#------------------------------------------------------------------------------
#$Date: 2026-05-12 03:35:23 +0200 (Tue, 12 May 2026) $
#$Revision: 305930 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/7/25/19/7251975.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_7251975
loop_
_publ_author_name
'Jeaydi, Towhidi Illius'
'Chen, Wei-Yuan'
'Tedesco, Michael D.'
'Schrage, Briana R.'
'Nemykin, Victor N.'
'Ziegler, Christopher J.'
_publ_section_title
;
 Closing and coupling: metal linked biliazine dimers
;
_journal_issue                   27
_journal_name_full               'RSC Advances'
_journal_page_first              24747
_journal_page_last               24751
_journal_paper_doi               10.1039/D6RA01668E
_journal_volume                  16
_journal_year                    2026
_chemical_formula_moiety         'C47 H33 N19 O2 Zn3, 2(C3 H7 N O)'
_chemical_formula_sum            'C53 H47 N21 O4 Zn3'
_chemical_formula_weight         1238.22
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2026-04-01 deposited with the CCDC.	2026-05-04 downloaded from the CCDC.
;
_cell_angle_alpha                91.281(8)
_cell_angle_beta                 92.138(7)
_cell_angle_gamma                92.972(7)
_cell_formula_units_Z            2
_cell_length_a                   11.064(2)
_cell_length_b                   13.595(3)
_cell_length_c                   17.394(4)
_cell_measurement_reflns_used    9592
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.48
_cell_measurement_theta_min      2.61
_cell_volume                     2610.2(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0872
_diffrn_reflns_av_unetI/netI     0.0450
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            116812
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.659
_diffrn_reflns_theta_min         1.844
_exptl_absorpt_coefficient_mu    1.438
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.321
_exptl_crystal_size_mid          0.292
_exptl_crystal_size_min          0.205
_refine_diff_density_max         0.468
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     737
_refine_ls_number_reflns         13278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0478P)²+3.2574P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0982
_refine_ls_wR_factor_ref         0.1078
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11111
_reflns_number_total             13278
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6ra01668e2.cif
_cod_data_source_block           1a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_cell_volume        2610.1(10)
_cod_database_code               7251975
_shelx_shelxl_version_number     2019/1
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.655
_shelx_estimated_absorpt_t_max   0.757
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5034(2) 0.65502(19) 0.18768(14) 0.0230(5) Uani 1 1 d . . . . .
H1 H 0.532379 0.635434 0.140545 0.028 Uiso 1 1 calc R U . . .
C2 C 0.3842(2) 0.64786(17) 0.20655(13) 0.0204(5) Uani 1 1 d . . . . .
H2 H 0.318013 0.623239 0.176226 0.024 Uiso 1 1 calc R U . . .
C3 C 0.38502(19) 0.68606(16) 0.28184(13) 0.0162(4) Uani 1 1 d . . . . .
C4 C 0.27637(19) 0.72825(16) 0.39063(13) 0.0163(4) Uani 1 1 d . . . . .
C5 C 0.1636(2) 0.72963(17) 0.43296(13) 0.0181(4) Uani 1 1 d . . . . .
C6 C 0.0469(2) 0.69043(18) 0.41644(14) 0.0211(5) Uani 1 1 d . . . . .
H6 H 0.027167 0.654952 0.370964 0.025 Uiso 1 1 calc R U . . .
C7 C -0.0391(2) 0.7066(2) 0.47082(15) 0.0246(5) Uani 1 1 d . . . . .
H7 H -0.118188 0.681269 0.461675 0.030 Uiso 1 1 calc R U . . .
C8 C -0.0094(2) 0.7598(2) 0.53873(15) 0.0263(5) Uani 1 1 d . . . . .
H8 H -0.069146 0.769802 0.573850 0.032 Uiso 1 1 calc R U . . .
C9 C 0.1079(2) 0.79846(19) 0.55523(14) 0.0235(5) Uani 1 1 d . . . . .
H9 H 0.127863 0.834043 0.600613 0.028 Uiso 1 1 calc R U . . .
C10 C 0.1930(2) 0.78158(17) 0.50123(13) 0.0179(4) Uani 1 1 d . . . . .
C11 C 0.3228(2) 0.80976(17) 0.50010(13) 0.0175(4) Uani 1 1 d . . . . .
C12 C 0.4903(2) 0.89728(16) 0.55708(13) 0.0169(4) Uani 1 1 d . . . . .
C13 C 0.5404(2) 0.96183(16) 0.62063(13) 0.0173(4) Uani 1 1 d . . . . .
C14 C 0.4874(2) 0.99884(17) 0.68552(13) 0.0214(5) Uani 1 1 d . . . . .
H14 H 0.405633 0.986343 0.694222 0.026 Uiso 1 1 calc R U . . .
C15 C 0.5628(2) 1.05566(18) 0.73693(14) 0.0251(5) Uani 1 1 d . . . . .
H15 H 0.530814 1.082178 0.781034 0.030 Uiso 1 1 calc R U . . .
C16 C 0.6856(2) 1.07357(18) 0.72353(14) 0.0245(5) Uani 1 1 d . . . . .
H16 H 0.734301 1.110110 0.759634 0.029 Uiso 1 1 calc R U . . .
C17 C 0.7362(2) 1.03791(17) 0.65739(14) 0.0217(5) Uani 1 1 d . . . . .
H17 H 0.817448 1.051266 0.647832 0.026 Uiso 1 1 calc R U . . .
C18 C 0.6612(2) 0.98170(16) 0.60616(13) 0.0179(4) Uani 1 1 d . . . . .
