C98 C97 C100 75(2) . .
C96 C97 C100 121(2) . .
C98 C97 H49 108.2 . .
C96 C97 H49 108.2 . .
C100 C97 H49 123.3 . .
C98 C97 H50 108.2 . .
C96 C97 H50 108.1 . .
C100 C97 H50 33.7 . .
H49 C97 H50 107.3 . .
C98 C97 H51 127.3 . .
C96 C97 H51 107.1 . .
C100 C97 H51 107.1 . .
H49 C97 H51 26.3 . .
H50 C97 H51 83.3 . .
C98 C97 H52 34.0 . .
C96 C97 H52 107.1 . .
C100 C97 H52 107.1 . .
H49 C97 H52 81.7 . .
H50 C97 H52 138.3 . .
H51 C97 H52 106.8 . .
C97 C98 C99 96.5(15) . .
C97 C98 H53 112.4 . .
C99 C98 H53 112.4 . .
C97 C98 H54 112.5 . .
C99 C98 H54 112.5 . .
H53 C98 H54 110.0 . .
C98 C99 H55 109.5 . .
C98 C99 H56 109.5 . .
H55 C99 H56 109.5 . .
C98 C99 H57 109.5 . .
H55 C99 H57 109.5 . .
H56 C99 H57 109.5 . .
C97 C100 C101 147(3) . .
C97 C100 H58 100.1 . .
C101 C100 H58 100.1 . .
C97 C100 H59 100.1 . .
C101 C100 H59 100.1 . .
H58 C100 H59 104.2 . .
C100 C101 H60 109.5 . .
C100 C101 H61 109.5 . .
H60 C101 H61 109.5 . .
C100 C101 H62 109.5 . .
H60 C101 H62 109.5 . .
H61 C101 H62 109.5 . .
C81 C102 C83 144(3) . .
C81 C102 H89 101.0 . .
C83 C102 H89 101.0 . .
C81 C102 H90 101.0 . .
C83 C102 H90 101.0 . .
H89 C102 H90 104.5 . .
C106 C103 H31 109.5 . .
C106 C103 H32 109.5 . .
H31 C103 H32 109.5 . .
C106 C103 H33 109.5 . .
H31 C103 H33 109.5 . .
H32 C103 H33 109.5 . .
C88 C104 C105 102.1(17) . .
C88 C104 H34 111.3 . .
C105 C104 H34 111.3 . .
C88 C104 H35 111.3 . .
C105 C104 H35 111.3 . .
H34 C104 H35 109.2 . .
C106 C105 C104 92.3(11) . .
C106 C105 H36 113.2 . .
C104 C105 H36 113.2 . .
C106 C105 H37 113.2 . .
C104 C105 H37 113.2 . .
H36 C105 H37 110.6 . .
C103 C106 C105 112(2) . .
C103 C106 H38 109.1 . .
C105 C106 H38 109.1 . .
C103 C106 H39 109.1 . .
C105 C106 H39 109.1 . .
H38 C106 H39 107.9 . .
Cl1 C107 Cl3 122.0(17) . .
Cl1 C107 Cl2 121.0(17) . .
Cl3 C107 Cl2 115.8(16) . .
Cl1 C107 H95 93.6 . .
Cl3 C107 H95 93.6 . .
Cl2 C107 H95 93.6 . .
Cl4 C108 Cl6 112.5(19) . .
Cl4 C108 Cl5 108.0(18) . .
Cl6 C108 Cl5 107.6(16) . .
Cl4 C108 H96 109.6 . .
Cl6 C108 H96 109.6 . .
Cl5 C108 H96 109.6 . .
C85 C109 C83 135(3) . .
C85 C109 H91 103.3 . .
C83 C109 H91 103.3 . .
C85 C109 H92 103.3 . .
C83 C109 H92 103.3 . .
H91 C109 H92 105.2 . .
C79 C110 C81 151(4) . .
C79 C110 H93 99.0 . .
C81 C110 H93 99.0 . .
C79 C110 H94 99.0 . .
C81 C110 H94 99.0 . .
H93 C110 H94 103.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N3 1.962(5) .
Zn1 N2 1.959(5) .
Zn1 N4 1.985(4) .
Zn1 N1 1.992(5) .
Zn1 O1 2.181(5) .
Zn2 N3 2.001(8) .
Zn2 N2 2.049(8) .
Zn2 N4 2.057(9) .
Zn2 N1 2.129(8) .
N1 C4 1.353(7) .
N1 C1 1.357(7) .
N2 C9 1.360(7) .
N2 C6 1.379(8) .
N3 C11 1.357(7) .
N3 C14 1.385(8) .
N4 C16 1.357(7) .
N4 C19 1.360(7) .
C1 C19 1.431(8) .
C1 C2 1.459(7) .
C2 C3 1.397(7) .
C2 C18 1.438(7) 3_556
C3 C4 1.415(7) .
C3 H1 0.9500 .
C4 C5 1.439(7) .
C5 C6 1.414(8) .
C5 C20 1.486(8) .
C6 C7 1.452(8) .
C7 C8 1.339(9) .
C7 H2 0.9500 .
C8 C9 1.456(9) .
C8 H3 0.9500 .
C9 C10 1.415(9) .
C10 C11 1.426(9) .
C10 C26 1.493(7) .
C11 C12 1.456(9) .
C12 C13 1.360(9) .
C12 H4 0.9500 .
C13 C14 1.455(8) .
C13 H5 0.9500 .
C14 C15 1.411(8) .
C15 C16 1.441(7) .
C15 C32 1.497(8) .
C16 C17 1.422(7) .
C17 C18 1.396(7) .
C17 H6 0.9500 .
C18 C2 1.438(7) 3_556
C18 C19 1.465(7) .
C20 C21 1.387(8) .
C20 C25 1.391(9) .
C21 F1 1.351(7) .
C21 C22 1.382(8) .
C22 F2 1.340(7) .
C22 C23 1.382(9) .
C23 F3 1.336(7) .
C23 C24 1.378(9) .
C24 F4 1.336(7) .
C24 C25 1.390(9) .
