#------------------------------------------------------------------------------
#$Date: 2023-04-13 15:19:33 +0300 (Thu, 13 Apr 2023) $
#$Revision: 282621 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/24/7712468.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_7712468
loop_
_publ_author_name
'Terlecki, Michał'
'Justyniak, Iwona'
'Leszczyński, Michał K.'
'Bernatowicz, Piotr'
'Lewiński, Janusz'
_publ_section_title
;
 Factors controlling the structure of alkylzinc amidinates: on the role of
 N-substituents
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              2712
_journal_page_last               2721
_journal_paper_doi               10.1039/D2DT03722J
_journal_volume                  52
_journal_year                    2023
_chemical_formula_sum            'C34 H40 N4 Zn2'
_chemical_formula_weight         635.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2022-11-20 deposited with the CCDC.	2023-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.4370(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.2257(2)
_cell_length_b                   22.1226(2)
_cell_length_c                   19.5545(2)
_cell_measurement_reflns_used    14143
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.0744
_cell_measurement_theta_min      2.9945
_cell_volume                     6378.59(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics
;
CrystalMaker (Palmer, D. C. (2014) CrystalMaker Software Ltd, Begbroke, Oxfordshire, England.)
ORTEP III (Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.)
;
_computing_publication_material
;
Dolomanov, O.V.; Bourhis, L.J.; Gildea, R.J.; Howard, J.A.K.; Puschmann, H., OLEX2: 
(2009). J. Appl. Cryst., 42, 339-341
;
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution
'SHELXT (Sheldrick, G. M. (2015). Acta Cryst. A71, 3-8)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2974
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0621
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            25876
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.981
_diffrn_reflns_theta_min         1.381
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.532
_exptl_absorpt_correction_T_max  0.926
_exptl_absorpt_correction_T_min  0.848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_description       plate
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.522
_refine_diff_density_min         -0.813
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.240(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1466
_refine_ls_number_reflns         18795
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0434
_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)+(0.0649P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1148
_reflns_Friedel_coverage         0.947
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.979
_reflns_number_gt                17490
_reflns_number_total             18795
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03722j2.cif
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7712468
#BEGIN Tags that were not found in dictionaries:
_shelx_shelxl_version_number     2016/6
_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.
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.5216(4) 0.1594(3) -0.0184(3) 0.0182(13) Uani 1 1 d . . . . .
C2 C 0.5633(5) 0.1156(4) -0.0606(4) 0.0360(19) Uani 1 1 d . . . . .
H2A H 0.596970 0.138109 -0.088911 0.054 Uiso 1 1 calc R U . . .
H2B H 0.515207 0.091927 -0.091859 0.054 Uiso 1 1 calc R U . . .
H2C H 0.604647 0.088338 -0.028313 0.054 Uiso 1 1 calc R U . . .
C3 C 0.4580(5) 0.2023(4) -0.0718(4) 0.0326(17) Uani 1 1 d . . . . .
H3A H 0.434269 0.233652 -0.045882 0.049 Uiso 1 1 calc R U . . .
H3B H 0.407517 0.178965 -0.100703 0.049 Uiso 1 1 calc R U . . .
H3C H 0.492284 0.221217 -0.102341 0.049 Uiso 1 1 calc R U . . .
C4 C 0.5971(5) 0.1978(3) 0.0272(4) 0.0295(16) Uani 1 1 d . . . . .
H4A H 0.640378 0.171514 0.059407 0.044 Uiso 1 1 calc R U . . .
H4B H 0.571033 0.226622 0.054701 0.044 Uiso 1 1 calc R U . . .
H4C H 0.628512 0.219838 -0.003136 0.044 Uiso 1 1 calc R U . . .
C5 C 0.6732(4) 0.0913(3) 0.2277(3) 0.0180(13) Uani 1 1 d . . . . .
C6 C 0.7486(4) 0.1369(3) 0.2287(4) 0.0263(15) Uani 1 1 d . . . . .
H6A H 0.748690 0.167634 0.264827 0.039 Uiso 1 1 calc R U . . .
H6B H 0.738346 0.156430 0.182344 0.039 Uiso 1 1 calc R U . . .
H6C H 0.807231 0.116079 0.239486 0.039 Uiso 1 1 calc R U . . .
C7 C 0.6868(5) 0.0641(4) 0.3011(4) 0.042(2) Uani 1 1 d . . . . .
H7A H 0.639648 0.033780 0.300528 0.063 Uiso 1 1 calc R U . . .
H7B H 0.682753 0.096073 0.334868 0.063 Uiso 1 1 calc R U . . .
H7C H 0.746578 0.044917 0.315133 0.063 Uiso 1 1 calc R U . . .
C8 C 0.6779(5) 0.0414(4) 0.1748(5) 0.041(2) Uani 1 1 d . . . . .
H8A H 0.740379 0.026545 0.183462 0.061 Uiso 1 1 calc R U . . .
H8B H 0.658742 0.057591 0.126690 0.061 Uiso 1 1 calc R U . . .
H8C H 0.637772 0.008148 0.180229 0.061 Uiso 1 1 calc R U . . .
C9 C 0.4110(4) 0.2160(3) 0.1389(3) 0.0116(11) Uani 1 1 d . . . . .
H9 H 0.375015 0.249189 0.146508 0.014 Uiso 1 1 calc R U . . .
C10 C 0.2813(4) 0.1799(3) 0.0590(3) 0.0132(11) Uani 1 1 d . . . . .
C11 C 0.2477(4) 0.1731(3) -0.0139(3) 0.0155(12) Uani 1 1 d . . . . .
H11 H 0.288711 0.167601 -0.042882 0.019 Uiso 1 1 calc R U . . .
C12 C 0.1556(4) 0.1741(3) -0.0442(3) 0.0174(12) Uani 1 1 d . . . . .
H12 H 0.133940 0.170231 -0.093968 0.021 Uiso 1 1 calc R U . . .
C13 C 0.0940(4) 0.1809(3) -0.0025(3) 0.0154(12) Uani 1 1 d . . . . .
H13 H 0.030525 0.181019 -0.023255 0.019 Uiso 1 1 calc R U . . .
C14 C 0.1275(4) 0.1874(3) 0.0704(3) 0.0182(13) Uani 1 1 d . . . . .
H14 H 0.086547 0.192488 0.099525 0.022 Uiso 1 1 calc R U . . .
C15 C 0.2204(4) 0.1865(3) 0.1007(3) 0.0150(12) Uani 1 1 d . . . . .
H15 H 0.242387 0.190490 0.150455 0.018 Uiso 1 1 calc R U . . .
C16 C 0.5345(4) 0.2621(3) 0.2188(3) 0.0124(11) Uani 1 1 d . . . . .
C17 C 0.5153(4) 0.3203(3) 0.1920(3) 0.0160(12) Uani 1 1 d . . . . .
H17 H 0.474968 0.325963 0.146812 0.019 Uiso 1 1 calc R U . . .
C18 C 0.5555(4) 0.3708(3) 0.2314(3) 0.0197(13) Uani 1 1 d . . . . .
H18 H 0.541343 0.410484 0.213597 0.024 Uiso 1 1 calc R U . . .
C19 C 0.6160(4) 0.3619(3) 0.2967(3) 0.0200(13) Uani 1 1 d . . . . .
H19 H 0.644095 0.395726 0.323292 0.024 Uiso 1 1 calc R U . . .
C20 C 0.6356(4) 0.3045(3) 0.3229(3) 0.0220(14) Uani 1 1 d . . . . .
H20 H 0.676710 0.298575 0.367711 0.026 Uiso 1 1 calc R U . . .
C21 C 0.5946(4) 0.2549(3) 0.2832(3) 0.0165(12) Uani 1 1 d . . . . .
H21 H 0.608783 0.215321 0.301374 0.020 Uiso 1 1 calc R U . . .
C22 C 0.4183(4) 0.0363(3) 0.1486(3) 0.0118(11) Uani 1 1 d . . . . .
H22 H 0.383097 0.002193 0.154753 0.014 Uiso 1 1 calc R U . . .
C23 C 0.4486(4) -0.0136(3) 0.0516(3) 0.0119(12) Uani 1 1 d . . . . .
C24 C 0.4285(4) -0.0124(3) -0.0225(3) 0.0163(12) Uani 1 1 d . . . . .
H24 H 0.416489 0.024796 -0.047313 0.020 Uiso 1 1 calc R U . . .
C25 C 0.4264(4) -0.0668(3) -0.0592(3) 0.0225(14) Uani 1 1 d . . . . .
H25 H 0.412295 -0.066257 -0.109368 0.027 Uiso 1 1 calc R U . . .
C26 C 0.4444(4) -0.1211(3) -0.0245(4) 0.0236(14) Uani 1 1 d . . . . .
H26 H 0.441539 -0.157650 -0.050411 0.028 Uiso 1 1 calc R U . . .