C19 C 0.6820(2) 0.93371(16) 0.53175(13) 0.0172(4) Uani 1 1 d . . . . .
C20 C 0.8043(2) 0.90490(17) 0.42694(14) 0.0192(4) Uani 1 1 d . . . . .
C21 C 0.9111(2) 0.92722(18) 0.38927(15) 0.0246(5) Uani 1 1 d . . . . .
H21 H 0.975415 0.970420 0.405484 0.030 Uiso 1 1 calc R U . . .
C22 C 0.8993(2) 0.87058(19) 0.32262(15) 0.0251(5) Uani 1 1 d . . . . .
H22 H 0.956778 0.868868 0.284981 0.030 Uiso 1 1 calc R U . . .
C23 C 0.7439(2) 0.7940(2) 0.09618(15) 0.0258(5) Uani 1 1 d . . . . .
H23 H 0.681717 0.833670 0.109838 0.031 Uiso 1 1 calc R U . . .
C24 C 0.7980(2) 0.79497(19) 0.02672(15) 0.0256(5) Uani 1 1 d . . . . .
H24 H 0.780248 0.833306 -0.015442 0.031 Uiso 1 1 calc R U . . .
C25 C 0.8860(2) 0.72519(17) 0.03351(13) 0.0173(4) Uani 1 1 d . . . . .
C26 C 1.0535(2) 0.65114(16) -0.01740(13) 0.0166(4) Uani 1 1 d . . . . .
C27 C 1.1426(2) 0.64086(17) -0.07728(13) 0.0183(4) Uani 1 1 d . . . . .
C28 C 1.1581(2) 0.68708(18) -0.14688(14) 0.0225(5) Uani 1 1 d . . . . .
H28 H 1.104727 0.732933 -0.164527 0.027 Uiso 1 1 calc R U . . .
C29 C 1.2569(2) 0.6620(2) -0.18919(14) 0.0262(5) Uani 1 1 d . . . . .
H29 H 1.269980 0.692054 -0.235876 0.031 Uiso 1 1 calc R U . . .
C30 C 1.3365(2) 0.59282(19) -0.16304(15) 0.0255(5) Uani 1 1 d . . . . .
H30 H 1.401198 0.577147 -0.192798 0.031 Uiso 1 1 calc R U . . .
C31 C 1.3208(2) 0.54677(18) -0.09319(14) 0.0226(5) Uani 1 1 d . . . . .
H31 H 1.373489 0.500461 -0.075491 0.027 Uiso 1 1 calc R U . . .
C32 C 1.2226(2) 0.57320(16) -0.05109(13) 0.0176(4) Uani 1 1 d . . . . .
C33 C 1.1823(2) 0.54273(16) 0.02468(13) 0.0162(4) Uani 1 1 d . . . . .
C34 C 1.20502(19) 0.44079(16) 0.12826(13) 0.0163(4) Uani 1 1 d . . . . .
C35 C 1.2669(2) 0.35828(16) 0.16280(13) 0.0179(4) Uani 1 1 d . . . . .
C36 C 1.3647(2) 0.30742(19) 0.13911(14) 0.0229(5) Uani 1 1 d . . . . .
H36 H 1.404134 0.323350 0.094409 0.028 Uiso 1 1 calc R U . . .
C37 C 1.4010(2) 0.2315(2) 0.18521(16) 0.0281(5) Uani 1 1 d . . . . .
H37 H 1.466827 0.195988 0.171518 0.034 Uiso 1 1 calc R U . . .
C38 C 1.3406(2) 0.2077(2) 0.25167(17) 0.0299(6) Uani 1 1 d . . . . .
H38 H 1.366118 0.155918 0.281138 0.036 Uiso 1 1 calc R U . . .
C39 C 1.2426(2) 0.26000(19) 0.27492(15) 0.0256(5) Uani 1 1 d . . . . .
H39 H 1.202798 0.244616 0.319601 0.031 Uiso 1 1 calc R U . . .
C40 C 1.2071(2) 0.33568(17) 0.22879(14) 0.0189(4) Uani 1 1 d . . . . .
C41 C 1.1097(2) 0.40494(16) 0.23470(13) 0.0169(4) Uani 1 1 d . . . . .
C42 C 0.9439(2) 0.46562(17) 0.29772(13) 0.0181(4) Uani 1 1 d . . . . .
C43 C 0.8657(2) 0.46163(18) 0.35873(14) 0.0220(5) Uani 1 1 d . . . . .
H43 H 0.865256 0.417873 0.399069 0.026 Uiso 1 1 calc R U . . .
C44 C 0.7898(2) 0.53651(18) 0.34601(14) 0.0218(5) Uani 1 1 d . . . . .
H44 H 0.727229 0.552726 0.377380 0.026 Uiso 1 1 calc R U . . .
C45 C 0.5615(2) 0.63921(17) 0.53234(14) 0.0206(4) Uani 1 1 d . . . . .
H45 H 0.493013 0.672177 0.544811 0.025 Uiso 1 1 calc R U . . .
C46 C 0.7087(3) 0.5216(2) 0.56674(19) 0.0387(7) Uani 1 1 d . . . . .
H46A H 0.685997 0.456171 0.547628 0.058 Uiso 1 1 calc R U . . .
H46B H 0.756359 0.517994 0.613757 0.058 Uiso 1 1 calc R U . . .
H46C H 0.755267 0.555916 0.529293 0.058 Uiso 1 1 calc R U . . .
C47 C 0.5355(3) 0.5512(2) 0.65070(16) 0.0328(6) Uani 1 1 d . . . . .
H47A H 0.468292 0.592664 0.654505 0.049 Uiso 1 1 calc R U . . .
