#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:30:02 +0100 (jue 07 de nov de 2019) $
#$Revision: 224030 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/12/7701260.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_7701260
loop_
_publ_author_name
'Huang, Chao'
'Zhu, Kaifang'
'Zhang, Yingying'
'Lu, Guizhen'
'Shao, Zhichao'
'Gao, Kuan'
'Mi, Liwei'
'Hou, Hongwei'
_publ_section_title
;
 Surfactant-assisted assembly of nanoscale zinc coordination compounds to
 enhance tandem conversion reactions in water.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16008
_journal_page_last               16016
_journal_paper_doi               10.1039/c9dt03145f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C34 H26 N24 Zn3'
_chemical_formula_sum            'C34 H28 N24 O Zn3'
_chemical_formula_weight         984.91
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2019-08-25
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2019-08-26 deposited with the CCDC.    2019-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.86(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.061(3)
_cell_length_b                   18.967(4)
_cell_length_c                   17.270(4)
_cell_measurement_reflns_used    9404
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8366
_cell_measurement_theta_min      1.5725
_cell_volume                     4695.6(19)
_computing_cell_refinement       'Rigaku Saturn 724 CCD'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'SHELXL(Sheldrick, 2018)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_unetI/netI     0.0735
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32230
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.573
_exptl_absorpt_coefficient_mu    1.575
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8654
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2006)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_description       block
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.368
_refine_diff_density_min         -0.347
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     554
_refine_ls_number_reflns         8730
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0588
_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)+(0.0545P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1347
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6457
_reflns_number_total             8730
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt03145f2.cif
_cod_data_source_block           a_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7701260--7701261.cif.
;
_cod_original_cell_volume        4695.6(18)
_cod_database_code               7701260
_shelx_shelxl_version_number     2018/3
_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_max   0.744
_shelx_estimated_absorpt_t_min   0.649
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C7(H7), C10(H10), C13(H13), C16(H16), C17(H17), C20(H20),
 C23(H23), C24(H24), C27(H27), C30(H30), C33(H33), C34(H34)
2.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C15(H15A,H15B,H15C), C26(H26A,H26B,H26C), C32(H32A,H32B,H32C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Zn1 Zn 0.74003(3) 1.09395(3) 0.53806(3) 0.03495(16) Uani 1 1 d .
Zn2 Zn 1.09778(4) 1.20735(3) 0.75637(3) 0.04148(18) Uani 1 1 d .
Zn3 Zn 1.07171(4) 0.88842(3) 0.74156(3) 0.03882(17) Uani 1 1 d .
N1 N 1.3975(2) 0.7604(2) 0.6421(2) 0.0396(10) Uani 1 1 d .
N2 N 1.4642(3) 0.7531(2) 0.6042(3) 0.0514(11) Uani 1 1 d .
N3 N 1.4418(3) 0.7934(2) 0.5402(3) 0.0474(11) Uani 1 1 d .
N4 N 1.3616(2) 0.8281(2) 0.5346(2) 0.0389(9) Uani 1 1 d .
N5 N 1.1964(2) 0.8753(2) 0.5505(2) 0.0362(9) Uani 1 1 d .
N6 N 1.1348(2) 0.8711(2) 0.6532(2) 0.0381(9) Uani 1 1 d .
N7 N 1.3142(3) 0.7582(2) 0.7898(2) 0.0424(10) Uani 1 1 d .
N8 N 1.3110(3) 0.7479(2) 0.8669(3) 0.0582(13) Uani 1 1 d .
N9 N 1.2427(3) 0.7843(3) 0.8774(3) 0.0592(13) Uani 1 1 d .
N10 N 1.1980(3) 0.8188(2) 0.8072(2) 0.0454(10) Uani 1 1 d .
N11 N 0.9560(3) 0.8139(2) 0.6969(2) 0.0386(9) Uani 1 1 d .
N12 N 1.0137(3) 0.8794(2) 0.8384(2) 0.0443(10) Uani 1 1 d .