C27 C 0.4670(4) -0.1223(3) 0.0493(3) 0.0189(12) Uani 1 1 d . . . . .
H27 H 0.480231 -0.159610 0.073722 0.023 Uiso 1 1 calc R U . . .
C28 C 0.4701(4) -0.0685(3) 0.0871(3) 0.0159(12) Uani 1 1 d . . . . .
H28 H 0.486862 -0.069261 0.137222 0.019 Uiso 1 1 calc R U . . .
C29 C 0.3895(4) 0.0791(3) 0.2513(3) 0.0110(11) Uani 1 1 d . . . . .
C30 C 0.3005(4) 0.0583(3) 0.2391(3) 0.0157(12) Uani 1 1 d . . . . .
H30 H 0.270998 0.041364 0.194664 0.019 Uiso 1 1 calc R U . . .
C31 C 0.2554(4) 0.0624(3) 0.2925(3) 0.0170(12) Uani 1 1 d . . . . .
H31 H 0.194905 0.047812 0.284091 0.020 Uiso 1 1 calc R U . . .
C32 C 0.2962(4) 0.0871(3) 0.3575(3) 0.0150(12) Uani 1 1 d . . . . .
H32 H 0.264548 0.089730 0.393511 0.018 Uiso 1 1 calc R U . . .
C33 C 0.3836(4) 0.1079(3) 0.3689(3) 0.0166(12) Uani 1 1 d . . . . .
H33 H 0.411959 0.125289 0.413305 0.020 Uiso 1 1 calc R U . . .
C34 C 0.4319(4) 0.1043(3) 0.3175(3) 0.0130(11) Uani 1 1 d . . . . .
H34 H 0.492555 0.118548 0.326715 0.016 Uiso 1 1 calc R U . . .
C35 C -0.1428(4) 0.3321(3) 0.2038(3) 0.0136(11) Uani 1 1 d . . . . .
C36 C -0.1198(4) 0.2872(3) 0.2655(3) 0.0223(14) Uani 1 1 d . . . . .
H36A H -0.166522 0.289164 0.292004 0.033 Uiso 1 1 calc R U . . .
H36B H -0.060759 0.297424 0.296712 0.033 Uiso 1 1 calc R U . . .
H36C H -0.117607 0.246147 0.247011 0.033 Uiso 1 1 calc R U . . .
C37 C -0.2360(4) 0.3170(4) 0.1566(4) 0.0278(16) Uani 1 1 d . . . . .
H37A H -0.234064 0.277098 0.135281 0.042 Uiso 1 1 calc R U . . .
H37B H -0.253005 0.347488 0.119276 0.042 Uiso 1 1 calc R U . . .
H37C H -0.280819 0.316712 0.184909 0.042 Uiso 1 1 calc R U . . .
C38 C -0.1444(5) 0.3951(3) 0.2353(4) 0.0273(16) Uani 1 1 d . . . . .
H38A H -0.161750 0.424770 0.197092 0.041 Uiso 1 1 calc R U . . .
H38B H -0.084014 0.404948 0.264709 0.041 Uiso 1 1 calc R U . . .
H38C H -0.188461 0.395967 0.264227 0.041 Uiso 1 1 calc R U . . .
C39 C -0.1433(4) 0.4757(3) 0.0019(3) 0.0121(11) Uani 1 1 d . . . . .
C40 C -0.2038(4) 0.4251(3) -0.0365(3) 0.0219(14) Uani 1 1 d . . . . .
H40A H -0.260676 0.442313 -0.064700 0.033 Uiso 1 1 calc R U . . .
H40B H -0.216995 0.396733 -0.001871 0.033 Uiso 1 1 calc R U . . .
H40C H -0.172706 0.403783 -0.067562 0.033 Uiso 1 1 calc R U . . .
C41 C -0.1957(4) 0.5127(3) 0.0451(3) 0.0224(14) Uani 1 1 d . . . . .
H41A H -0.249171 0.530955 0.013296 0.034 Uiso 1 1 calc R U . . .
H41B H -0.156482 0.544628 0.070958 0.034 Uiso 1 1 calc R U . . .
H41C H -0.215012 0.486109 0.078750 0.034 Uiso 1 1 calc R U . . .
C42 C -0.1195(4) 0.5174(3) -0.0528(3) 0.0237(14) Uani 1 1 d . . . . .
H42A H -0.091107 0.493779 -0.083927 0.035 Uiso 1 1 calc R U . . .
H42B H -0.077213 0.548601 -0.028873 0.035 Uiso 1 1 calc R U . . .
H42C H -0.174832 0.536536 -0.080886 0.035 Uiso 1 1 calc R U . . .
C43 C 0.0896(4) 0.4197(3) 0.2008(3) 0.0100(11) Uani 1 1 d . . . . .
H43 H 0.139686 0.434238 0.236311 0.012 Uiso 1 1 calc R U . . .
C44 C 0.1544(4) 0.3239(3) 0.2233(3) 0.0107(11) Uani 1 1 d . . . . .
C45 C 0.2436(4) 0.3421(3) 0.2259(3) 0.0131(11) Uani 1 1 d . . . . .
H45 H 0.254190 0.378861 0.204148 0.016 Uiso 1 1 calc R U . . .
C46 C 0.3163(4) 0.3064(3) 0.2604(3) 0.0170(12) Uani 1 1 d . . . . .
H46 H 0.376605 0.319638 0.263694 0.020 Uiso 1 1 calc R U . . .
C47 C 0.3013(4) 0.2516(3) 0.2898(3) 0.0185(13) Uani 1 1 d . . . . .
H47 H 0.351149 0.227071 0.312862 0.022 Uiso 1 1 calc R U . . .
C48 C 0.2131(4) 0.2326(3) 0.2856(3) 0.0184(13) Uani 1 1 d . . . . .
H48 H 0.202866 0.195057 0.305898 0.022 Uiso 1 1 calc R U . . .
C49 C 0.1398(4) 0.2682(3) 0.2519(3) 0.0137(11) Uani 1 1 d . . . . .
H49 H 0.079644 0.254561 0.248315 0.016 Uiso 1 1 calc R U . . .
C50 C 0.0358(4) 0.5188(3) 0.1923(3) 0.0108(11) Uani 1 1 d . . . . .
C51 C 0.0319(4) 0.5693(3) 0.1491(3) 0.0125(11) Uani 1 1 d . . . . .
H51 H 0.024313 0.564343 0.099654 0.015 Uiso 1 1 calc R U . . .
C52 C 0.0393(4) 0.6264(3) 0.1781(3) 0.0169(12) Uani 1 1 d . . . . .
H52 H 0.035674 0.660589 0.148050 0.020 Uiso 1 1 calc R U . . .
C53 C 0.0517(4) 0.6350(3) 0.2496(3) 0.0213(13) Uani 1 1 d . . . . .
H53 H 0.057935 0.674601 0.269076 0.026 Uiso 1 1 calc R U . . .
C54 C 0.0551(4) 0.5843(3) 0.2929(3) 0.0235(14) Uani 1 1 d . . . . .
H54 H 0.063801 0.589351 0.342431 0.028 Uiso 1 1 calc R U . . .
C55 C 0.0458(4) 0.5267(3) 0.2641(3) 0.0183(13) Uani 1 1 d . . . . .
H55 H 0.046219 0.492590 0.293683 0.022 Uiso 1 1 calc R U . . .
C56 C 0.0130(4) 0.3261(2) 0.0187(3) 0.0097(10) Uani 1 1 d . . . . .
H56 H 0.031755 0.300467 -0.013994 0.012 Uiso 1 1 calc R U . . .
C57 C -0.0982(4) 0.2542(3) 0.0234(3) 0.0100(11) Uani 1 1 d . . . . .
C58 C -0.1133(4) 0.2079(3) 0.0678(3) 0.0125(11) Uani 1 1 d . . . . .
H58 H -0.092177 0.212414 0.117471 0.015 Uiso 1 1 calc R U . . .
C59 C -0.1586(4) 0.1554(3) 0.0404(3) 0.0167(12) Uani 1 1 d . . . . .
H59 H -0.167599 0.124317 0.071498 0.020 Uiso 1 1 calc R U . . .
C60 C -0.1907(4) 0.1478(3) -0.0314(3) 0.0181(12) Uani 1 1 d . . . . .
H60 H -0.220251 0.111419 -0.050031 0.022 Uiso 1 1 calc R U . . .
C61 C -0.1791(4) 0.1947(3) -0.0768(3) 0.0175(12) Uani 1 1 d . . . . .
H61 H -0.201984 0.190199 -0.126401 0.021 Uiso 1 1 calc R U . . .
C62 C -0.1342(4) 0.2477(3) -0.0496(3) 0.0121(11) Uani 1 1 d . . . . .
H62 H -0.127998 0.279606 -0.080587 0.014 Uiso 1 1 calc R U . . .