C25 F5 1.342(7) .
C26 C31 1.360(11) .
C26 C27 1.368(9) .
C27 F6 1.344(8) .
C27 C28 1.381(8) .
C28 C29 1.331(11) .
C28 F7 1.340(8) .
C29 F8 1.337(8) .
C29 C30 1.348(13) .
C30 F9 1.342(11) .
C30 C31 1.382(12) .
C31 F10 1.348(11) .
C32 C37 1.379(9) .
C32 C33 1.388(9) .
C33 F11 1.327(8) .
C33 C34 1.385(9) .
C34 F12 1.339(9) .
C34 C35 1.362(11) .
C35 F13 1.344(8) .
C35 C36 1.366(11) .
C36 F14 1.347(8) .
C36 C37 1.388(9) .
C37 F15 1.338(8) .
Zn3 N7 1.960(4) .
Zn3 N6 1.965(4) .
Zn3 N8 1.987(4) .
Zn3 N5 1.996(5) .
Zn3 O2 2.160(4) .
Zn4 N7 2.011(8) .
Zn4 N6 2.016(8) .
Zn4 N5 2.097(8) .
Zn4 N8 2.100(8) .
N5 C38 1.348(6) .
N5 C41 1.355(7) .
N6 C43 1.357(7) .
N6 C46 1.370(6) .
N7 C48 1.372(6) .
N7 C51 1.379(7) .
N8 C56 1.341(6) .
N8 C53 1.363(7) .
C38 C39 1.455(7) .
C38 C56 1.467(7) .
C39 C40 1.393(7) .
C39 C55 1.441(7) 3_656
C40 C41 1.416(7) .
C40 H7 0.9500 .
C41 C42 1.424(7) .
C42 C43 1.437(7) .
C42 C57 1.478(7) .
C43 C44 1.452(7) .
C44 C45 1.351(8) .
C44 H8 0.9500 .
C45 C46 1.450(7) .
C45 H9 0.9500 .
C46 C47 1.418(8) .
C47 C48 1.414(8) .
C47 C63 1.496(7) .
C48 C49 1.455(8) .
C49 C50 1.366(8) .
C49 H10 0.9500 .
C50 C51 1.453(7) .
C50 H11 0.9500 .
C51 C52 1.416(7) .
C52 C53 1.423(7) .
C52 C69 1.496(7) .
C53 C54 1.424(7) .
C54 C55 1.392(7) .
C54 H12 0.9500 .
C55 C39 1.441(7) 3_656
C55 C56 1.459(7) .
C57 C62 1.393(8) .
C57 C58 1.395(8) .
C58 F16 1.333(7) .
C58 C59 1.389(8) .
C59 C60 1.367(9) .
C59 F17 1.353(7) .
C60 F18 1.344(6) .
C60 C61 1.375(9) .
C61 F19 1.347(7) .
C61 C62 1.374(8) .
C62 F20 1.343(7) .
C63 C68 1.389(9) .
C63 C64 1.390(8) .
C64 F21 1.337(8) .
C64 C65 1.385(8) .
C65 F22 1.343(8) .
C65 C66 1.376(11) .
C66 F23 1.341(7) .
C66 C67 1.361(11) .
C67 F24 1.343(9) .
C67 C68 1.391(9) .
C68 F25 1.329(8) .
C69 C70 1.382(9) .
C69 C74 1.391(8) .
C70 F26 1.332(8) .
C70 C71 1.379(8) .
C71 F27 1.348(8) .
C71 C72 1.368(10) .
C72 F28 1.345(7) .
C72 C73 1.359(10) .
C73 F29 1.340(8) .
C73 C74 1.394(9) .
C74 F30 1.336(8) .
O1 C78 1.430(8) .
O1 C75 1.435(8) .
C75 C76 1.495(10) .
C75 H97 0.9900 .
C75 H98 0.9900 .
C76 O2 1.447(8) .
C76 H99 0.9900 .
C76 H100 0.9900 .
O2 C77 1.440(8) .
C77 C78 1.490(10) .
C77 H101 0.9900 .
C77 H102 0.9900 .
C78 H103 0.9900 .
C78 H104 0.9900 .
C79 C110 1.23(3) .
C79 C80 1.44(2) .
C79 H63 0.9800 .
C79 H64 0.9800 .
C79 H65 0.9800 .
C79 H66 0.9800 .
C79 H67 0.9800 .
C79 H68 0.9800 .
C80 C81 1.44(2) .
C80 H69 0.9900 .
C80 H70 0.9900 .
C81 C102 1.32(3) .
C81 C110 1.39(3) .
C81 C82 1.507(15) .
C81 H71 0.9900 .
C81 H72 0.9900 .
C81 H73 0.9900 .
C81 H74 0.9900 .
C82 C83 1.443(15) .
C82 H75 0.9900 .
C82 H76 0.9900 .
C83 C109 1.31(3) .
C83 C102 1.38(2) .
C83 C84 1.479(18) .
C83 H77 0.9900 .
C83 H78 0.9900 .
C83 H79 0.9900 .
C83 H80 0.9900 .
C84 C85 1.37(2) .
C84 H81 0.9900 .
C84 H82 0.9900 .
C85 C109 1.39(3) .
C85 H83 0.9800 .
C85 H84 0.9800 .
C85 H85 0.9800 .
C85 H86 0.9800 .
C85 H87 0.9800 .
C85 H88 0.9800 .
C86 C87 1.506(14) .
C86 H13 0.9800 .
C86 H14 0.9800 .
C86 H15 0.9800 .
C87 C88 1.558(15) .
C87 H16 0.9900 .
C87 H17 0.9900 .
C88 C104 1.363(17) .
C88 C89 1.428(19) .
C88 H18 0.9900 .
C88 H19 0.9900 .
C88 H20 0.9900 .
C88 H21 0.9900 .
C89 C90 1.56(2) .
C89 H22 0.9900 .
C89 H23 0.9900 .
C90 C91 1.45(2) .
C90 H24 0.9900 .
C90 H25 0.9900 .
C91 C92 1.57(2) .
C91 H26 0.9900 .