H47B H 0.589340 0.562432 0.694970 0.049 Uiso 1 1 calc R U . . .
H47C H 0.506399 0.483381 0.648358 0.049 Uiso 1 1 calc R U . . .
C48 C 0.2487(2) 0.8150(2) 0.07432(14) 0.0267(5) Uani 1 1 d . . . . .
H48 H 0.241904 0.747626 0.063188 0.032 Uiso 1 1 calc R U . . .
C49 C 0.3557(3) 0.9730(2) 0.05620(18) 0.0350(6) Uani 1 1 d . . . . .
H49A H 0.297013 0.994240 0.091397 0.052 Uiso 1 1 calc R U . . .
H49B H 0.346498 1.006966 0.008724 0.052 Uiso 1 1 calc R U . . .
H49C H 0.435744 0.987412 0.078176 0.052 Uiso 1 1 calc R U . . .
C50 C 0.4163(3) 0.8216(2) -0.0117(2) 0.0392(7) Uani 1 1 d . . . . .
H50A H 0.498415 0.828573 0.008434 0.059 Uiso 1 1 calc R U . . .
H50B H 0.410433 0.853130 -0.060412 0.059 Uiso 1 1 calc R U . . .
H50C H 0.392563 0.752959 -0.018300 0.059 Uiso 1 1 calc R U . . .
C51 C 0.2089(3) 0.9505(2) 0.8109(2) 0.0400(7) Uani 1 1 d . . . . .
H51 H 0.216854 0.940994 0.758293 0.048 Uiso 1 1 calc R U . . .
C52 C 0.0742(3) 0.9577(3) 0.9171(2) 0.0482(8) Uani 1 1 d . . . . .
H52A H 0.032915 0.899473 0.935403 0.072 Uiso 1 1 calc R U . . .
H52B H 0.024904 1.013064 0.924103 0.072 Uiso 1 1 calc R U . . .
H52C H 0.149831 0.969460 0.945572 0.072 Uiso 1 1 calc R U . . .
C53 C -0.0089(3) 0.9224(3) 0.7863(2) 0.0566(10) Uani 1 1 d . . . . .
H53A H -0.062133 0.975868 0.788888 0.085 Uiso 1 1 calc R U . . .
H53B H -0.050433 0.863059 0.802315 0.085 Uiso 1 1 calc R U . . .
H53C H 0.015893 0.913748 0.734398 0.085 Uiso 1 1 calc R U . . .
N1 N 0.57246(17) 0.69439(15) 0.24699(11) 0.0194(4) Uani 1 1 d . . . . .
N2 N 0.49959(16) 0.71427(14) 0.30640(11) 0.0162(4) Uani 1 1 d . . . . .
N3 N 0.28012(16) 0.68998(14) 0.32263(11) 0.0165(4) Uani 1 1 d . . . . .
N4 N 0.37211(16) 0.77524(14) 0.43538(11) 0.0159(4) Uani 1 1 d . . . . .
N5 N 0.37491(17) 0.86356(14) 0.55811(11) 0.0186(4) Uani 1 1 d . . . . .
N6 N 0.57418(17) 0.88151(14) 0.50477(11) 0.0165(4) Uani 1 1 d . . . . .
N7 N 0.78339(18) 0.94430(14) 0.49885(11) 0.0192(4) Uani 1 1 d . . . . .
N8 N 0.73145(17) 0.83874(14) 0.38401(11) 0.0175(4) Uani 1 1 d . . . . .
N9 N 0.79254(18) 0.81789(15) 0.31971(11) 0.0197(4) Uani 1 1 d . . . . .
N10 N 0.79394(17) 0.72741(15) 0.14176(11) 0.0195(4) Uani 1 1 d . . . . .
N11 N 0.88250(16) 0.68311(14) 0.10295(11) 0.0161(4) Uani 1 1 d . . . . .
N12 N 0.96615(17) 0.70923(14) -0.02395(11) 0.0187(4) Uani 1 1 d . . . . .
N13 N 1.08360(16) 0.59044(14) 0.04447(11) 0.0156(4) Uani 1 1 d . . . . .
N14 N 1.24314(17) 0.47590(14) 0.06222(11) 0.0167(4) Uani 1 1 d . . . . .
N15 N 1.11357(17) 0.46832(14) 0.17167(11) 0.0161(4) Uani 1 1 d . . . . .
N16 N 1.03684(17) 0.40225(15) 0.29018(11) 0.0189(4) Uani 1 1 d . . . . .
N17 N 0.91505(16) 0.53935(14) 0.25026(11) 0.0161(4) Uani 1 1 d . . . . .
N18 N 0.81934(17) 0.58310(14) 0.28137(11) 0.0180(4) Uani 1 1 d . . . . .
N19 N 0.6003(2) 0.57406(16) 0.58121(12) 0.0241(4) Uani 1 1 d . . . . .
N20 N 0.3374(2) 0.86718(16) 0.04149(13) 0.0281(5) Uani 1 1 d . . . . .
N21 N 0.0967(2) 0.94453(19) 0.83660(15) 0.0364(6) Uani 1 1 d . . . . .
O1 O 0.60932(15) 0.65990(12) 0.47103(10) 0.0208(3) Uani 1 1 d . . . . .
O2 O 1.09017(14) 0.70681(12) 0.21257(9) 0.0178(3) Uani 1 1 d . . . . .
H2A H 1.126215 0.744035 0.180987 0.027 Uiso 1 1 d R U . . .
H2B H 1.146910 0.686516 0.241538 0.027 Uiso 1 1 d R U . . .
O3 O 0.17497(18) 0.84833(15) 0.11818(11) 0.0306(4) Uani 1 1 d . . . . .