C63 C 0.1264(4) 0.3948(3) 0.0084(3) 0.0123(11) Uani 1 1 d . . . . .
C64 C 0.1940(4) 0.3522(3) 0.0097(4) 0.0210(13) Uani 1 1 d . . . . .
H64 H 0.186620 0.312110 0.024772 0.025 Uiso 1 1 calc R U . . .
C65 C 0.2726(5) 0.3675(3) -0.0109(4) 0.0313(17) Uani 1 1 d . . . . .
H65 H 0.317245 0.337590 -0.011344 0.038 Uiso 1 1 calc R U . . .
C66 C 0.2854(5) 0.4270(4) -0.0308(5) 0.0359(19) Uani 1 1 d . . . . .
H66 H 0.339535 0.438227 -0.043337 0.043 Uiso 1 1 calc R U . . .
C67 C 0.2180(5) 0.4692(3) -0.0321(4) 0.0303(17) Uani 1 1 d . . . . .
H67 H 0.225568 0.509426 -0.046666 0.036 Uiso 1 1 calc R U . . .
C68 C 0.1391(4) 0.4536(3) -0.0122(3) 0.0200(13) Uani 1 1 d . . . . .
H68 H 0.093935 0.483312 -0.012666 0.024 Uiso 1 1 calc R U . . .
C69 C 0.3527(4) 0.5434(3) 0.2480(3) 0.0143(12) Uani 1 1 d . . . . .
C70 C 0.2944(4) 0.5152(3) 0.2932(4) 0.0233(14) Uani 1 1 d . . . . .
H70A H 0.290946 0.543090 0.331416 0.035 Uiso 1 1 calc R U . . .
H70B H 0.321707 0.477044 0.313377 0.035 Uiso 1 1 calc R U . . .
H70C H 0.233227 0.507573 0.263741 0.035 Uiso 1 1 calc R U . . .
C71 C 0.3592(4) 0.4985(3) 0.1899(3) 0.0269(15) Uani 1 1 d . . . . .
H71A H 0.298528 0.491296 0.159314 0.040 Uiso 1 1 calc R U . . .
H71B H 0.384641 0.460272 0.211379 0.040 Uiso 1 1 calc R U . . .
H71C H 0.398495 0.515175 0.161814 0.040 Uiso 1 1 calc R U . . .
C72 C 0.3053(4) 0.6004(3) 0.2133(3) 0.0219(14) Uani 1 1 d . . . . .
H72A H 0.245080 0.589936 0.184090 0.033 Uiso 1 1 calc R U . . .
H72B H 0.341340 0.618758 0.183644 0.033 Uiso 1 1 calc R U . . .
H72C H 0.299153 0.629194 0.249929 0.033 Uiso 1 1 calc R U . . .
C73 C 0.3672(4) 0.6735(3) 0.4585(3) 0.0136(11) Uani 1 1 d . . . . .
C74 C 0.3932(4) 0.7182(3) 0.5188(3) 0.0227(14) Uani 1 1 d . . . . .
H74A H 0.396409 0.758920 0.499820 0.034 Uiso 1 1 calc R U . . .
H74B H 0.452395 0.707190 0.549295 0.034 Uiso 1 1 calc R U . . .
H74C H 0.347464 0.717460 0.546314 0.034 Uiso 1 1 calc R U . . .
C75 C 0.3603(4) 0.6103(3) 0.4900(3) 0.0206(13) Uani 1 1 d . . . . .
H75A H 0.416165 0.601538 0.526054 0.031 Uiso 1 1 calc R U . . .
H75B H 0.351646 0.579911 0.452437 0.031 Uiso 1 1 calc R U . . .
H75C H 0.308580 0.609323 0.511427 0.031 Uiso 1 1 calc R U . . .
C76 C 0.2751(4) 0.6900(3) 0.4108(3) 0.0204(13) Uani 1 1 d . . . . .
H76A H 0.230468 0.693315 0.439099 0.031 Uiso 1 1 calc R U . . .
H76B H 0.255891 0.658617 0.374830 0.031 Uiso 1 1 calc R U . . .
H76C H 0.279531 0.728841 0.387682 0.031 Uiso 1 1 calc R U . . .
C77 C 0.5243(3) 0.6854(3) 0.2757(3) 0.0107(11) Uani 1 1 d . . . . .
H77 H 0.545928 0.712191 0.245623 0.013 Uiso 1 1 calc R U . . .
C78 C 0.6341(4) 0.6155(3) 0.2607(3) 0.0124(11) Uani 1 1 d . . . . .
C79 C 0.6434(4) 0.5582(3) 0.2340(3) 0.0210(13) Uani 1 1 d . . . . .
H79 H 0.596468 0.529135 0.230049 0.025 Uiso 1 1 calc R U . . .
C80 C 0.7221(5) 0.5436(4) 0.2132(4) 0.0330(18) Uani 1 1 d . . . . .
H80 H 0.728372 0.504354 0.195264 0.040 Uiso 1 1 calc R U . . .
C81 C 0.7902(5) 0.5848(4) 0.2181(4) 0.0318(17) Uani 1 1 d . . . . .
H81 H 0.843109 0.574326 0.203274 0.038 Uiso 1 1 calc R U . . .
C82 C 0.7819(4) 0.6416(4) 0.2446(4) 0.0303(16) Uani 1 1 d . . . . .
H82 H 0.829291 0.670161 0.247984 0.036 Uiso 1 1 calc R U . . .
C83 C 0.7042(4) 0.6577(3) 0.2667(3) 0.0208(13) Uani 1 1 d . . . . .
H83 H 0.699270 0.696776 0.285531 0.025 Uiso 1 1 calc R U . . .
C84 C 0.4157(4) 0.7587(3) 0.2816(3) 0.0116(11) Uani 1 1 d . . . . .
C85 C 0.3834(4) 0.7667(3) 0.2085(3) 0.0132(12) Uani 1 1 d . . . . .
H85 H 0.391027 0.735654 0.176919 0.016 Uiso 1 1 calc R U . . .
C86 C 0.3397(4) 0.8209(3) 0.1821(3) 0.0186(13) Uani 1 1 d . . . . .
H86 H 0.319592 0.826748 0.132563 0.022 Uiso 1 1 calc R U . . .
C87 C 0.3255(4) 0.8658(3) 0.2275(3) 0.0187(13) Uani 1 1 d . . . . .
H87 H 0.296691 0.902603 0.209308 0.022 Uiso 1 1 calc R U . . .
C88 C 0.3540(4) 0.8565(3) 0.3005(3) 0.0182(12) Uani 1 1 d . . . . .
H88 H 0.342322 0.886385 0.331977 0.022 Uiso 1 1 calc R U . . .
C89 C 0.3993(4) 0.8036(3) 0.3270(3) 0.0140(11) Uani 1 1 d . . . . .
H89 H 0.419326 0.798043 0.376624 0.017 Uiso 1 1 calc R U . . .
C90 C 0.5909(4) 0.5782(3) 0.4495(3) 0.0123(11) Uani 1 1 d . . . . .
H90 H 0.638481 0.560027 0.484193 0.015 Uiso 1 1 calc R U . . .
C91 C 0.5124(4) 0.4867(3) 0.4383(3) 0.0095(11) Uani 1 1 d . . . . .
C92 C 0.5185(4) 0.4808(3) 0.5111(3) 0.0132(11) Uani 1 1 d . . . . .
H92 H 0.536184 0.514329 0.541797 0.016 Uiso 1 1 calc R U . . .
C93 C 0.4984(4) 0.4252(3) 0.5377(3) 0.0166(12) Uani 1 1 d . . . . .
H93 H 0.501888 0.421261 0.586727 0.020 Uiso 1 1 calc R U . . .
C94 C 0.4739(4) 0.3767(3) 0.4946(3) 0.0206(13) Uani 1 1 d . . . . .
H94 H 0.460440 0.339265 0.513549 0.025 Uiso 1 1 calc R U . . .
C95 C 0.4686(4) 0.3817(3) 0.4229(3) 0.0223(13) Uani 1 1 d . . . . .
H95 H 0.452057 0.347625 0.392909 0.027 Uiso 1 1 calc R U . . .
C96 C 0.4874(4) 0.4367(3) 0.3951(3) 0.0162(12) Uani 1 1 d . . . . .
H96 H 0.483182 0.439958 0.345927 0.019 Uiso 1 1 calc R U . . .
C97 C 0.6684(4) 0.6717(3) 0.4736(3) 0.0122(11) Uani 1 1 d . . . . .
C98 C 0.6575(4) 0.7272(3) 0.5017(3) 0.0170(12) Uani 1 1 d . . . . .
H98 H 0.598388 0.742417 0.499078 0.020 Uiso 1 1 calc R U . . .
C99 C 0.7336(4) 0.7612(3) 0.5342(3) 0.0212(13) Uani 1 1 d . . . . .