C91 H27 0.9900 .
C92 H28 0.9800 .
C92 H29 0.9800 .
C92 H30 0.9800 .
C93 C94 1.54(3) .
C93 H40 0.9800 .
C93 H41 0.9800 .
C93 H42 0.9800 .
C94 C95 1.579(16) .
C94 H43 0.9900 .
C94 H44 0.9900 .
C95 C96 1.637(18) .
C95 H45 0.9900 .
C95 H46 0.9900 .
C96 C97 1.488(14) .
C96 H47 0.9900 .
C96 H48 0.9900 .
C97 C98 1.440(19) .
C97 C100 1.47(2) .
C97 H49 0.9900 .
C97 H50 0.9900 .
C97 H51 0.9900 .
C97 H52 0.9900 .
C98 C99 1.567(18) .
C98 H53 0.9900 .
C98 H54 0.9900 .
C99 H55 0.9800 .
C99 H56 0.9800 .
C99 H57 0.9800 .
C100 C101 1.52(2) .
C100 H58 0.9900 .
C100 H59 0.9900 .
C101 H60 0.9800 .
C101 H61 0.9800 .
C101 H62 0.9800 .
C102 H89 0.9900 .
C102 H90 0.9900 .
C103 C106 1.52(2) .
C103 H31 0.9800 .
C103 H32 0.9800 .
C103 H33 0.9800 .
C104 C105 1.623(18) .
C104 H34 0.9900 .
C104 H35 0.9900 .
C105 C106 1.546(19) .
C105 H36 0.9900 .
C105 H37 0.9900 .
C106 H38 0.9900 .
C106 H39 0.9900 .
C107 Cl1 1.61(2) .
C107 Cl3 1.70(2) .
C107 Cl2 1.75(2) .
C107 H95 1.0000 .
C108 Cl4 1.63(3) .
C108 Cl6 1.74(3) .
C108 Cl5 1.82(3) .
C108 H96 1.0000 .
C109 H91 0.9900 .
C109 H92 0.9900 .
C110 H93 0.9900 .
C110 H94 0.9900 .
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
N3 Zn1 N1 C4 -114.9(6) . .
N2 Zn1 N1 C4 -13.6(6) . .
N4 Zn1 N1 C4 -172.0(6) . .
O1 Zn1 N1 C4 88.4(6) . .
N3 Zn1 N1 C1 66.0(7) . .
N2 Zn1 N1 C1 167.3(5) . .
N4 Zn1 N1 C1 8.9(4) . .
O1 Zn1 N1 C1 -90.7(5) . .
N3 Zn1 N1 Zn2 -22.5(6) . .
N2 Zn1 N1 Zn2 78.9(4) . .
N4 Zn1 N1 Zn2 -79.6(4) . .
O1 Zn1 N1 Zn2 -179.2(4) . .
N3 Zn2 N1 C4 125.2(6) . .
N2 Zn2 N1 C4 41.1(6) . .
N4 Zn2 N1 C4 -172.2(5) . .
N3 Zn2 N1 C1 -93.1(7) . .
N2 Zn2 N1 C1 -177.2(5) . .
N4 Zn2 N1 C1 -30.6(5) . .
N3 Zn2 N1 Zn1 13.3(4) . .
N2 Zn2 N1 Zn1 -70.8(4) . .
N4 Zn2 N1 Zn1 75.8(4) . .
N3 Zn1 N2 C9 -20.4(5) . .
N4 Zn1 N2 C9 -119.5(6) . .
N1 Zn1 N2 C9 -177.0(5) . .
O1 Zn1 N2 C9 81.1(5) . .
N3 Zn1 N2 C6 170.5(5) . .
N4 Zn1 N2 C6 71.4(7) . .
N1 Zn1 N2 C6 13.9(5) . .
O1 Zn1 N2 C6 -88.0(5) . .
N3 Zn1 N2 Zn2 74.8(4) . .
N4 Zn1 N2 Zn2 -24.3(5) . .
N1 Zn1 N2 Zn2 -81.8(4) . .
O1 Zn1 N2 Zn2 176.3(3) . .
N3 Zn2 N2 C9 33.9(7) . .
N4 Zn2 N2 C9 119.5(6) . .
N1 Zn2 N2 C9 173.1(5) . .
N3 Zn2 N2 C6 -177.6(5) . .
N4 Zn2 N2 C6 -92.1(8) . .
N1 Zn2 N2 C6 -38.4(6) . .
N3 Zn2 N2 Zn1 -70.5(4) . .
N4 Zn2 N2 Zn1 15.0(4) . .
N1 Zn2 N2 Zn1 68.7(4) . .
N2 Zn1 N3 C11 20.3(5) . .
N4 Zn1 N3 C11 175.4(5) . .
N1 Zn1 N3 C11 120.5(6) . .
O1 Zn1 N3 C11 -82.7(5) . .
N2 Zn1 N3 C14 -170.4(5) . .
N4 Zn1 N3 C14 -15.2(5) . .
N1 Zn1 N3 C14 -70.2(8) . .
O1 Zn1 N3 C14 86.6(5) . .
N2 Zn1 N3 Zn2 -77.3(4) . .
N4 Zn1 N3 Zn2 77.9(4) . .
N1 Zn1 N3 Zn2 22.9(6) . .
O1 Zn1 N3 Zn2 179.8(4) . .
N2 Zn2 N3 C11 -34.9(7) . .
N4 Zn2 N3 C11 -174.3(5) . .
N1 Zn2 N3 C11 -116.3(6) . .
N2 Zn2 N3 C14 177.7(5) . .
N4 Zn2 N3 C14 38.3(6) . .
N1 Zn2 N3 C14 96.4(7) . .
N2 Zn2 N3 Zn1 68.4(4) . .
N4 Zn2 N3 Zn1 -71.0(4) . .
N1 Zn2 N3 Zn1 -13.0(3) . .
N3 Zn1 N4 C16 16.1(6) . .
N2 Zn1 N4 C16 116.5(6) . .
N1 Zn1 N4 C16 176.3(6) . .
O1 Zn1 N4 C16 -84.2(6) . .