O4 O 0.3028(2) 0.96727(19) 0.84996(15) 0.0475(6) Uani 1 1 d . . . . .
Zn1 Zn 0.55800(2) 0.78443(2) 0.40960(2) 0.01463(7) Uani 1 1 d . . . . .
Zn2 Zn 0.75097(2) 0.70604(2) 0.24803(2) 0.01807(7) Uani 1 1 d . . . . .
Zn3 Zn 1.00323(2) 0.58816(2) 0.15315(2) 0.01397(6) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
N1 C1 C2 110.4(2) . . ?
N1 C1 H1 124.8 . . ?
C2 C1 H1 124.8 . . ?
C1 C2 C3 104.1(2) . . ?
C1 C2 H2 127.9 . . ?
C3 C2 H2 127.9 . . ?
N2 C3 N3 127.7(2) . . ?
N2 C3 C2 110.29(19) . . ?
N3 C3 C2 122.0(2) . . ?
N3 C4 N4 127.9(2) . . ?
N3 C4 C5 122.4(2) . . ?
N4 C4 C5 109.73(19) . . ?
C10 C5 C6 121.3(2) . . ?
C10 C5 C4 105.94(19) . . ?
C6 C5 C4 132.7(2) . . ?
C7 C6 C5 117.0(2) . . ?
C7 C6 H6 121.5 . . ?
C5 C6 H6 121.5 . . ?
C6 C7 C8 121.3(2) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C9 C8 C7 121.4(2) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C10 C9 C8 117.0(2) . . ?
C10 C9 H9 121.5 . . ?
C8 C9 H9 121.5 . . ?
C9 C10 C5 121.9(2) . . ?
C9 C10 C11 131.5(2) . . ?
C5 C10 C11 106.61(19) . . ?
N5 C11 N4 129.3(2) . . ?
N5 C11 C10 119.5(2) . . ?
N4 C11 C10 111.22(19) . . ?
N5 C12 N6 129.8(2) . . ?
N5 C12 C13 119.2(2) . . ?
N6 C12 C13 111.1(2) . . ?
C18 C13 C14 122.3(2) . . ?
C18 C13 C12 106.6(2) . . ?
C14 C13 C12 131.2(2) . . ?
C13 C14 C15 116.6(2) . . ?
C13 C14 H14 121.7 . . ?
C15 C14 H14 121.7 . . ?
C14 C15 C16 121.3(2) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C17 C16 C15 121.2(2) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 H16 119.4 . . ?
C18 C17 C16 117.5(2) . . ?
C18 C17 H17 121.2 . . ?
C16 C17 H17 121.2 . . ?
C13 C18 C17 121.1(2) . . ?
C13 C18 C19 106.33(19) . . ?
C17 C18 C19 132.6(2) . . ?
N7 C19 N6 128.8(2) . . ?
N7 C19 C18 122.0(2) . . ?
N6 C19 C18 109.18(19) . . ?
N8 C20 N7 127.6(2) . . ?
N8 C20 C21 110.4(2) . . ?
N7 C20 C21 122.0(2) . . ?
C22 C21 C20 104.0(2) . . ?
C22 C21 H21 128.0 . . ?
C20 C21 H21 128.0 . . ?
N9 C22 C21 110.2(2) . . ?
N9 C22 H22 124.9 . . ?
C21 C22 H22 124.9 . . ?
N10 C23 C24 110.0(2) . . ?
N10 C23 H23 125.0 . . ?
C24 C23 H23 125.0 . . ?
C23 C24 C25 104.3(2) . . ?
C23 C24 H24 127.8 . . ?
C25 C24 H24 127.8 . . ?
N11 C25 N12 127.7(2) . . ?
N11 C25 C24 110.4(2) . . ?
N12 C25 C24 121.8(2) . . ?
N12 C26 N13 128.7(2) . . ?
N12 C26 C27 122.3(2) . . ?
N13 C26 C27 109.02(19) . . ?
C32 C27 C28 121.1(2) . . ?
C32 C27 C26 106.5(2) . . ?
C28 C27 C26 132.3(2) . . ?
C27 C28 C29 117.3(2) . . ?
C27 C28 H28 121.3 . . ?
C29 C28 H28 121.3 . . ?
C28 C29 C30 121.4(2) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C31 C30 C29 121.2(2) . . ?
C31 C30 H30 119.4 . . ?
C29 C30 H30 119.4 . . ?
C32 C31 C30 116.9(2) . . ?
C32 C31 H31 121.5 . . ?
C30 C31 H31 121.5 . . ?
C27 C32 C31 122.1(2) . . ?
C27 C32 C33 106.58(19) . . ?
C31 C32 C33 131.3(2) . . ?
N14 C33 N13 130.3(2) . . ?
N14 C33 C32 118.8(2) . . ?
N13 C33 C32 110.9(2) . . ?
N14 C34 N15 130.0(2) . . ?
N14 C34 C35 118.87(19) . . ?
N15 C34 C35 111.1(2) . . ?
C40 C35 C36 122.5(2) . . ?
C40 C35 C34 106.34(19) . . ?
C36 C35 C34 131.2(2) . . ?
C35 C36 C37 116.8(2) . . ?
C35 C36 H36 121.6 . . ?
C37 C36 H36 121.6 . . ?
C36 C37 C38 121.1(2) . . ?
C36 C37 H37 119.4 . . ?
C38 C37 H37 119.4 . . ?
C37 C38 C39 121.4(2) . . ?
C37 C38 H38 119.3 . . ?
C39 C38 H38 119.3 . . ?
C40 C39 C38 117.2(2) . . ?
C40 C39 H39 121.4 . . ?