H99 H 0.726030 0.799881 0.553151 0.025 Uiso 1 1 calc R U . . .
C100 C 0.8194(4) 0.7393(3) 0.5391(3) 0.0231(14) Uani 1 1 d . . . . .
H100 H 0.871053 0.762237 0.562264 0.028 Uiso 1 1 calc R U . . .
C101 C 0.8300(4) 0.6836(3) 0.5102(3) 0.0209(13) Uani 1 1 d . . . . .
H101 H 0.889107 0.668155 0.513491 0.025 Uiso 1 1 calc R U . . .
C102 C 0.7545(4) 0.6502(3) 0.4762(3) 0.0157(12) Uani 1 1 d . . . . .
H102 H 0.762025 0.612598 0.454870 0.019 Uiso 1 1 calc R U . . .
C103 C 1.0324(4) 0.8421(3) 0.2308(3) 0.0134(12) Uani 1 1 d . . . . .
C104 C 0.9696(4) 0.7961(3) 0.1841(3) 0.0203(13) Uani 1 1 d . . . . .
H10A H 1.004124 0.772513 0.157277 0.030 Uiso 1 1 calc R U . . .
H10B H 0.920077 0.817361 0.151299 0.030 Uiso 1 1 calc R U . . .
H10C H 0.944375 0.768829 0.213873 0.030 Uiso 1 1 calc R U . . .
C105 C 1.1124(4) 0.8073(3) 0.2789(3) 0.0185(13) Uani 1 1 d . . . . .
H10D H 1.089701 0.781773 0.311742 0.028 Uiso 1 1 calc R U . . .
H10E H 1.156745 0.836087 0.305620 0.028 Uiso 1 1 calc R U . . .
H10F H 1.141336 0.781815 0.249781 0.028 Uiso 1 1 calc R U . . .
C106 C 1.0711(4) 0.8850(3) 0.1841(3) 0.0213(13) Uani 1 1 d . . . . .
H10G H 1.109961 0.862286 0.160206 0.032 Uiso 1 1 calc R U . . .
H10H H 1.106859 0.916684 0.213501 0.032 Uiso 1 1 calc R U . . .
H10I H 1.021218 0.903611 0.148826 0.032 Uiso 1 1 calc R U . . .
C107 C 1.1836(4) 0.9083(3) 0.4783(3) 0.0161(12) Uani 1 1 d . . . . .
C108 C 1.2571(4) 0.8602(3) 0.4814(3) 0.0223(14) Uani 1 1 d . . . . .
H10J H 1.251480 0.843418 0.434140 0.033 Uiso 1 1 calc R U . . .
H10K H 1.249708 0.827740 0.513679 0.033 Uiso 1 1 calc R U . . .
H10L H 1.317121 0.878621 0.498475 0.033 Uiso 1 1 calc R U . . .
C109 C 1.1984(5) 0.9377(4) 0.5517(4) 0.0327(17) Uani 1 1 d . . . . .
H10M H 1.193573 0.906784 0.586524 0.049 Uiso 1 1 calc R U . . .
H10N H 1.152168 0.968833 0.550287 0.049 Uiso 1 1 calc R U . . .
H10O H 1.258738 0.956162 0.565078 0.049 Uiso 1 1 calc R U . . .
C110 C 1.1970(4) 0.9572(3) 0.4250(4) 0.0275(15) Uani 1 1 d . . . . .
H11A H 1.259854 0.971695 0.438284 0.041 Uiso 1 1 calc R U . . .
H11B H 1.155797 0.991129 0.425683 0.041 Uiso 1 1 calc R U . . .
H11C H 1.183944 0.939844 0.377473 0.041 Uiso 1 1 calc R U . . .
C111 C 0.9343(4) 0.9702(3) 0.3958(3) 0.0130(11) Uani 1 1 d . . . . .
H111 H 0.901950 1.005683 0.401942 0.016 Uiso 1 1 calc R U . . .
C112 C 0.9763(4) 1.0174(3) 0.3008(3) 0.0113(11) Uani 1 1 d . . . . .
C113 C 0.9637(4) 1.0157(3) 0.2282(3) 0.0153(12) Uani 1 1 d . . . . .
H113 H 0.941685 0.979953 0.202653 0.018 Uiso 1 1 calc R U . . .
C114 C 0.9836(4) 1.0669(3) 0.1926(3) 0.0186(12) Uani 1 1 d . . . . .
H114 H 0.977366 1.065305 0.143023 0.022 Uiso 1 1 calc R U . . .
C115 C 1.0124(4) 1.1200(3) 0.2292(3) 0.0194(12) Uani 1 1 d . . . . .
H115 H 1.024224 1.154900 0.204687 0.023 Uiso 1 1 calc R U . . .
C116 C 1.0238(4) 1.1219(3) 0.3019(3) 0.0180(12) Uani 1 1 d . . . . .
H116 H 1.043295 1.158178 0.327043 0.022 Uiso 1 1 calc R U . . .
C117 C 1.0067(4) 1.0708(3) 0.3380(3) 0.0151(12) Uani 1 1 d . . . . .
H117 H 1.015602 1.072003 0.387824 0.018 Uiso 1 1 calc R U . . .
C118 C 0.8991(4) 0.9266(3) 0.4969(3) 0.0134(11) Uani 1 1 d . . . . .
C119 C 0.9382(4) 0.8992(3) 0.5617(3) 0.0148(12) Uani 1 1 d . . . . .
H119 H 0.998707 0.884652 0.570935 0.018 Uiso 1 1 calc R U . . .
C120 C 0.8903(4) 0.8928(3) 0.6124(3) 0.0167(12) Uani 1 1 d . . . . .
H120 H 0.918106 0.874333 0.656297 0.020 Uiso 1 1 calc R U . . .
C121 C 0.8016(4) 0.9132(3) 0.5997(3) 0.0182(13) Uani 1 1 d . . . . .
H121 H 0.767894 0.907517 0.634031 0.022 Uiso 1 1 calc R U . . .
C122 C 0.7620(4) 0.9423(3) 0.5356(3) 0.0209(13) Uani 1 1 d . . . . .
H122 H 0.702542 0.958583 0.527552 0.025 Uiso 1 1 calc R U . . .
C123 C 0.8100(4) 0.9473(3) 0.4842(3) 0.0164(12) Uani 1 1 d . . . . .
H123 H 0.781878 0.964908 0.439829 0.020 Uiso 1 1 calc R U . . .
C124 C 0.9180(4) 0.7900(3) 0.3868(3) 0.0108(11) Uani 1 1 d . . . . .
H124 H 0.881131 0.756940 0.393328 0.013 Uiso 1 1 calc R U . . .
C125 C 0.7899(4) 0.8333(3) 0.3099(3) 0.0123(11) Uani 1 1 d . . . . .
C126 C 0.7302(4) 0.8252(3) 0.3526(3) 0.0171(12) Uani 1 1 d . . . . .
H126 H 0.752873 0.816245 0.401325 0.021 Uiso 1 1 calc R U . . .
C127 C 0.6370(4) 0.8304(3) 0.3238(3) 0.0225(14) Uani 1 1 d . . . . .
H127 H 0.596529 0.823368 0.352944 0.027 Uiso 1 1 calc R U . . .
C128 C 0.6028(4) 0.8455(3) 0.2544(4) 0.0268(15) Uani 1 1 d . . . . .
H128 H 0.539244 0.849407 0.235479 0.032 Uiso 1 1 calc R U . . .
C129 C 0.6624(4) 0.8549(3) 0.2118(4) 0.0279(15) Uani 1 1 d . . . . .
H129 H 0.639599 0.865334 0.163535 0.033 Uiso 1 1 calc R U . . .
C130 C 0.7553(4) 0.8491(3) 0.2402(3) 0.0226(14) Uani 1 1 d . . . . .
H130 H 0.795627 0.856053 0.210924 0.027 Uiso 1 1 calc R U . . .
C131 C 1.0391(4) 0.7422(3) 0.4662(3) 0.0118(11) Uani 1 1 d . . . . .
C132 C 1.0250(4) 0.6838(3) 0.4388(3) 0.0141(12) Uani 1 1 d . . . . .
H132 H 0.989279 0.677764 0.391980 0.017 Uiso 1 1 calc R U . . .
C133 C 1.0627(4) 0.6343(3) 0.4794(3) 0.0184(12) Uani 1 1 d . . . . .
H133 H 1.050862 0.594715 0.460644 0.022 Uiso 1 1 calc R U . . .
C134 C 1.1174(4) 0.6421(3) 0.5470(3) 0.0187(13) Uani 1 1 d . . . . .
H134 H 1.143545 0.608093 0.574324 0.022 Uiso 1 1 calc R U . . .
C135 C 1.1335(4) 0.7007(3) 0.5747(3) 0.0204(13) Uani 1 1 d . . . . .