N13 N 1.1457(3) 0.9917(2) 0.7876(2) 0.0451(10) Uani 1 1 d .
N14 N 1.2276(3) 1.0203(3) 0.8344(3) 0.0590(13) Uani 1 1 d .
N15 N 1.2228(3) 1.0885(2) 0.8296(3) 0.0554(12) Uani 1 1 d .
N16 N 1.1371(3) 1.1066(2) 0.7783(2) 0.0386(10) Uani 1 1 d .
N17 N 0.9773(2) 0.96641(19) 0.6754(2) 0.0349(9) Uani 1 1 d .
N18 N 0.8584(2) 1.03663(18) 0.6081(2) 0.0352(9) Uani 1 1 d .
N19 N 0.9640(2) 1.20528(19) 0.6911(2) 0.0407(10) Uani 1 1 d .
N20 N 0.9092(3) 1.2642(2) 0.6768(3) 0.0554(12) Uani 1 1 d .
N21 N 0.8239(3) 1.2460(2) 0.6367(3) 0.0511(11) Uani 1 1 d .
N22 N 0.8209(2) 1.17497(19) 0.6243(2) 0.0378(9) Uani 1 1 d .
N23 N 0.6749(2) 1.0021(2) 0.4693(2) 0.0390(9) Uani 1 1 d .
N24 N 0.6583(2) 1.05253(19) 0.6073(2) 0.0374(9) Uani 1 1 d .
C1 C 1.3363(3) 0.8065(2) 0.5980(3) 0.0330(10) Uani 1 1 d .
C2 C 1.2532(3) 0.8339(2) 0.6118(3) 0.0328(10) Uani 1 1 d .
C3 C 1.1278(3) 0.8956(2) 0.5793(3) 0.0414(12) Uani 1 1 d .
H3 H 1.079053 0.924472 0.550256 0.050 Uiso 1 1 calc R
C4 C 1.2155(3) 0.8310(2) 0.6743(3) 0.0330(10) Uani 1 1 d .
C5 C 1.2444(3) 0.8016(2) 0.7555(3) 0.0373(11) Uani 1 1 d .
C6 C 0.9292(4) 0.7829(3) 0.6244(3) 0.0553(14) Uani 1 1 d .
H6 H 0.970021 0.783398 0.593455 0.066 Uiso 1 1 calc R
C7 C 0.8451(4) 0.7503(3) 0.5928(4) 0.0670(17) Uani 1 1 d .
H7 H 0.829564 0.729897 0.541453 0.080 Uiso 1 1 calc R
C8 C 0.7832(4) 0.7477(3) 0.6371(4) 0.0731(19) Uani 1 1 d .
C9 C 0.6890(5) 0.7107(5) 0.6051(5) 0.130(4) Uani 1 1 d .
H9A H 0.696870 0.661141 0.616179 0.195 Uiso 1 1 calc GR
H9B H 0.664105 0.718027 0.547438 0.195 Uiso 1 1 calc GR
H9C H 0.646671 0.729764 0.631454 0.195 Uiso 1 1 calc GR
C10 C 0.8103(4) 0.7808(3) 0.7121(4) 0.0609(16) Uani 1 1 d .
H10 H 0.770270 0.781004 0.743768 0.073 Uiso 1 1 calc R
C11 C 0.8961(3) 0.8134(2) 0.7406(3) 0.0405(12) Uani 1 1 d .
C12 C 0.9293(3) 0.8491(3) 0.8204(3) 0.0412(12) Uani 1 1 d .
C13 C 0.8785(4) 0.8514(3) 0.8743(4) 0.0596(15) Uani 1 1 d .
H13 H 0.819407 0.831248 0.859849 0.072 Uiso 1 1 calc R
C14 C 0.9140(5) 0.8833(3) 0.9498(4) 0.0652(17) Uani 1 1 d .
C15 C 0.8582(6) 0.8900(4) 1.0074(4) 0.108(3) Uani 1 1 d .