C38 C39 H39 121.4 . . ?
C35 C40 C39 121.0(2) . . ?
C35 C40 C41 106.7(2) . . ?
C39 C40 C41 132.3(2) . . ?
N16 C41 N15 129.3(2) . . ?
N16 C41 C40 121.8(2) . . ?
N15 C41 C40 108.98(19) . . ?
N17 C42 N16 127.2(2) . . ?
N17 C42 C43 110.1(2) . . ?
N16 C42 C43 122.7(2) . . ?
C44 C43 C42 104.6(2) . . ?
C44 C43 H43 127.7 . . ?
C42 C43 H43 127.7 . . ?
N18 C44 C43 109.9(2) . . ?
N18 C44 H44 125.1 . . ?
C43 C44 H44 125.1 . . ?
O1 C45 N19 125.0(2) . . ?
O1 C45 H45 117.5 . . ?
N19 C45 H45 117.5 . . ?
N19 C46 H46A 109.5 . . ?
N19 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
N19 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
N19 C47 H47A 109.5 . . ?
N19 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N19 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O3 C48 N20 125.6(3) . . ?
O3 C48 H48 117.2 . . ?
N20 C48 H48 117.2 . . ?
N20 C49 H49A 109.5 . . ?
N20 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
N20 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N20 C50 H50A 109.5 . . ?
N20 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
N20 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O4 C51 N21 126.4(3) . . ?
O4 C51 H51 116.8 . . ?
N21 C51 H51 116.8 . . ?
N21 C52 H52A 109.5 . . ?
N21 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
N21 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N21 C53 H53A 109.5 . . ?
N21 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
N21 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C1 N1 N2 108.71(18) . . ?
C1 N1 Zn2 123.70(16) . . ?
N2 N1 Zn2 127.28(15) . . ?
C3 N2 N1 106.51(18) . . ?
C3 N2 Zn1 128.55(15) . . ?
N1 N2 Zn1 124.78(14) . . ?
C4 N3 C3 123.77(19) . . ?
C11 N4 C4 106.39(18) . . ?
C11 N4 Zn1 126.52(15) . . ?
C4 N4 Zn1 127.03(15) . . ?
C11 N5 C12 121.7(2) . . ?
C12 N6 C19 106.75(18) . . ?
C12 N6 Zn1 127.21(15) . . ?
C19 N6 Zn1 125.59(15) . . ?
C19 N7 C20 123.7(2) . . ?
N9 N8 C20 106.35(18) . . ?
N9 N8 Zn1 126.65(15) . . ?
C20 N8 Zn1 126.96(15) . . ?
C22 N9 N8 109.02(19) . . ?
C22 N9 Zn2 124.61(16) . . ?
N8 N9 Zn2 124.77(15) . . ?
C23 N10 N11 108.98(19) . . ?
C23 N10 Zn2 124.11(16) . . ?
N11 N10 Zn2 126.81(15) . . ?
C25 N11 N10 106.33(18) . . ?
C25 N11 Zn3 128.82(15) . . ?
N10 N11 Zn3 124.05(14) . . ?
C26 N12 C25 123.4(2) . . ?
C33 N13 C26 106.95(18) . . ?
C33 N13 Zn3 126.23(15) . . ?
C26 N13 Zn3 126.40(15) . . ?
C33 N14 C34 121.00(19) . . ?
C34 N15 C41 106.90(18) . . ?
C34 N15 Zn3 126.92(16) . . ?
C41 N15 Zn3 126.10(14) . . ?
C41 N16 C42 123.6(2) . . ?
C42 N17 N18 106.48(18) . . ?
C42 N17 Zn3 128.70(15) . . ?
N18 N17 Zn3 124.66(15) . . ?
C44 N18 N17 108.96(19) . . ?
C44 N18 Zn2 124.30(15) . . ?
N17 N18 Zn2 126.10(15) . . ?
C45 N19 C46 120.7(2) . . ?
C45 N19 C47 121.4(2) . . ?
C46 N19 C47 117.9(2) . . ?
C48 N20 C50 121.3(2) . . ?
C48 N20 C49 121.0(2) . . ?
C50 N20 C49 117.6(2) . . ?
C51 N21 C52 121.4(3) . . ?
C51 N21 C53 122.6(3) . . ?
C52 N21 C53 116.0(3) . . ?
C45 O1 Zn1 120.32(15) . . ?
Zn3 O2 H2A 109.4 . . ?
Zn3 O2 H2B 109.5 . . ?
H2A O2 H2B 104.4 . . ?
N2 Zn1 N8 101.80(7) . . ?
N2 Zn1 N6 162.85(7) . . ?
N8 Zn1 N6 85.88(7) . . ?
N2 Zn1 O1 98.90(7) . . ?
N8 Zn1 O1 97.70(7) . . ?
N6 Zn1 O1 95.17(7) . . ?
N2 Zn1 N4 84.59(7) . . ?
N8 Zn1 N4 162.65(7) . . ?
N6 Zn1 N4 83.96(7) . . ?
O1 Zn1 N4 97.20(7) . . ?
N10 Zn2 N18 108.28(8) . . ?
N10 Zn2 N9 115.02(9) . . ?
N18 Zn2 N9 113.00(9) . . ?
N10 Zn2 N1 106.00(8) . . ?
N18 Zn2 N1 110.59(8) . . ?
N9 Zn2 N1 103.63(8) . . ?
O2 Zn3 N17 92.88(7) . . ?
O2 Zn3 N11 89.65(7) . . ?
N17 Zn3 N11 103.52(7) . . ?
O2 Zn3 N15 105.60(7) . . ?