H135 H 1.171446 0.706573 0.620745 0.024 Uiso 1 1 calc R U . . .
C136 C 1.0944(4) 0.7498(3) 0.5349(3) 0.0167(13) Uani 1 1 d . . . . .
H136 H 1.104949 0.789325 0.554266 0.020 Uiso 1 1 calc R U . . .
N1 N 0.3760(3) 0.1773(2) 0.0886(2) 0.0114(9) Uani 1 1 d . . . . .
N2 N 0.4950(3) 0.2105(2) 0.1799(2) 0.0112(10) Uani 1 1 d . . . . .
N3 N 0.4465(3) 0.0415(2) 0.0891(2) 0.0113(10) Uani 1 1 d . . . . .
N4 N 0.4386(3) 0.0777(2) 0.1987(2) 0.0115(9) Uani 1 1 d . . . . .
N5 N 0.0793(3) 0.3603(2) 0.1914(2) 0.0082(9) Uani 1 1 d . . . . .
N6 N 0.0332(3) 0.4591(2) 0.1631(2) 0.0102(9) Uani 1 1 d . . . . .
N7 N -0.0478(3) 0.3060(2) 0.0524(2) 0.0092(9) Uani 1 1 d . . . . .
N8 N 0.0474(3) 0.3811(2) 0.0301(2) 0.0109(9) Uani 1 1 d . . . . .
N9 N 0.5548(3) 0.6294(2) 0.2827(2) 0.0098(9) Uani 1 1 d . . . . .
N10 N 0.4643(3) 0.7056(2) 0.3093(2) 0.0109(10) Uani 1 1 d . . . . .
N11 N 0.5281(3) 0.5436(2) 0.4098(3) 0.0105(10) Uani 1 1 d . . . . .
N12 N 0.5892(3) 0.6375(2) 0.4421(2) 0.0091(9) Uani 1 1 d . . . . .
N13 N 0.9627(3) 0.9637(2) 0.3376(2) 0.0099(9) Uani 1 1 d . . . . .
N14 N 0.9498(3) 0.9285(2) 0.4457(2) 0.0094(9) Uani 1 1 d . . . . .
N15 N 0.8845(3) 0.8303(2) 0.3373(2) 0.0111(9) Uani 1 1 d . . . . .
N16 N 1.0013(3) 0.7943(2) 0.4275(2) 0.0101(9) Uani 1 1 d . . . . .
Zn1 Zn 0.45437(5) 0.12161(3) 0.04583(4) 0.01880(16) Uani 1 1 d . . . . .
Zn2 Zn 0.55020(5) 0.12915(3) 0.20170(4) 0.01938(16) Uani 1 1 d . . . . .
Zn3 Zn -0.04797(5) 0.33106(3) 0.14989(4) 0.01739(15) Uani 1 1 d . . . . .
Zn4 Zn -0.03090(5) 0.44235(3) 0.06314(4) 0.01758(15) Uani 1 1 d . . . . .
Zn5 Zn 0.47242(5) 0.56657(3) 0.30910(4) 0.01840(16) Uani 1 1 d . . . . .
Zn6 Zn 0.46233(5) 0.67306(3) 0.40403(4) 0.01851(16) Uani 1 1 d . . . . .
Zn7 Zn 0.96757(5) 0.88257(3) 0.29462(4) 0.01832(15) Uani 1 1 d . . . . .
Zn8 Zn 1.05945(5) 0.87480(3) 0.44960(4) 0.01859(16) 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'
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
C2 C1 C4 108.5(5) . . ?
C2 C1 C3 107.5(6) . . ?
C4 C1 C3 107.7(6) . . ?
C2 C1 Zn1 115.3(5) . . ?
C4 C1 Zn1 107.2(4) . . ?
C3 C1 Zn1 110.3(4) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C7 C5 C6 109.0(6) . . ?
C7 C5 C8 109.6(6) . . ?
C6 C5 C8 108.9(6) . . ?
C7 C5 Zn2 107.7(4) . . ?
C6 C5 Zn2 112.4(4) . . ?
C8 C5 Zn2 109.3(4) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 N2 122.7(5) . . ?
N1 C9 H9 118.7 . . ?
N2 C9 H9 118.7 . . ?
C15 C10 C11 118.9(5) . . ?
C15 C10 N1 121.8(5) . . ?
C11 C10 N1 119.2(5) . . ?
C12 C11 C10 120.7(5) . . ?
C12 C11 H11 119.6 . . ?
C10 C11 H11 119.6 . . ?
C11 C12 C13 120.6(5) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C14 C13 C12 118.6(5) . . ?
C14 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
C15 C14 C13 120.5(5) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C10 C15 C14 120.6(5) . . ?
C10 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C21 C16 C17 118.9(6) . . ?
C21 C16 N2 119.7(5) . . ?
C17 C16 N2 121.4(5) . . ?
C16 C17 C18 120.3(6) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C19 C18 C17 119.3(6) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C20 C19 C18 120.4(6) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 119.5(6) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
C16 C21 C20 121.6(6) . . ?
C16 C21 H21 119.2 . . ?
C20 C21 H21 119.2 . . ?
N4 C22 N3 121.1(5) . . ?
N4 C22 H22 119.4 . . ?
N3 C22 H22 119.4 . . ?
C28 C23 C24 119.5(6) . . ?
C28 C23 N3 121.3(5) . . ?
C24 C23 N3 119.2(5) . . ?
C25 C24 C23 119.0(6) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C26 C25 C24 121.5(6) . . ?
C26 C25 H25 119.3 . . ?
C24 C25 H25 119.3 . . ?
C25 C26 C27 119.7(6) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C28 C27 C26 119.9(6) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C23 120.4(6) . . ?
C27 C28 H28 119.8 . . ?
C23 C28 H28 119.8 . . ?
C30 C29 C34 119.5(5) . . ?
C30 C29 N4 122.3(5) . . ?
C34 C29 N4 118.2(5) . . ?
C31 C30 C29 119.5(5) . . ?
C31 C30 H30 120.3 . . ?
C29 C30 H30 120.3 . . ?
C32 C31 C30 121.6(6) . . ?
C32 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
C33 C32 C31 118.6(5) . . ?
C33 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
C32 C33 C34 122.0(5) . . ?
C32 C33 H33 119.0 . . ?
C34 C33 H33 119.0 . . ?
C33 C34 C29 118.9(5) . . ?
C33 C34 H34 120.5 . . ?
C29 C34 H34 120.5 . . ?
C38 C35 C37 109.8(5) . . ?
C38 C35 C36 107.4(5) . . ?
C37 C35 C36 109.2(5) . . ?
C38 C35 Zn3 108.1(4) . . ?
C37 C35 Zn3 111.4(4) . . ?
C36 C35 Zn3 110.8(4) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C42 C39 C40 108.6(5) . . ?
C42 C39 C41 108.2(5) . . ?
C40 C39 C41 109.2(5) . . ?
C42 C39 Zn4 109.3(4) . . ?
C40 C39 Zn4 110.5(4) . . ?
C41 C39 Zn4 111.0(4) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N6 C43 N5 122.7(5) . . ?
N6 C43 H43 118.7 . . ?
N5 C43 H43 118.7 . . ?
C49 C44 C45 119.2(5) . . ?
C49 C44 N5 119.3(5) . . ?
C45 C44 N5 121.4(5) . . ?
C46 C45 C44 120.0(5) . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C47 C46 C45 120.3(6) . . ?
C47 C46 H46 119.8 . . ?
C45 C46 H46 119.8 . . ?
C46 C47 C48 119.8(6) . . ?
C46 C47 H47 120.1 . . ?
C48 C47 H47 120.1 . . ?
C47 C48 C49 120.4(6) . . ?
C47 C48 H48 119.8 . . ?
C49 C48 H48 119.8 . . ?
C48 C49 C44 120.1(6) . . ?
C48 C49 H49 120.0 . . ?
C44 C49 H49 120.0 . . ?
C55 C50 C51 119.4(6) . . ?
C55 C50 N6 120.4(5) . . ?
C51 C50 N6 120.2(5) . . ?
C52 C51 C50 119.9(5) . . ?
C52 C51 H51 120.1 . . ?
C50 C51 H51 120.1 . . ?
C53 C52 C51 121.4(6) . . ?
C53 C52 H52 119.3 . . ?
C51 C52 H52 119.3 . . ?
C52 C53 C54 118.6(6) . . ?
C52 C53 H53 120.7 . . ?
C54 C53 H53 120.7 . . ?
C55 C54 C53 120.4(6) . . ?
C55 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
C50 C55 C54 120.2(6) . . ?
C50 C55 H55 119.9 . . ?
C54 C55 H55 119.9 . . ?
N8 C56 N7 121.1(5) . . ?
N8 C56 H56 119.4 . . ?
N7 C56 H56 119.4 . . ?
C58 C57 C62 118.2(5) . . ?