N3 Zn1 N4 C19 -169.6(5) . .
N2 Zn1 N4 C19 -69.3(7) . .
N1 Zn1 N4 C19 -9.5(4) . .
O1 Zn1 N4 C19 90.1(5) . .
N3 Zn1 N4 Zn2 -75.9(4) . .
N2 Zn1 N4 Zn2 24.4(5) . .
N1 Zn1 N4 Zn2 84.3(4) . .
O1 Zn1 N4 Zn2 -176.2(3) . .
N3 Zn2 N4 C16 -40.4(6) . .
N2 Zn2 N4 C16 -127.7(6) . .
N1 Zn2 N4 C16 175.3(5) . .
N3 Zn2 N4 C19 174.7(5) . .
N2 Zn2 N4 C19 87.4(7) . .
N1 Zn2 N4 C19 30.4(5) . .
N3 Zn2 N4 Zn1 72.4(4) . .
N2 Zn2 N4 Zn1 -14.9(4) . .
N1 Zn2 N4 Zn1 -71.9(3) . .
C4 N1 C1 C19 173.8(5) . .
Zn1 N1 C1 C19 -6.9(7) . .
Zn2 N1 C1 C19 26.4(7) . .
C4 N1 C1 C2 -4.2(7) . .
Zn1 N1 C1 C2 175.1(4) . .
Zn2 N1 C1 C2 -151.6(5) . .
N1 C1 C2 C3 2.7(6) . .
C19 C1 C2 C3 -174.4(7) . .
N1 C1 C2 C18 -177.3(6) . 3_556
C19 C1 C2 C18 5.6(12) . 3_556
C18 C2 C3 C4 179.7(5) 3_556 .
C1 C2 C3 C4 -0.3(6) . .
C1 N1 C4 C3 4.0(7) . .
Zn1 N1 C4 C3 -175.2(4) . .
Zn2 N1 C4 C3 146.6(5) . .
C1 N1 C4 C5 -173.0(5) . .
Zn1 N1 C4 C5 7.8(9) . .
Zn2 N1 C4 C5 -30.5(8) . .
C2 C3 C4 N1 -2.2(7) . .
C2 C3 C4 C5 174.5(6) . .
N1 C4 C5 C6 2.6(9) . .
C3 C4 C5 C6 -173.7(6) . .
N1 C4 C5 C20 178.9(5) . .
C3 C4 C5 C20 2.6(9) . .
C9 N2 C6 C5 179.9(6) . .
Zn1 N2 C6 C5 -9.8(9) . .
Zn2 N2 C6 C5 28.6(9) . .
C9 N2 C6 C7 -1.2(7) . .
Zn1 N2 C6 C7 169.0(4) . .
Zn2 N2 C6 C7 -152.5(6) . .
C4 C5 C6 N2 -1.5(10) . .
C20 C5 C6 N2 -177.7(5) . .
C4 C5 C6 C7 179.9(6) . .
C20 C5 C6 C7 3.6(10) . .
N2 C6 C7 C8 0.6(7) . .
C5 C6 C7 C8 179.4(6) . .
C6 C7 C8 C9 0.2(8) . .
C6 N2 C9 C10 -177.0(6) . .
Zn1 N2 C9 C10 12.3(8) . .
Zn2 N2 C9 C10 -24.5(9) . .
C6 N2 C9 C8 1.3(7) . .
Zn1 N2 C9 C8 -169.4(4) . .
Zn2 N2 C9 C8 153.9(5) . .
C7 C8 C9 N2 -0.9(8) . .
C7 C8 C9 C10 177.3(6) . .
N2 C9 C10 C11 3.7(10) . .
C8 C9 C10 C11 -174.3(6) . .
N2 C9 C10 C26 -171.6(6) . .
C8 C9 C10 C26 10.4(10) . .
C14 N3 C11 C10 177.3(6) . .
Zn1 N3 C11 C10 -11.7(9) . .
Zn2 N3 C11 C10 26.1(9) . .
C14 N3 C11 C12 -0.6(7) . .
Zn1 N3 C11 C12 170.4(4) . .
Zn2 N3 C11 C12 -151.8(5) . .
C9 C10 C11 N3 -4.0(11) . .
C26 C10 C11 N3 171.3(6) . .
C9 C10 C11 C12 173.4(6) . .
C26 C10 C11 C12 -11.3(10) . .
N3 C11 C12 C13 0.0(7) . .
C10 C11 C12 C13 -177.8(6) . .
C11 C12 C13 C14 0.5(7) . .
C11 N3 C14 C15 -178.9(6) . .
Zn1 N3 C14 C15 10.6(9) . .
Zn2 N3 C14 C15 -27.9(9) . .
C11 N3 C14 C13 0.9(7) . .
Zn1 N3 C14 C13 -169.7(4) . .
Zn2 N3 C14 C13 151.8(6) . .
C12 C13 C14 N3 -0.9(7) . .
C12 C13 C14 C15 178.9(6) . .
N3 C14 C15 C16 0.9(10) . .
C13 C14 C15 C16 -178.8(6) . .
N3 C14 C15 C32 179.4(6) . .
C13 C14 C15 C32 -0.2(10) . .
C19 N4 C16 C17 -2.5(7) . .
Zn1 N4 C16 C17 172.0(4) . .
Zn2 N4 C16 C17 -148.8(5) . .
C19 N4 C16 C15 174.6(5) . .
Zn1 N4 C16 C15 -10.8(9) . .
Zn2 N4 C16 C15 28.3(8) . .
C14 C15 C16 N4 -1.0(10) . .
C32 C15 C16 N4 -179.6(5) . .
C14 C15 C16 C17 175.4(6) . .
C32 C15 C16 C17 -3.2(10) . .
N4 C16 C17 C18 1.7(7) . .
C15 C16 C17 C18 -175.0(6) . .
C16 C17 C18 C2 179.7(5) . 3_556
C16 C17 C18 C19 -0.3(6) . .
C16 N4 C19 C1 -176.0(5) . .
Zn1 N4 C19 C1 8.6(7) . .