N17 Zn3 N15 84.85(7) . . ?
N11 Zn3 N15 162.37(7) . . ?
O2 Zn3 N13 103.49(7) . . ?
N17 Zn3 N13 161.96(7) . . ?
N11 Zn3 N13 84.35(7) . . ?
N15 Zn3 N13 83.51(7) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.345(3) . ?
C1 C2 1.369(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.398(3) . ?
C2 H2 0.9300 . ?
C3 N2 1.356(3) . ?
C3 N3 1.385(3) . ?
C4 N3 1.284(3) . ?
C4 N4 1.408(3) . ?
C4 C5 1.473(3) . ?
C5 C10 1.387(3) . ?
C5 C6 1.389(3) . ?
C6 C7 1.388(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.391(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.391(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.379(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.468(3) . ?
C11 N5 1.328(3) . ?
C11 N4 1.354(3) . ?
C12 N5 1.334(3) . ?
C12 N6 1.346(3) . ?
C12 C13 1.470(3) . ?
C13 C18 1.383(3) . ?
C13 C14 1.388(3) . ?
C14 C15 1.393(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.397(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.387(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.384(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.468(3) . ?
C19 N7 1.281(3) . ?
C19 N6 1.415(3) . ?
C20 N8 1.366(3) . ?
C20 N7 1.382(3) . ?
C20 C21 1.396(3) . ?
C21 C22 1.376(4) . ?
C21 H21 0.9300 . ?
C22 N9 1.348(3) . ?
C22 H22 0.9300 . ?
C23 N10 1.344(3) . ?
C23 C24 1.368(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.398(3) . ?
C24 H24 0.9300 . ?
C25 N11 1.349(3) . ?
C25 N12 1.381(3) . ?
C26 N12 1.283(3) . ?
C26 N13 1.411(3) . ?
C26 C27 1.469(3) . ?
C27 C32 1.382(3) . ?
C27 C28 1.389(3) . ?
C28 C29 1.392(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.394(4) . ?
C29 H29 0.9300 . ?
C30 C31 1.392(4) . ?
C30 H30 0.9300 . ?
C31 C32 1.390(3) . ?
C31 H31 0.9300 . ?
C32 C33 1.469(3) . ?
C33 N14 1.327(3) . ?
C33 N13 1.350(3) . ?
C34 N14 1.329(3) . ?
C34 N15 1.348(3) . ?
C34 C35 1.472(3) . ?
C35 C40 1.379(3) . ?
C35 C36 1.384(3) . ?
C36 C37 1.387(4) . ?
C36 H36 0.9300 . ?
C37 C38 1.393(4) . ?
C37 H37 0.9300 . ?
C38 C39 1.394(3) . ?
C38 H38 0.9300 . ?
C39 C40 1.383(3) . ?
C39 H39 0.9300 . ?
C40 C41 1.472(3) . ?
C41 N16 1.280(3) . ?
C41 N15 1.410(3) . ?
C42 N17 1.356(3) . ?
C42 N16 1.383(3) . ?
C42 C43 1.394(3) . ?
C43 C44 1.369(3) . ?
C43 H43 0.9300 . ?
C44 N18 1.345(3) . ?
C44 H44 0.9300 . ?
C45 O1 1.240(3) . ?
C45 N19 1.318(3) . ?
C45 H45 0.9300 . ?
C46 N19 1.454(4) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 N19 1.459(3) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 O3 1.234(3) . ?
C48 N20 1.335(3) . ?
C48 H48 0.9300 . ?
C49 N20 1.458(3) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 N20 1.446(4) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 O4 1.227(4) . ?
C51 N21 1.334(4) . ?
C51 H51 0.9300 . ?
C52 N21 1.441(4) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 N21 1.448(4) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
N1 N2 1.365(3) . ?
N1 Zn2 1.972(2) . ?
N2 Zn1 2.0791(19) . ?
N4 Zn1 2.1192(19) . ?
N6 Zn1 2.0904(19) . ?
N8 N9 1.360(3) . ?
N8 Zn1 2.0875(19) . ?
N9 Zn2 1.969(2) . ?
N10 N11 1.368(3) . ?
N10 Zn2 1.950(2) . ?
N11 Zn3 2.0869(19) . ?
N13 Zn3 2.1189(19) . ?
N15 Zn3 2.1092(19) . ?
N17 N18 1.364(2) . ?
N17 Zn3 2.0859(19) . ?
N18 Zn2 1.961(2) . ?
O1 Zn1 2.1132(17) . ?
O2 Zn3 2.0701(16) . ?
O2 H2A 0.8513 . ?
O2 H2B 0.8513 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 0.2(3) . . . . ?
C1 C2 C3 N2 -0.2(3) . . . . ?
C1 C2 C3 N3 -178.8(2) . . . . ?
N3 C4 C5 C10 -176.4(2) . . . . ?
N4 C4 C5 C10 2.6(3) . . . . ?
N3 C4 C5 C6 4.1(4) . . . . ?
N4 C4 C5 C6 -176.8(2) . . . . ?
C10 C5 C6 C7 0.7(4) . . . . ?
C4 C5 C6 C7 -179.9(2) . . . . ?
C5 C6 C7 C8 0.1(4) . . . . ?
C6 C7 C8 C9 -0.5(4) . . . . ?
C7 C8 C9 C10 0.0(4) . . . . ?
C8 C9 C10 C5 0.8(4) . . . . ?
C8 C9 C10 C11 -179.1(2) . . . . ?
C6 C5 C10 C9 -1.2(4) . . . . ?
C4 C5 C10 C9 179.2(2) . . . . ?
C6 C5 C10 C11 178.7(2) . . . . ?