C58 C57 N7 120.1(5) . . ?
C62 C57 N7 121.6(5) . . ?
C59 C58 C57 121.1(5) . . ?
C59 C58 H58 119.4 . . ?
C57 C58 H58 119.4 . . ?
C60 C59 C58 120.7(6) . . ?
C60 C59 H59 119.7 . . ?
C58 C59 H59 119.7 . . ?
C59 C60 C61 119.2(6) . . ?
C59 C60 H60 120.4 . . ?
C61 C60 H60 120.4 . . ?
C62 C61 C60 120.4(6) . . ?
C62 C61 H61 119.8 . . ?
C60 C61 H61 119.8 . . ?
C61 C62 C57 120.3(5) . . ?
C61 C62 H62 119.9 . . ?
C57 C62 H62 119.9 . . ?
C68 C63 C64 118.9(5) . . ?
C68 C63 N8 118.8(5) . . ?
C64 C63 N8 122.3(5) . . ?
C63 C64 C65 121.0(6) . . ?
C63 C64 H64 119.5 . . ?
C65 C64 H64 119.5 . . ?
C64 C65 C66 119.8(6) . . ?
C64 C65 H65 120.1 . . ?
C66 C65 H65 120.1 . . ?
C67 C66 C65 119.1(6) . . ?
C67 C66 H66 120.5 . . ?
C65 C66 H66 120.5 . . ?
C66 C67 C68 120.9(6) . . ?
C66 C67 H67 119.5 . . ?
C68 C67 H67 119.5 . . ?
C63 C68 C67 120.3(6) . . ?
C63 C68 H68 119.8 . . ?
C67 C68 H68 119.8 . . ?
C72 C69 C71 108.5(5) . . ?
C72 C69 C70 108.3(5) . . ?
C71 C69 C70 108.6(5) . . ?
C72 C69 Zn5 108.4(4) . . ?
C71 C69 Zn5 113.3(4) . . ?
C70 C69 Zn5 109.6(4) . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C69 C72 H72A 109.5 . . ?
C69 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C69 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 C76 110.0(5) . . ?
C74 C73 C75 108.2(5) . . ?
C76 C73 C75 108.5(5) . . ?
C74 C73 Zn6 109.6(4) . . ?
C76 C73 Zn6 110.7(4) . . ?
C75 C73 Zn6 109.8(4) . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C73 C76 H76A 109.5 . . ?
C73 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N9 C77 N10 122.2(5) . . ?
N9 C77 H77 118.9 . . ?
N10 C77 H77 118.9 . . ?
C79 C78 C83 119.5(5) . . ?
C79 C78 N9 119.1(5) . . ?
C83 C78 N9 121.5(5) . . ?
C78 C79 C80 119.7(6) . . ?
C78 C79 H79 120.2 . . ?
C80 C79 H79 120.2 . . ?
C81 C80 C79 121.1(7) . . ?
C81 C80 H80 119.4 . . ?
C79 C80 H80 119.4 . . ?
C80 C81 C82 119.7(6) . . ?
C80 C81 H81 120.2 . . ?
C82 C81 H81 120.2 . . ?
C81 C82 C83 120.8(7) . . ?
C81 C82 H82 119.6 . . ?
C83 C82 H82 119.6 . . ?
C78 C83 C82 119.2(6) . . ?
C78 C83 H83 120.4 . . ?
C82 C83 H83 120.4 . . ?
C89 C84 C85 119.0(5) . . ?
C89 C84 N10 120.3(5) . . ?
C85 C84 N10 120.7(5) . . ?
C84 C85 C86 119.7(5) . . ?
C84 C85 H85 120.1 . . ?
C86 C85 H85 120.1 . . ?
C87 C86 C85 120.9(6) . . ?
C87 C86 H86 119.6 . . ?
C85 C86 H86 119.6 . . ?
C86 C87 C88 119.3(6) . . ?
C86 C87 H87 120.4 . . ?
C88 C87 H87 120.4 . . ?
C89 C88 C87 120.2(6) . . ?
C89 C88 H88 119.9 . . ?
C87 C88 H88 119.9 . . ?
C88 C89 C84 120.8(6) . . ?
C88 C89 H89 119.6 . . ?
C84 C89 H89 119.6 . . ?
N11 C90 N12 121.5(5) . . ?
N11 C90 H90 119.3 . . ?
N12 C90 H90 119.3 . . ?
C96 C91 C92 118.8(5) . . ?
C96 C91 N11 121.0(5) . . ?
C92 C91 N11 120.1(5) . . ?
C93 C92 C91 119.4(5) . . ?
C93 C92 H92 120.3 . . ?
C91 C92 H92 120.3 . . ?
C94 C93 C92 121.0(5) . . ?
C94 C93 H93 119.5 . . ?
C92 C93 H93 119.5 . . ?
C93 C94 C95 120.1(6) . . ?
C93 C94 H94 119.9 . . ?
C95 C94 H94 119.9 . . ?
C94 C95 C96 119.9(6) . . ?
C94 C95 H95 120.0 . . ?
C96 C95 H95 120.0 . . ?
C91 C96 C95 120.7(5) . . ?
C91 C96 H96 119.6 . . ?
C95 C96 H96 119.6 . . ?
C98 C97 C102 120.1(5) . . ?
C98 C97 N12 118.2(5) . . ?
C102 C97 N12 121.7(5) . . ?
C97 C98 C99 119.7(6) . . ?
C97 C98 H98 120.2 . . ?
C99 C98 H98 120.2 . . ?
C100 C99 C98 120.6(6) . . ?
C100 C99 H99 119.7 . . ?
C98 C99 H99 119.7 . . ?
C99 C100 C101 119.4(6) . . ?
C99 C100 H100 120.3 . . ?
C101 C100 H100 120.3 . . ?
C100 C101 C102 120.3(6) . . ?
C100 C101 H101 119.9 . . ?
C102 C101 H101 119.9 . . ?
C97 C102 C101 119.9(6) . . ?
C97 C102 H102 120.1 . . ?
C101 C102 H102 120.1 . . ?
C106 C103 C104 109.4(5) . . ?
C106 C103 C105 108.1(5) . . ?
C104 C103 C105 108.1(5) . . ?
C106 C103 Zn7 114.9(4) . . ?
C104 C103 Zn7 109.8(4) . . ?
C105 C103 Zn7 106.3(4) . . ?
C103 C104 H10A 109.5 . . ?
C103 C104 H10B 109.5 . . ?
H10A C104 H10B 109.5 . . ?
C103 C104 H10C 109.5 . . ?
H10A C104 H10C 109.5 . . ?
H10B C104 H10C 109.5 . . ?
C103 C105 H10D 109.5 . . ?
C103 C105 H10E 109.5 . . ?
H10D C105 H10E 109.5 . . ?
C103 C105 H10F 109.5 . . ?
H10D C105 H10F 109.5 . . ?
H10E C105 H10F 109.5 . . ?
C103 C106 H10G 109.5 . . ?
C103 C106 H10H 109.5 . . ?
H10G C106 H10H 109.5 . . ?
C103 C106 H10I 109.5 . . ?
H10G C106 H10I 109.5 . . ?
H10H C106 H10I 109.5 . . ?
C108 C107 C109 108.7(5) . . ?
C108 C107 C110 107.1(5) . . ?
C109 C107 C110 108.5(6) . . ?
C108 C107 Zn8 112.8(4) . . ?
C109 C107 Zn8 109.2(4) . . ?
C110 C107 Zn8 110.3(4) . . ?
C107 C108 H10J 109.5 . . ?
C107 C108 H10K 109.5 . . ?
H10J C108 H10K 109.5 . . ?
C107 C108 H10L 109.5 . . ?
H10J C108 H10L 109.5 . . ?
H10K C108 H10L 109.5 . . ?
C107 C109 H10M 109.5 . . ?
C107 C109 H10N 109.5 . . ?
H10M C109 H10N 109.5 . . ?
C107 C109 H10O 109.5 . . ?
H10M C109 H10O 109.5 . . ?
H10N C109 H10O 109.5 . . ?
C107 C110 H11A 109.5 . . ?
C107 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C107 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
N14 C111 N13 121.5(5) . . ?
N14 C111 H111 119.2 . . ?
N13 C111 H111 119.2 . . ?
C113 C112 C117 119.9(5) . . ?
C113 C112 N13 119.5(5) . . ?
C117 C112 N13 120.5(5) . . ?
C112 C113 C114 119.7(6) . . ?
C112 C113 H113 120.2 . . ?
C114 C113 H113 120.2 . . ?
C115 C114 C113 120.4(6) . . ?
C115 C114 H114 119.8 . . ?
C113 C114 H114 119.8 . . ?
C116 C115 C114 119.8(6) . . ?
C116 C115 H115 120.1 . . ?
C114 C115 H115 120.1 . . ?
C115 C116 C117 120.2(6) . . ?