H15A H 0.813368 0.927294 0.989599 0.163 Uiso 1 1 calc GR
H15B H 0.898950 0.900666 1.060850 0.163 Uiso 1 1 calc GR
H15C H 0.826229 0.846493 1.008891 0.163 Uiso 1 1 calc GR
C16 C 1.0032(5) 0.9103(3) 0.9696(4) 0.0666(17) Uani 1 1 d .
H16 H 1.031094 0.929727 1.020734 0.080 Uiso 1 1 calc R
C17 C 1.0509(4) 0.9082(3) 0.9124(3) 0.0568(15) Uani 1 1 d .
H17 H 1.110568 0.927388 0.925762 0.068 Uiso 1 1 calc R
C18 C 0.9075(3) 1.1524(2) 0.6584(3) 0.0331(11) Uani 1 1 d .
C19 C 0.9282(3) 1.0782(2) 0.6569(3) 0.0308(10) Uani 1 1 d .
C20 C 0.8920(3) 0.9709(2) 0.6227(3) 0.0370(11) Uani 1 1 d .
H20 H 0.858303 0.931549 0.597893 0.044 Uiso 1 1 calc R
C21 C 1.0008(3) 1.0350(2) 0.6970(3) 0.0324(10) Uani 1 1 d .
C22 C 1.0926(3) 1.0459(2) 0.7537(3) 0.0362(11) Uani 1 1 d .
C23 C 0.6558(4) 1.0787(3) 0.6780(3) 0.0525(14) Uani 1 1 d .
H23 H 0.682588 1.122594 0.694174 0.063 Uiso 1 1 calc R
C24 C 0.6152(4) 1.0435(3) 0.7282(4) 0.0662(17) Uani 1 1 d .
H24 H 0.615501 1.063221 0.777507 0.079 Uiso 1 1 calc R
C25 C 0.5740(4) 0.9783(3) 0.7046(4) 0.0638(16) Uani 1 1 d .
C26 C 0.5278(6) 0.9377(4) 0.7569(5) 0.107(3) Uani 1 1 d .
H26A H 0.492707 0.899270 0.726185 0.160 Uiso 1 1 calc GR
H26B H 0.486759 0.968442 0.774033 0.160 Uiso 1 1 calc GR
H26C H 0.574695 0.919641 0.803868 0.160 Uiso 1 1 calc GR
C27 C 0.5765(4) 0.9517(3) 0.6316(4) 0.0538(14) Uani 1 1 d .
H27 H 0.549818 0.907982 0.614116 0.065 Uiso 1 1 calc R
C28 C 0.6183(3) 0.9892(2) 0.5838(3) 0.0406(12) Uani 1 1 d .
C29 C 0.6241(3) 0.9625(2) 0.5049(3) 0.0398(12) Uani 1 1 d .
C30 C 0.5828(4) 0.9007(3) 0.4689(3) 0.0524(14) Uani 1 1 d .
H30 H 0.548297 0.873974 0.494577 0.063 Uiso 1 1 calc R
C31 C 0.5915(4) 0.8776(3) 0.3958(4) 0.0581(16) Uani 1 1 d .
C32 C 0.5447(4) 0.8107(3) 0.3575(4) 0.090(2) Uani 1 1 d .
H32A H 0.534149 0.812509 0.299774 0.134 Uiso 1 1 calc GR
H32B H 0.486069 0.805705 0.368099 0.134 Uiso 1 1 calc GR
H32C H 0.583921 0.771173 0.379962 0.134 Uiso 1 1 calc GR
C33 C 0.6427(4) 0.9191(3) 0.3609(4) 0.0678(17) Uani 1 1 d .
H33 H 0.650258 0.905941 0.311497 0.081 Uiso 1 1 calc R
C34 C 0.6826(4) 0.9797(3) 0.3978(3) 0.0582(15) Uani 1 1 d .
H34 H 0.716973 1.006806 0.372357 0.070 Uiso 1 1 calc R
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
N4 Zn1 N22 93.43(14) 3_776 .