C4 C5 C10 C11 -0.8(2) . . . . ?
C9 C10 C11 N5 -2.2(4) . . . . ?
C5 C10 C11 N5 177.9(2) . . . . ?
C9 C10 C11 N4 178.6(3) . . . . ?
C5 C10 C11 N4 -1.3(3) . . . . ?
N5 C12 C13 C18 177.6(2) . . . . ?
N6 C12 C13 C18 -2.4(3) . . . . ?
N5 C12 C13 C14 -1.4(4) . . . . ?
N6 C12 C13 C14 178.6(2) . . . . ?
C18 C13 C14 C15 -1.5(3) . . . . ?
C12 C13 C14 C15 177.4(2) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C14 C15 C16 C17 1.9(4) . . . . ?
C15 C16 C17 C18 -1.7(4) . . . . ?
C14 C13 C18 C17 1.7(4) . . . . ?
C12 C13 C18 C17 -177.4(2) . . . . ?
C14 C13 C18 C19 -177.8(2) . . . . ?
C12 C13 C18 C19 3.1(2) . . . . ?
C16 C17 C18 C13 -0.1(4) . . . . ?
C16 C17 C18 C19 179.3(2) . . . . ?
C13 C18 C19 N7 174.6(2) . . . . ?
C17 C18 C19 N7 -4.9(4) . . . . ?
C13 C18 C19 N6 -3.0(2) . . . . ?
C17 C18 C19 N6 177.6(2) . . . . ?
N8 C20 C21 C22 -0.7(3) . . . . ?
N7 C20 C21 C22 177.1(2) . . . . ?
C20 C21 C22 N9 0.3(3) . . . . ?
N10 C23 C24 C25 -0.9(3) . . . . ?
C23 C24 C25 N11 1.4(3) . . . . ?
C23 C24 C25 N12 -175.7(2) . . . . ?
N12 C26 C27 C32 179.8(2) . . . . ?
N13 C26 C27 C32 1.1(2) . . . . ?
N12 C26 C27 C28 2.4(4) . . . . ?
N13 C26 C27 C28 -176.3(2) . . . . ?
C32 C27 C28 C29 0.4(3) . . . . ?
C26 C27 C28 C29 177.5(2) . . . . ?
C27 C28 C29 C30 0.4(4) . . . . ?
C28 C29 C30 C31 -0.6(4) . . . . ?
C29 C30 C31 C32 -0.1(4) . . . . ?
C28 C27 C32 C31 -1.1(3) . . . . ?
C26 C27 C32 C31 -178.9(2) . . . . ?
C28 C27 C32 C33 177.6(2) . . . . ?
C26 C27 C32 C33 -0.2(2) . . . . ?
C30 C31 C32 C27 1.0(3) . . . . ?
C30 C31 C32 C33 -177.4(2) . . . . ?
C27 C32 C33 N14 178.77(19) . . . . ?
C31 C32 C33 N14 -2.6(4) . . . . ?
C27 C32 C33 N13 -0.9(2) . . . . ?
C31 C32 C33 N13 177.7(2) . . . . ?
N14 C34 C35 C40 -178.4(2) . . . . ?
N15 C34 C35 C40 1.1(3) . . . . ?
N14 C34 C35 C36 1.1(4) . . . . ?
N15 C34 C35 C36 -179.4(2) . . . . ?
C40 C35 C36 C37 -0.1(4) . . . . ?
C34 C35 C36 C37 -179.5(2) . . . . ?
C35 C36 C37 C38 0.6(4) . . . . ?
C36 C37 C38 C39 -0.9(5) . . . . ?
C37 C38 C39 C40 0.7(4) . . . . ?
C36 C35 C40 C39 0.0(4) . . . . ?
C34 C35 C40 C39 179.5(2) . . . . ?
C36 C35 C40 C41 179.9(2) . . . . ?
C34 C35 C40 C41 -0.5(2) . . . . ?
C38 C39 C40 C35 -0.3(4) . . . . ?
C38 C39 C40 C41 179.8(3) . . . . ?
C35 C40 C41 N16 179.5(2) . . . . ?
C39 C40 C41 N16 -0.5(4) . . . . ?
C35 C40 C41 N15 -0.2(3) . . . . ?
C39 C40 C41 N15 179.8(3) . . . . ?
N17 C42 C43 C44 -0.5(3) . . . . ?
N16 C42 C43 C44 178.8(2) . . . . ?
C42 C43 C44 N18 0.2(3) . . . . ?
C2 C1 N1 N2 -0.1(3) . . . . ?
C2 C1 N1 Zn2 173.91(17) . . . . ?
N3 C3 N2 N1 178.6(2) . . . . ?
C2 C3 N2 N1 0.1(3) . . . . ?
N3 C3 N2 Zn1 -5.9(3) . . . . ?
C2 C3 N2 Zn1 175.58(16) . . . . ?
C1 N1 N2 C3 0.0(3) . . . . ?
Zn2 N1 N2 C3 -173.74(16) . . . . ?
C1 N1 N2 Zn1 -175.68(16) . . . . ?
Zn2 N1 N2 Zn1 10.5(3) . . . . ?
N4 C4 N3 C3 2.3(4) . . . . ?
C5 C4 N3 C3 -178.9(2) . . . . ?
N2 C3 N3 C4 4.7(4) . . . . ?
C2 C3 N3 C4 -177.0(2) . . . . ?
N5 C11 N4 C4 -176.2(2) . . . . ?
C10 C11 N4 C4 2.9(3) . . . . ?
N5 C11 N4 Zn1 6.5(4) . . . . ?
C10 C11 N4 Zn1 -174.39(15) . . . . ?