C115 C116 H116 119.9 . . ?
C117 C116 H116 119.9 . . ?
C116 C117 C112 120.0(5) . . ?
C116 C117 H117 120.0 . . ?
C112 C117 H117 120.0 . . ?
C123 C118 C119 118.6(5) . . ?
C123 C118 N14 123.0(5) . . ?
C119 C118 N14 118.2(5) . . ?
C120 C119 C118 121.0(6) . . ?
C120 C119 H119 119.5 . . ?
C118 C119 H119 119.5 . . ?
C119 C120 C121 120.3(6) . . ?
C119 C120 H120 119.8 . . ?
C121 C120 H120 119.8 . . ?
C120 C121 C122 119.5(5) . . ?
C120 C121 H121 120.3 . . ?
C122 C121 H121 120.3 . . ?
C123 C122 C121 119.7(6) . . ?
C123 C122 H122 120.1 . . ?
C121 C122 H122 120.1 . . ?
C122 C123 C118 120.7(6) . . ?
C122 C123 H123 119.7 . . ?
C118 C123 H123 119.7 . . ?
N15 C124 N16 122.0(5) . . ?
N15 C124 H124 119.0 . . ?
N16 C124 H124 119.0 . . ?
C130 C125 C126 118.7(5) . . ?
C130 C125 N15 119.4(5) . . ?
C126 C125 N15 121.7(5) . . ?
C125 C126 C127 119.9(6) . . ?
C125 C126 H126 120.0 . . ?
C127 C126 H126 120.0 . . ?
C128 C127 C126 121.1(6) . . ?
C128 C127 H127 119.4 . . ?
C126 C127 H127 119.4 . . ?
C127 C128 C129 119.1(6) . . ?
C127 C128 H128 120.4 . . ?
C129 C128 H128 120.4 . . ?
C128 C129 C130 119.9(6) . . ?
C128 C129 H129 120.1 . . ?
C130 C129 H129 120.1 . . ?
C125 C130 C129 121.1(6) . . ?
C125 C130 H130 119.4 . . ?
C129 C130 H130 119.4 . . ?
C132 C131 C136 118.4(6) . . ?
C132 C131 N16 123.0(5) . . ?
C136 C131 N16 118.6(5) . . ?
C133 C132 C131 120.5(5) . . ?
C133 C132 H132 119.8 . . ?
C131 C132 H132 119.8 . . ?
C134 C133 C132 120.8(6) . . ?
C134 C133 H133 119.6 . . ?
C132 C133 H133 119.6 . . ?
C133 C134 C135 119.2(6) . . ?
C133 C134 H134 120.4 . . ?
C135 C134 H134 120.4 . . ?
C136 C135 C134 120.0(6) . . ?
C136 C135 H135 120.0 . . ?
C134 C135 H135 120.0 . . ?
C135 C136 C131 120.9(6) . . ?
C135 C136 H136 119.5 . . ?
C131 C136 H136 119.5 . . ?
C9 N1 C10 117.5(5) . . ?
C9 N1 Zn1 122.3(4) . . ?
C10 N1 Zn1 119.9(4) . . ?
C9 N2 C16 117.6(5) . . ?
C9 N2 Zn2 120.1(4) . . ?
C16 N2 Zn2 120.9(4) . . ?
C22 N3 C23 115.1(5) . . ?
C22 N3 Zn1 121.0(4) . . ?
C23 N3 Zn1 122.2(4) . . ?
C22 N4 C29 119.1(5) . . ?
C22 N4 Zn2 116.7(4) . . ?
C29 N4 Zn2 123.7(4) . . ?
C43 N5 C44 116.6(5) . . ?
C43 N5 Zn3 116.2(4) . . ?
C44 N5 Zn3 126.0(4) . . ?
C43 N6 C50 116.0(5) . . ?
C43 N6 Zn4 121.4(4) . . ?
C50 N6 Zn4 121.3(4) . . ?
C56 N7 C57 116.4(5) . . ?
C56 N7 Zn3 123.1(4) . . ?
C57 N7 Zn3 118.6(4) . . ?
C56 N8 C63 118.7(5) . . ?
C56 N8 Zn4 115.6(4) . . ?
C63 N8 Zn4 124.9(4) . . ?
C77 N9 C78 118.5(5) . . ?
C77 N9 Zn5 116.6(4) . . ?
C78 N9 Zn5 124.1(4) . . ?
C77 N10 C84 116.4(5) . . ?
C77 N10 Zn6 120.6(4) . . ?
C84 N10 Zn6 121.7(4) . . ?
C90 N11 C91 116.9(5) . . ?
C90 N11 Zn5 119.9(4) . . ?
C91 N11 Zn5 122.5(4) . . ?
C90 N12 C97 119.2(5) . . ?
C90 N12 Zn6 114.4(4) . . ?
C97 N12 Zn6 125.0(4) . . ?
C111 N13 C112 117.6(5) . . ?
C111 N13 Zn7 121.0(4) . . ?
C112 N13 Zn7 120.7(4) . . ?
C111 N14 C118 121.1(5) . . ?
C111 N14 Zn8 115.5(4) . . ?
C118 N14 Zn8 123.0(4) . . ?
C124 N15 C125 118.8(5) . . ?
C124 N15 Zn7 121.1(4) . . ?
C125 N15 Zn7 119.9(4) . . ?
C124 N16 C131 117.6(5) . . ?
C124 N16 Zn8 120.3(4) . . ?
C131 N16 Zn8 120.8(4) . . ?
N3 Zn1 C1 137.8(2) . . ?
N3 Zn1 N1 105.22(19) . . ?
C1 Zn1 N1 116.8(2) . . ?
N3 Zn1 Zn2 71.64(14) . . ?
C1 Zn1 Zn2 114.59(19) . . ?
N1 Zn1 Zn2 74.84(13) . . ?
N2 Zn2 C5 138.9(2) . . ?
N2 Zn2 N4 101.24(19) . . ?
C5 Zn2 N4 119.8(2) . . ?
N2 Zn2 Zn1 76.29(14) . . ?
C5 Zn2 Zn1 114.67(18) . . ?
N4 Zn2 Zn1 75.59(13) . . ?
N7 Zn3 C35 133.4(2) . . ?
N7 Zn3 N5 104.20(19) . . ?
C35 Zn3 N5 122.4(2) . . ?
N7 Zn3 Zn4 70.72(14) . . ?
C35 Zn3 Zn4 117.44(18) . . ?
N5 Zn3 Zn4 75.94(13) . . ?
C39 Zn4 N6 131.7(2) . . ?
C39 Zn4 N8 123.4(2) . . ?
N6 Zn4 N8 104.79(19) . . ?
C39 Zn4 Zn3 117.43(17) . . ?
N6 Zn4 Zn3 72.02(14) . . ?
N8 Zn4 Zn3 76.94(14) . . ?
C69 Zn5 N11 128.8(2) . . ?
C69 Zn5 N9 124.0(2) . . ?
N11 Zn5 N9 106.69(19) . . ?
C69 Zn5 Zn6 113.06(18) . . ?
N11 Zn5 Zn6 70.62(14) . . ?
N9 Zn5 Zn6 75.62(13) . . ?
N10 Zn6 C73 132.3(2) . . ?
N10 Zn6 N12 104.19(19) . . ?
C73 Zn6 N12 123.5(2) . . ?
N10 Zn6 Zn5 72.32(15) . . ?
C73 Zn6 Zn5 119.00(18) . . ?
N12 Zn6 Zn5 74.69(13) . . ?
C103 Zn7 N13 138.4(2) . . ?
C103 Zn7 N15 117.2(2) . . ?
N13 Zn7 N15 104.27(19) . . ?
C103 Zn7 Zn8 115.35(17) . . ?
N13 Zn7 Zn8 71.55(14) . . ?
N15 Zn7 Zn8 74.69(13) . . ?
C107 Zn8 N16 137.7(2) . . ?
C107 Zn8 N14 120.6(2) . . ?
N16 Zn8 N14 101.44(19) . . ?
C107 Zn8 Zn7 115.86(18) . . ?
N16 Zn8 Zn7 76.22(14) . . ?
N14 Zn8 Zn7 75.97(13) . . ?
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 C2 1.511(9) . ?
C1 C4 1.526(9) . ?
C1 C3 1.556(9) . ?
C1 Zn1 1.991(6) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C7 1.523(9) . ?
C5 C6 1.525(8) . ?
C5 C8 1.527(9) . ?
C5 Zn2 1.998(6) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 N1 1.312(7) . ?
C9 N2 1.335(7) . ?
C9 H9 0.9500 . ?
C10 C15 1.386(8) . ?
C10 C11 1.398(8) . ?
C10 N1 1.416(7) . ?
C11 C12 1.379(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.397(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.397(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.391(8) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.369(8) . ?
C16 C17 1.393(8) . ?
C16 N2 1.420(7) . ?