Zn2 N4 C19 C1 -26.2(7) . .
C16 N4 C19 C18 2.2(7) . .
Zn1 N4 C19 C18 -173.1(4) . .
Zn2 N4 C19 C18 152.1(5) . .
N1 C1 C19 N4 -1.1(7) . .
C2 C1 C19 N4 175.9(7) . .
N1 C1 C19 C18 -178.5(7) . .
C2 C1 C19 C18 -1.6(14) . .
C17 C18 C19 N4 -1.1(6) . .
C2 C18 C19 N4 178.9(6) 3_556 .
C17 C18 C19 C1 176.4(7) . .
C2 C18 C19 C1 -3.6(12) 3_556 .
C6 C5 C20 C21 -113.3(6) . .
C4 C5 C20 C21 70.2(7) . .
C6 C5 C20 C25 69.3(8) . .
C4 C5 C20 C25 -107.3(7) . .
C25 C20 C21 F1 178.6(5) . .
C5 C20 C21 F1 1.0(8) . .
C25 C20 C21 C22 -1.8(8) . .
C5 C20 C21 C22 -179.3(5) . .
F1 C21 C22 F2 1.4(8) . .
C20 C21 C22 F2 -178.2(5) . .
F1 C21 C22 C23 -177.5(5) . .
C20 C21 C22 C23 2.8(8) . .
F2 C22 C23 F3 -0.8(9) . .
C21 C22 C23 F3 178.2(5) . .
F2 C22 C23 C24 178.9(5) . .
C21 C22 C23 C24 -2.1(9) . .
F3 C23 C24 F4 -0.8(10) . .
C22 C23 C24 F4 179.5(6) . .
F3 C23 C24 C25 -179.8(6) . .
C22 C23 C24 C25 0.5(10) . .
F4 C24 C25 F5 1.1(10) . .
C23 C24 C25 F5 -180.0(6) . .
F4 C24 C25 C20 -178.4(6) . .
C23 C24 C25 C20 0.5(10) . .
C21 C20 C25 F5 -179.4(5) . .
C5 C20 C25 F5 -1.9(9) . .
C21 C20 C25 C24 0.1(9) . .
C5 C20 C25 C24 177.6(6) . .
C9 C10 C26 C31 -78.5(10) . .
C11 C10 C26 C31 105.8(10) . .
C9 C10 C26 C27 92.4(8) . .
C11 C10 C26 C27 -83.4(8) . .
C31 C26 C27 F6 176.6(8) . .
C10 C26 C27 F6 4.8(10) . .
C31 C26 C27 C28 -5.8(11) . .
C10 C26 C27 C28 -177.5(6) . .
C26 C27 C28 C29 3.9(11) . .
F6 C27 C28 C29 -178.4(7) . .
C26 C27 C28 F7 178.9(6) . .
F6 C27 C28 F7 -3.5(10) . .
F7 C28 C29 F8 3.6(13) . .
C27 C28 C29 F8 178.7(8) . .
F7 C28 C29 C30 -176.1(10) . .
C27 C28 C29 C30 -1.0(14) . .
C28 C29 C30 F9 179.4(11) . .
F8 C29 C30 F9 -0.2(19) . .
C28 C29 C30 C31 0.6(18) . .
F8 C29 C30 C31 -179.1(11) . .
C27 C26 C31 F10 -179.6(10) . .
C10 C26 C31 F10 -8.1(16) . .
C27 C26 C31 C30 5.3(16) . .
C10 C26 C31 C30 176.8(11) . .
F9 C30 C31 C26 178.2(12) . .
C29 C30 C31 C26 -3(2) . .
F9 C30 C31 F10 3(2) . .
C29 C30 C31 F10 -178.2(12) . .
C14 C15 C32 C37 -77.4(8) . .
C16 C15 C32 C37 101.3(7) . .
C14 C15 C32 C33 107.2(7) . .
C16 C15 C32 C33 -74.1(8) . .
C37 C32 C33 F11 -178.3(6) . .
C15 C32 C33 F11 -2.7(9) . .
C37 C32 C33 C34 0.8(10) . .
C15 C32 C33 C34 176.4(6) . .
F11 C33 C34 F12 -1.4(10) . .
C32 C33 C34 F12 179.5(6) . .
F11 C33 C34 C35 179.1(6) . .
C32 C33 C34 C35 0.0(11) . .
F12 C34 C35 F13 -0.3(10) . .
C33 C34 C35 F13 179.2(6) . .
F12 C34 C35 C36 179.6(7) . .
C33 C34 C35 C36 -0.9(11) . .
F13 C35 C36 F14 -0.3(10) . .
C34 C35 C36 F14 179.8(7) . .
F13 C35 C36 C37 -179.0(6) . .
C34 C35 C36 C37 1.1(11) . .
C33 C32 C37 F15 179.5(6) . .
C15 C32 C37 F15 3.9(9) . .
C33 C32 C37 C36 -0.6(9) . .
C15 C32 C37 C36 -176.2(6) . .
F14 C36 C37 F15 0.8(10) . .
C35 C36 C37 F15 179.5(6) . .
F14 C36 C37 C32 -179.0(6) . .
C35 C36 C37 C32 -0.3(10) . .
N7 Zn3 N5 C38 -70.7(7) . .
N6 Zn3 N5 C38 -170.7(5) . .
N8 Zn3 N5 C38 -11.2(4) . .
O2 Zn3 N5 C38 87.9(5) . .
N7 Zn3 N5 C41 119.7(6) . .
N6 Zn3 N5 C41 19.6(5) . .
N8 Zn3 N5 C41 179.2(6) . .
O2 Zn3 N5 C41 -81.8(5) . .
N7 Zn3 N5 Zn4 23.1(5) . .
N6 Zn3 N5 Zn4 -77.0(4) . .
N8 Zn3 N5 Zn4 82.6(4) . .
O2 Zn3 N5 Zn4 -178.4(4) . .
N7 Zn4 N5 C38 87.5(8) . .
N6 Zn4 N5 C38 174.5(5) . .
N8 Zn4 N5 C38 28.6(5) . .