N3 C4 N4 C11 175.6(2) . . . . ?
C5 C4 N4 C11 -3.4(2) . . . . ?
N3 C4 N4 Zn1 -7.2(3) . . . . ?
C5 C4 N4 Zn1 173.89(14) . . . . ?
N4 C11 N5 C12 4.2(4) . . . . ?
C10 C11 N5 C12 -174.9(2) . . . . ?
N6 C12 N5 C11 -4.1(4) . . . . ?
C13 C12 N5 C11 176.0(2) . . . . ?
N5 C12 N6 C19 -179.4(2) . . . . ?
C13 C12 N6 C19 0.5(2) . . . . ?
N5 C12 N6 Zn1 -6.9(4) . . . . ?
C13 C12 N6 Zn1 173.01(14) . . . . ?
N7 C19 N6 C12 -175.9(2) . . . . ?
C18 C19 N6 C12 1.5(2) . . . . ?
N7 C19 N6 Zn1 11.4(3) . . . . ?
C18 C19 N6 Zn1 -171.19(14) . . . . ?
N6 C19 N7 C20 0.8(4) . . . . ?
C18 C19 N7 C20 -176.2(2) . . . . ?
N8 C20 N7 C19 -10.0(4) . . . . ?
C21 C20 N7 C19 172.6(2) . . . . ?
N7 C20 N8 N9 -176.8(2) . . . . ?
C21 C20 N8 N9 0.9(3) . . . . ?
N7 C20 N8 Zn1 5.4(3) . . . . ?
C21 C20 N8 Zn1 -176.93(17) . . . . ?
C21 C22 N9 N8 0.2(3) . . . . ?
C21 C22 N9 Zn2 -165.86(18) . . . . ?
C20 N8 N9 C22 -0.7(3) . . . . ?
Zn1 N8 N9 C22 177.16(17) . . . . ?
C20 N8 N9 Zn2 165.37(16) . . . . ?
Zn1 N8 N9 Zn2 -16.8(3) . . . . ?
C24 C23 N10 N11 0.1(3) . . . . ?
C24 C23 N10 Zn2 176.57(18) . . . . ?
N12 C25 N11 N10 175.5(2) . . . . ?
C24 C25 N11 N10 -1.4(3) . . . . ?
N12 C25 N11 Zn3 5.6(3) . . . . ?
C24 C25 N11 Zn3 -171.32(16) . . . . ?
C23 N10 N11 C25 0.8(3) . . . . ?
Zn2 N10 N11 C25 -175.57(15) . . . . ?
C23 N10 N11 Zn3 171.34(16) . . . . ?
Zn2 N10 N11 Zn3 -5.0(3) . . . . ?
N13 C26 N12 C25 2.9(4) . . . . ?
C27 C26 N12 C25 -175.6(2) . . . . ?
N11 C25 N12 C26 -1.8(4) . . . . ?
C24 C25 N12 C26 174.7(2) . . . . ?
N14 C33 N13 C26 -178.0(2) . . . . ?
C32 C33 N13 C26 1.6(2) . . . . ?
N14 C33 N13 Zn3 9.0(3) . . . . ?
C32 C33 N13 Zn3 -171.38(14) . . . . ?
N12 C26 N13 C33 179.7(2) . . . . ?
C27 C26 N13 C33 -1.7(2) . . . . ?
N12 C26 N13 Zn3 -7.3(3) . . . . ?
C27 C26 N13 Zn3 171.29(14) . . . . ?
N13 C33 N14 C34 4.5(4) . . . . ?
C32 C33 N14 C34 -175.07(19) . . . . ?
N15 C34 N14 C33 -6.7(4) . . . . ?
C35 C34 N14 C33 172.6(2) . . . . ?
N14 C34 N15 C41 178.2(2) . . . . ?
C35 C34 N15 C41 -1.2(2) . . . . ?
N14 C34 N15 Zn3 -5.0(3) . . . . ?
C35 C34 N15 Zn3 175.58(14) . . . . ?
N16 C41 N15 C34 -178.8(2) . . . . ?
C40 C41 N15 C34 0.9(2) . . . . ?
N16 C41 N15 Zn3 4.4(3) . . . . ?
C40 C41 N15 Zn3 -175.95(14) . . . . ?
N15 C41 N16 C42 -0.1(4) . . . . ?
C40 C41 N16 C42 -179.7(2) . . . . ?
N17 C42 N16 C41 -0.6(4) . . . . ?
C43 C42 N16 C41 -179.8(2) . . . . ?
N16 C42 N17 N18 -178.6(2) . . . . ?
C43 C42 N17 N18 0.6(3) . . . . ?
N16 C42 N17 Zn3 -3.2(3) . . . . ?
C43 C42 N17 Zn3 176.06(16) . . . . ?
C43 C44 N18 N17 0.2(3) . . . . ?
C43 C44 N18 Zn2 -171.05(16) . . . . ?
C42 N17 N18 C44 -0.5(2) . . . . ?
Zn3 N17 N18 C44 -176.18(15) . . . . ?
C42 N17 N18 Zn2 170.55(15) . . . . ?
Zn3 N17 N18 Zn2 -5.1(3) . . . . ?
O1 C45 N19 C46 1.7(4) . . . . ?
O1 C45 N19 C47 -177.4(2) . . . . ?
O3 C48 N20 C50 -177.5(3) . . . . ?
O3 C48 N20 C49 0.6(4) . . . . ?
O4 C51 N21 C52 -0.2(5) . . . . ?
O4 C51 N21 C53 -178.8(3) . . . . ?
N19 C45 O1 Zn1 -168.06(19) . . . . ?