C17 C18 1.407(8) . ?
C17 H17 0.9500 . ?
C18 C19 1.389(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.374(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.398(8) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 N4 1.320(7) . ?
C22 N3 1.341(7) . ?
C22 H22 0.9500 . ?
C23 C28 1.397(9) . ?
C23 C24 1.405(8) . ?
C23 N3 1.428(7) . ?
C24 C25 1.398(9) . ?
C24 H24 0.9500 . ?
C25 C26 1.373(10) . ?
C25 H25 0.9500 . ?
C26 C27 1.398(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.394(8) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.394(8) . ?
C29 C34 1.408(8) . ?
C29 N4 1.416(7) . ?
C30 C31 1.388(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.382(8) . ?
C31 H31 0.9500 . ?
C32 C33 1.372(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.387(8) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C38 1.525(9) . ?
C35 C37 1.525(8) . ?
C35 C36 1.534(8) . ?
C35 Zn3 1.989(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C42 1.523(8) . ?
C39 C40 1.524(8) . ?
C39 C41 1.535(8) . ?
C39 Zn4 1.971(5) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 N6 1.312(7) . ?
C43 N5 1.332(7) . ?
C43 H43 0.9500 . ?
C44 C49 1.392(8) . ?
C44 C45 1.406(8) . ?
C44 N5 1.410(7) . ?
C45 C46 1.390(8) . ?
C45 H45 0.9500 . ?
C46 C47 1.386(9) . ?
C46 H46 0.9500 . ?
C47 C48 1.389(9) . ?
C47 H47 0.9500 . ?
C48 C49 1.392(8) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C55 1.385(8) . ?
C50 C51 1.394(8) . ?
C50 N6 1.435(7) . ?
C51 C52 1.378(8) . ?
C51 H51 0.9500 . ?
C52 C53 1.377(8) . ?
C52 H52 0.9500 . ?
C53 C54 1.401(9) . ?
C53 H53 0.9500 . ?
C54 C55 1.386(9) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 N8 1.322(7) . ?
C56 N7 1.340(7) . ?
C56 H56 0.9500 . ?
C57 C58 1.398(8) . ?
C57 C62 1.403(7) . ?
C57 N7 1.415(7) . ?
C58 C59 1.389(8) . ?
C58 H58 0.9500 . ?
C59 C60 1.377(8) . ?
C59 H59 0.9500 . ?
C60 C61 1.403(8) . ?
C60 H60 0.9500 . ?
C61 C62 1.396(8) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C68 1.389(8) . ?
C63 C64 1.393(8) . ?
C63 N8 1.404(7) . ?
C64 C65 1.394(9) . ?
C64 H64 0.9500 . ?
C65 C66 1.401(10) . ?
C65 H65 0.9500 . ?
C66 C67 1.382(10) . ?
C66 H66 0.9500 . ?
C67 C68 1.395(9) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C72 1.527(8) . ?
C69 C71 1.530(8) . ?
C69 C70 1.532(8) . ?
C69 Zn5 1.982(5) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.514(8) . ?
C73 C76 1.523(8) . ?
C73 C75 1.542(8) . ?
C73 Zn6 2.001(5) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 N9 1.318(7) . ?
C77 N10 1.330(7) . ?
C77 H77 0.9500 . ?
C78 C79 1.392(8) . ?
C78 C83 1.400(8) . ?
C78 N9 1.413(7) . ?
C79 C80 1.396(9) . ?
C79 H79 0.9500 . ?
C80 C81 1.366(11) . ?
C80 H80 0.9500 . ?
C81 C82 1.377(11) . ?
C81 H81 0.9500 . ?
C82 C83 1.402(8) . ?
C82 H82 0.9500 . ?
C83 H83 0.9500 . ?
C84 C89 1.397(8) . ?
C84 C85 1.402(8) . ?
C84 N10 1.422(7) . ?
C85 C86 1.405(8) . ?
C85 H85 0.9500 . ?
C86 C87 1.386(9) . ?
C86 H86 0.9500 . ?
C87 C88 1.399(9) . ?
C87 H87 0.9500 . ?
C88 C89 1.391(8) . ?
C88 H88 0.9500 . ?
C89 H89 0.9500 . ?
C90 N11 1.315(7) . ?
C90 N12 1.320(8) . ?
C90 H90 0.9500 . ?
C91 C96 1.387(8) . ?
C91 C92 1.408(8) . ?
C91 N11 1.422(7) . ?
C92 C93 1.401(8) . ?
C92 H92 0.9500 . ?
C93 C94 1.357(9) . ?
C93 H93 0.9500 . ?
C94 C95 1.388(9) . ?
C94 H94 0.9500 . ?
C95 C96 1.391(8) . ?
C95 H95 0.9500 . ?
C96 H96 0.9500 . ?
C97 C98 1.374(8) . ?
C97 C102 1.383(8) . ?
C97 N12 1.427(7) . ?
C98 C99 1.394(8) . ?
C98 H98 0.9500 . ?
C99 C100 1.375(9) . ?
C99 H99 0.9500 . ?
C100 C101 1.382(9) . ?
C100 H100 0.9500 . ?
C101 C102 1.388(8) . ?
C101 H101 0.9500 . ?
C102 H102 0.9500 . ?
C103 C106 1.532(8) . ?
C103 C104 1.534(8) . ?
C103 C105 1.547(8) . ?
C103 Zn7 1.987(6) . ?
C104 H10A 0.9800 . ?
C104 H10B 0.9800 . ?
C104 H10C 0.9800 . ?
C105 H10D 0.9800 . ?
C105 H10E 0.9800 . ?
C105 H10F 0.9800 . ?
C106 H10G 0.9800 . ?
C106 H10H 0.9800 . ?
C106 H10I 0.9800 . ?
C107 C108 1.534(8) . ?
C107 C109 1.541(8) . ?
C107 C110 1.552(9) . ?
C107 Zn8 1.977(6) . ?
C108 H10J 0.9800 . ?
C108 H10K 0.9800 . ?
C108 H10L 0.9800 . ?
C109 H10M 0.9800 . ?
C109 H10N 0.9800 . ?
C109 H10O 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 N14 1.319(7) . ?
C111 N13 1.323(7) . ?
C111 H111 0.9500 . ?
C112 C113 1.385(8) . ?
C112 C117 1.404(8) . ?
C112 N13 1.430(7) . ?
C113 C114 1.403(8) . ?
C113 H113 0.9500 . ?
C114 C115 1.388(9) . ?
C114 H114 0.9500 . ?
C115 C116 1.388(8) . ?
C115 H115 0.9500 . ?
C116 C117 1.391(8) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C123 1.394(8) . ?
C118 C119 1.398(8) . ?
C118 N14 1.409(7) . ?
C119 C120 1.376(8) . ?
C119 H119 0.9500 . ?
C120 C121 1.386(8) . ?
C120 H120 0.9500 . ?
C121 C122 1.404(9) . ?
C121 H121 0.9500 . ?
C122 C123 1.388(8) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
C124 N15 1.322(7) . ?
C124 N16 1.322(7) . ?
C124 H124 0.9500 . ?
C125 C130 1.378(8) . ?
C125 C126 1.391(8) . ?
C125 N15 1.407(7) . ?
C126 C127 1.395(8) . ?
C126 H126 0.9500 . ?
C127 C128 1.369(9) . ?
C127 H127 0.9500 . ?
C128 C129 1.390(9) . ?
C128 H128 0.9500 . ?
C129 C130 1.391(8) . ?
C129 H129 0.9500 . ?
C130 H130 0.9500 . ?
C131 C132 1.395(8) . ?
C131 C136 1.407(8) . ?
C131 N16 1.420(7) . ?
C132 C133 1.390(8) . ?
C132 H132 0.9500 . ?
C133 C134 1.386(9) . ?
C133 H133 0.9500 . ?
C134 C135 1.402(9) . ?
C134 H134 0.9500 . ?
C135 C136 1.383(8) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?
N1 Zn1 2.034(5) . ?
N2 Zn2 1.987(5) . ?
N3 Zn1 1.980(5) . ?
N4 Zn2 2.034(5) . ?
N5 Zn3 2.012(4) . ?
N6 Zn4 1.990(5) . ?
N7 Zn3 1.987(5) . ?
N8 Zn4 2.014(5) . ?
N9 Zn5 2.023(5) . ?
N10 Zn6 1.994(5) . ?
N11 Zn5 2.006(5) . ?
N12 Zn6 2.046(4) . ?
N13 Zn7 1.991(5) . ?
N14 Zn8 2.035(4) . ?
N15 Zn7 2.039(5) . ?
N16 Zn8 1.988(5) . ?
Zn1 Zn2 3.0379(10) . ?
Zn3 Zn4 3.0376(10) . ?
Zn5 Zn6 3.0268(10) . ?
Zn7 Zn8 3.0094(10) . ?