N7 Zn4 N5 C41 -123.2(6) . .
N6 Zn4 N5 C41 -36.3(7) . .
N8 Zn4 N5 C41 177.9(5) . .
N7 Zn4 N5 Zn3 -14.6(4) . .
N6 Zn4 N5 Zn3 72.4(4) . .
N8 Zn4 N5 Zn3 -73.5(3) . .
N7 Zn3 N6 C43 -173.5(5) . .
N8 Zn3 N6 C43 -73.2(7) . .
N5 Zn3 N6 C43 -18.2(5) . .
O2 Zn3 N6 C43 82.7(5) . .
N7 Zn3 N6 C46 15.4(5) . .
N8 Zn3 N6 C46 115.7(5) . .
N5 Zn3 N6 C46 170.7(5) . .
O2 Zn3 N6 C46 -88.3(5) . .
N7 Zn3 N6 Zn4 -75.3(4) . .
N8 Zn3 N6 Zn4 25.0(5) . .
N5 Zn3 N6 Zn4 80.0(4) . .
O2 Zn3 N6 Zn4 -179.1(4) . .
N7 Zn4 N6 C43 175.0(5) . .
N5 Zn4 N6 C43 34.9(6) . .
N8 Zn4 N6 C43 90.3(8) . .
N7 Zn4 N6 C46 -38.4(6) . .
N5 Zn4 N6 C46 -178.6(4) . .
N8 Zn4 N6 C46 -123.2(6) . .
N7 Zn4 N6 Zn3 69.9(4) . .
N5 Zn4 N6 Zn3 -70.3(4) . .
N8 Zn4 N6 Zn3 -14.8(4) . .
N6 Zn3 N7 C48 -16.4(5) . .
N8 Zn3 N7 C48 -172.3(5) . .
N5 Zn3 N7 C48 -115.1(5) . .
O2 Zn3 N7 C48 86.5(5) . .
N6 Zn3 N7 C51 174.8(5) . .
N8 Zn3 N7 C51 18.9(5) . .
N5 Zn3 N7 C51 76.1(7) . .
O2 Zn3 N7 C51 -82.3(5) . .
N6 Zn3 N7 Zn4 75.3(4) . .
N8 Zn3 N7 Zn4 -80.5(4) . .
N5 Zn3 N7 Zn4 -23.3(5) . .
O2 Zn3 N7 Zn4 178.2(4) . .
N6 Zn4 N7 C48 37.9(6) . .
N5 Zn4 N7 C48 122.3(6) . .
N8 Zn4 N7 C48 177.4(5) . .
N6 Zn4 N7 C51 -173.7(5) . .
N5 Zn4 N7 C51 -89.4(8) . .
N8 Zn4 N7 C51 -34.2(6) . .
N6 Zn4 N7 Zn3 -69.9(4) . .
N5 Zn4 N7 Zn3 14.4(4) . .
N8 Zn4 N7 Zn3 69.5(3) . .
N7 Zn3 N8 C56 168.7(4) . .
N6 Zn3 N8 C56 67.2(7) . .
N5 Zn3 N8 C56 10.1(4) . .
O2 Zn3 N8 C56 -88.8(4) . .
N7 Zn3 N8 C53 -17.2(5) . .
N6 Zn3 N8 C53 -118.7(6) . .
N5 Zn3 N8 C53 -175.8(6) . .
O2 Zn3 N8 C53 85.3(5) . .
N7 Zn3 N8 Zn4 76.9(4) . .
N6 Zn3 N8 Zn4 -24.7(5) . .
N5 Zn3 N8 Zn4 -81.8(4) . .
O2 Zn3 N8 Zn4 179.4(3) . .
N7 Zn4 N8 C56 -176.2(5) . .
N6 Zn4 N8 C56 -88.8(7) . .
N5 Zn4 N8 C56 -29.6(5) . .
N7 Zn4 N8 C53 38.0(7) . .
N6 Zn4 N8 C53 125.4(6) . .
N5 Zn4 N8 C53 -175.4(5) . .
N7 Zn4 N8 Zn3 -72.3(4) . .
N6 Zn4 N8 Zn3 15.1(4) . .
N5 Zn4 N8 Zn3 74.3(4) . .
C41 N5 C38 C39 0.3(7) . .
Zn3 N5 C38 C39 -171.4(4) . .
Zn4 N5 C38 C39 154.6(5) . .
C41 N5 C38 C56 -178.0(5) . .
Zn3 N5 C38 C56 10.4(7) . .
Zn4 N5 C38 C56 -23.7(7) . .
N5 C38 C39 C40 0.1(6) . .
C56 C38 C39 C40 177.5(7) . .
N5 C38 C39 C55 178.9(5) . 3_656
C56 C38 C39 C55 -3.6(11) . 3_656
C55 C39 C40 C41 -179.3(5) 3_656 .
C38 C39 C40 C41 -0.3(6) . .
C38 N5 C41 C40 -0.5(7) . .
Zn3 N5 C41 C40 169.8(4) . .
Zn4 N5 C41 C40 -151.1(5) . .
C38 N5 C41 C42 177.7(5) . .
Zn3 N5 C41 C42 -12.0(9) . .
Zn4 N5 C41 C42 27.2(9) . .
C39 C40 C41 N5 0.5(7) . .
C39 C40 C41 C42 -177.4(6) . .
N5 C41 C42 C43 -4.0(9) . .
C40 C41 C42 C43 173.7(6) . .
N5 C41 C42 C57 173.9(5) . .
C40 C41 C42 C57 -8.4(10) . .
C46 N6 C43 C42 -176.9(5) . .
Zn3 N6 C43 C42 11.0(8) . .
Zn4 N6 C43 C42 -27.8(9) . .
C46 N6 C43 C44 1.5(7) . .
Zn3 N6 C43 C44 -170.6(4) . .
Zn4 N6 C43 C44 150.5(5) . .
C41 C42 C43 N6 4.4(10) . .
C57 C42 C43 N6 -173.5(5) . .
C41 C42 C43 C44 -173.7(6) . .
C57 C42 C43 C44 8.5(9) . .
N6 C43 C44 C45 -0.9(7) . .
C42 C43 C44 C45 177.4(6) . .
C43 C44 C45 C46 0.0(7) . .
C43 N6 C46 C47 178.7(5) . .
Zn3 N6 C46 C47 -8.9(8) . .
Zn4 N6 C46 C47 27.3(8) . .
C43 N6 C46 C45 -1.5(6) . .
Zn3 N6 C46 C45 171.0(4) . .
Zn4 N6 C46 C45 -152.8(5) . .
C44 C45 C46 N6 0.9(7) . .
C44 C45 C46 C47 -179.3(6) . .
N6 C46 C47 C48 -2.5(10) . .
C45 C46 C47 C48 177.7(6) . .
N6 C46 C47 C63 179.9(5) . .
C45 C46 C47 C63 0.0(9) . .
C51 N7 C48 C47 -178.7(5) . .
Zn3 N7 C48 C47 10.9(8) . .
Zn4 N7 C48 C47 -25.8(8) . .
C51 N7 C48 C49 1.5(7) . .
Zn3 N7 C48 C49 -169.0(4) . .
Zn4 N7 C48 C49 154.4(5) . .
C46 C47 C48 N7 1.5(10) . .
C63 C47 C48 N7 179.1(5) . .
C46 C47 C48 C49 -178.7(6) . .
C63 C47 C48 C49 -1.1(9) . .
N7 C48 C49 C50 -0.8(7) . .
C47 C48 C49 C50 179.4(6) . .
C48 C49 C50 C51 -0.1(7) . .
C48 N7 C51 C52 176.1(6) . .
Zn3 N7 C51 C52 -13.8(8) . .
Zn4 N7 C51 C52 25.1(9) . .
C48 N7 C51 C50 -1.6(7) . .
Zn3 N7 C51 C50 168.6(4) . .
Zn4 N7 C51 C50 -152.6(5) . .
C49 C50 C51 N7 1.0(7) . .
C49 C50 C51 C52 -176.6(6) . .
N7 C51 C52 C53 -2.2(10) . .
C50 C51 C52 C53 175.0(6) . .
N7 C51 C52 C69 178.2(5) . .
C50 C51 C52 C69 -4.5(9) . .
C56 N8 C53 C52 -177.0(5) . .
Zn3 N8 C53 C52 8.5(8) . .
Zn4 N8 C53 C52 -29.9(8) . .
C56 N8 C53 C54 2.4(7) . .
Zn3 N8 C53 C54 -172.1(4) . .
Zn4 N8 C53 C54 149.5(5) . .
C51 C52 C53 N8 5.0(9) . .
C69 C52 C53 N8 -175.4(5) . .
C51 C52 C53 C54 -174.2(6) . .
C69 C52 C53 C54 5.4(9) . .
N8 C53 C54 C55 -1.1(6) . .
C52 C53 C54 C55 178.2(6) . .
C53 C54 C55 C39 178.9(5) . 3_656
C53 C54 C55 C56 -0.4(6) . .
C53 N8 C56 C55 -2.6(7) . .
Zn3 N8 C56 C55 172.6(4) . .
Zn4 N8 C56 C55 -153.5(5) . .
C53 N8 C56 C38 177.3(5) . .
Zn3 N8 C56 C38 -7.5(6) . .
Zn4 N8 C56 C38 26.4(7) . .
C54 C55 C56 N8 1.8(6) . .
C39 C55 C56 N8 -177.4(5) 3_656 .
C54 C55 C56 C38 -178.1(7) . .
C39 C55 C56 C38 2.8(11) 3_656 .
N5 C38 C56 N8 -1.8(7) . .
C39 C38 C56 N8 -179.2(7) . .
N5 C38 C56 C55 178.0(6) . .
C39 C38 C56 C55 0.7(13) . .
C41 C42 C57 C62 -107.3(6) . .
C43 C42 C57 C62 70.7(7) . .
C41 C42 C57 C58 70.7(7) . .
C43 C42 C57 C58 -111.3(6) . .
C62 C57 C58 F16 179.6(5) . .
C42 C57 C58 F16 1.5(7) . .
C62 C57 C58 C59 -0.2(8) . .
C42 C57 C58 C59 -178.3(5) . .
F16 C58 C59 C60 -178.3(5) . .
C57 C58 C59 C60 1.5(8) . .
F16 C58 C59 F17 1.1(8) . .
C57 C58 C59 F17 -179.0(5) . .
F17 C59 C60 F18 -1.2(9) . .
C58 C59 C60 F18 178.2(5) . .
F17 C59 C60 C61 178.7(6) . .
C58 C59 C60 C61 -1.9(9) . .
F18 C60 C61 F19 0.3(10) . .
C59 C60 C61 F19 -179.6(6) . .
F18 C60 C61 C62 -179.2(6) . .
C59 C60 C61 C62 1.0(10) . .
F19 C61 C62 F20 0.1(10) . .
C60 C61 C62 F20 179.6(6) . .
F19 C61 C62 C57 -179.1(6) . .
C60 C61 C62 C57 0.4(10) . .
C58 C57 C62 F20 -179.9(5) . .
C42 C57 C62 F20 -1.8(8) . .
C58 C57 C62 C61 -0.7(8) . .
C42 C57 C62 C61 177.4(6) . .
C48 C47 C63 C68 97.0(7) . .
C46 C47 C63 C68 -85.1(7) . .
C48 C47 C63 C64 -86.2(7) . .
C46 C47 C63 C64 91.7(7) . .
C68 C63 C64 F21 179.0(6) . .
C47 C63 C64 F21 2.1(9) . .
C68 C63 C64 C65 -2.5(10) . .
C47 C63 C64 C65 -179.4(6) . .
F21 C64 C65 F22 -1.4(10) . .
C63 C64 C65 F22 -180.0(6) . .
F21 C64 C65 C66 -179.7(7) . .
C63 C64 C65 C66 1.8(11) . .
F22 C65 C66 F23 1.7(11) . .
C64 C65 C66 F23 179.9(7) . .
F22 C65 C66 C67 -178.6(8) . .
C64 C65 C66 C67 -0.4(12) . .
F23 C66 C67 F24 -0.3(13) . .
C65 C66 C67 F24 180.0(8) . .
F23 C66 C67 C68 179.4(8) . .
C65 C66 C67 C68 -0.3(13) . .
C64 C63 C68 F25 -179.6(6) . .
C47 C63 C68 F25 -2.7(10) . .
C64 C63 C68 C67 1.8(10) . .
C47 C63 C68 C67 178.7(7) . .
F24 C67 C68 F25 0.6(13) . .
C66 C67 C68 F25 -179.1(8) . .
F24 C67 C68 C63 179.3(7) . .
C66 C67 C68 C63 -0.4(13) . .
C51 C52 C69 C70 100.4(7) . .
C53 C52 C69 C70 -79.2(7) . .
C51 C52 C69 C74 -82.7(7) . .
C53 C52 C69 C74 97.7(6) . .
C74 C69 C70 F26 -179.0(6) . .
C52 C69 C70 F26 -2.0(9) . .
C74 C69 C70 C71 0.0(9) . .
C52 C69 C70 C71 177.0(6) . .
F26 C70 C71 F27 -0.8(10) . .
C69 C70 C71 F27 -179.8(6) . .
F26 C70 C71 C72 179.3(6) . .
C69 C70 C71 C72 0.3(10) . .
F27 C71 C72 F28 -1.1(10) . .
C70 C71 C72 F28 178.8(6) . .
F27 C71 C72 C73 179.6(6) . .
C70 C71 C72 C73 -0.5(10) . .
F28 C72 C73 F29 -0.2(9) . .
C71 C72 C73 F29 179.1(6) . .
F28 C72 C73 C74 -178.9(6) . .
C71 C72 C73 C74 0.4(10) . .
F29 C73 C74 F30 0.9(9) . .
C72 C73 C74 F30 179.6(6) . .
F29 C73 C74 C69 -178.9(6) . .
C72 C73 C74 C69 -0.2(10) . .
C70 C69 C74 F30 -179.8(5) . .
C52 C69 C74 F30 3.1(8) . .
C70 C69 C74 C73 0.0(9) . .
C52 C69 C74 C73 -177.1(5) . .
N3 Zn1 O1 C78 -56.2(5) . .
N2 Zn1 O1 C78 -153.5(4) . .
N4 Zn1 O1 C78 35.3(5) . .
N1 Zn1 O1 C78 114.4(4) . .
N3 Zn1 O1 C75 160.3(4) . .
N2 Zn1 O1 C75 63.0(4) . .
N4 Zn1 O1 C75 -108.2(4) . .
N1 Zn1 O1 C75 -29.1(4) . .
C78 O1 C75 C76 -57.0(7) . .
Zn1 O1 C75 C76 89.4(6) . .
O1 C75 C76 O2 57.1(7) . .
C75 C76 O2 C77 -57.7(7) . .
C75 C76 O2 Zn3 93.3(5) . .
N7 Zn3 O2 C77 21.3(5) . .
N6 Zn3 O2 C77 119.3(5) . .
N8 Zn3 O2 C77 -70.6(5) . .
N5 Zn3 O2 C77 -149.6(4) . .
N7 Zn3 O2 C76 -126.5(4) . .
N6 Zn3 O2 C76 -28.4(4) . .
N8 Zn3 O2 C76 141.6(4) . .
N5 Zn3 O2 C76 62.6(4) . .
C76 O2 C77 C78 57.1(7) . .
Zn3 O2 C77 C78 -93.5(6) . .
C75 O1 C78 C77 57.5(7) . .
Zn1 O1 C78 C77 -89.0(6) . .
O2 C77 C78 O1 -57.1(7) . .
C110 C79 C80 C81 -1.5(19) . .
C79 C80 C81 C102 -157(7) . .
C79 C80 C81 C110 1.4(17) . .
C79 C80 C81 C82 176.4(11) . .
C102 C81 C82 C83 5.3(16) . .
C110 C81 C82 C83 -169(5) . .
C80 C81 C82 C83 178.2(10) . .
C81 C82 C83 C109 163(8) . .
C81 C82 C83 C102 -5.1(15) . .
C81 C82 C83 C84 -178.8(9) . .
C109 C83 C84 C85 -2.3(16) . .
C102 C83 C84 C85 161(6) . .
C82 C83 C84 C85 -178.3(11) . .
C83 C84 C85 C109 2.2(15) . .
C86 C87 C88 C104 -173(2) . .
C86 C87 C88 C89 66.9(14) . .
C104 C88 C89 C90 40.4(17) . .
C87 C88 C89 C90 -165.9(11) . .
C88 C89 C90 C91 -57.8(18) . .
C89 C90 C91 C92 -68.4(16) . .
C93 C94 C95 C96 169.5(17) . .
C94 C95 C96 C97 169.9(15) . .
C95 C96 C97 C98 115(3) . .
C95 C96 C97 C100 27(3) . .
C96 C97 C98 C99 -170(2) . .
C100 C97 C98 C99 -52(2) . .
C98 C97 C100 C101 110(5) . .
C96 C97 C100 C101 -138(5) . .
C110 C81 C102 C83 169(3) . .
C80 C81 C102 C83 -39(10) . .
C82 C81 C102 C83 -8(2) . .
C109 C83 C102 C81 -168(3) . .
C82 C83 C102 C81 8(2) . .
C84 C83 C102 C81 33(9) . .
C89 C88 C104 C105 21.4(16) . .
C87 C88 C104 C105 -106(3) . .
C88 C104 C105 C106 -135.8(19) . .
C104 C105 C106 C103 85(2) . .
C84 C85 C109 C83 -3(2) . .
C102 C83 C109 C85 -171(2) . .
C82 C83 C109 C85 24(10) . .
C84 C83 C109 C85 2.8(19) . .
C80 C79 C110 C81 3(3) . .
C102 C81 C110 C79 169(4) . .
C80 C81 C110 C79 -3(3) . .
C82 C81 C110 C79 -18(9) . .