N5 Zn1 N4 78.13(14) 3_776 3_776
N5 Zn1 N18 93.76(14) 3_776 .
N5 Zn1 N22 90.97(15) 3_776 .
N5 Zn1 N23 93.13(15) 3_776 .
N18 Zn1 N4 167.70(14) . 3_776
N18 Zn1 N22 77.32(14) . .
N18 Zn1 N23 93.48(14) . .
N23 Zn1 N4 96.16(14) . 3_776
N23 Zn1 N22 170.17(14) . .
N24 Zn1 N4 98.50(14) . 3_776
N24 Zn1 N5 168.81(14) . 3_776
N24 Zn1 N18 91.16(14) . .
N24 Zn1 N22 99.92(15) . .
N24 Zn1 N23 76.53(15) . .
N7 Zn2 N1 104.94(15) 2_756 2_756
N7 Zn2 N16 110.02(16) 2_756 .
N16 Zn2 N1 112.65(16) . 2_756
N19 Zn2 N1 105.34(16) . 2_756
N19 Zn2 N7 117.79(16) . 2_756
N19 Zn2 N16 106.17(15) . .
N6 Zn3 N10 76.93(14) . .
N6 Zn3 N11 97.71(15) . .
N6 Zn3 N12 165.79(15) . .
N6 Zn3 N13 96.28(15) . .
N6 Zn3 N17 95.62(14) . .
N11 Zn3 N10 104.53(15) . .
N11 Zn3 N13 158.45(14) . .
N12 Zn3 N10 92.49(15) . .
N12 Zn3 N11 75.54(16) . .
N12 Zn3 N13 93.97(16) . .
N12 Zn3 N17 96.34(15) . .
N13 Zn3 N10 94.54(15) . .
N17 Zn3 N10 167.67(15) . .
N17 Zn3 N11 86.05(14) . .
N17 Zn3 N13 76.33(14) . .
N2 N1 Zn2 122.3(3) . 2_746
C1 N1 Zn2 131.6(3) . 2_746
C1 N1 N2 106.0(4) . .
N3 N2 N1 108.1(4) . .
N2 N3 N4 109.8(4) . .
N3 N4 Zn1 144.1(3) . 3_776
C1 N4 Zn1 110.4(3) . 3_776
C1 N4 N3 105.5(4) . .
C2 N5 Zn1 113.5(3) . 3_776
C3 N5 Zn1 139.7(3) . 3_776
C3 N5 C2 104.2(4) . .
C3 N6 Zn3 137.4(3) . .
C3 N6 C4 104.5(4) . .
C4 N6 Zn3 117.4(3) . .
N8 N7 Zn2 123.3(3) . 2_746
C5 N7 Zn2 131.0(3) . 2_746
C5 N7 N8 105.4(4) . .
N9 N8 N7 109.1(4) . .
N8 N9 N10 109.2(4) . .
N9 N10 Zn3 145.2(3) . .
C5 N10 Zn3 109.5(3) . .
C5 N10 N9 105.2(4) . .
C6 N11 Zn3 126.6(4) . .
C6 N11 C11 117.6(4) . .
C11 N11 Zn3 114.0(3) . .
C12 N12 Zn3 116.3(3) . .
C12 N12 C17 118.9(5) . .
C17 N12 Zn3 124.5(4) . .
N14 N13 Zn3 143.9(3) . .
C22 N13 Zn3 110.5(3) . .
C22 N13 N14 105.5(4) . .
N15 N14 N13 109.7(4) . .
N14 N15 N16 108.3(4) . .
N15 N16 Zn2 121.9(3) . .
C22 N16 Zn2 132.3(3) . .
C22 N16 N15 105.8(4) . .
C20 N17 Zn3 139.4(3) . .
C20 N17 C21 103.9(4) . .
C21 N17 Zn3 116.1(3) . .
C19 N18 Zn1 113.9(3) . .
C20 N18 Zn1 141.9(3) . .
C20 N18 C19 104.2(3) . .
N20 N19 Zn2 122.5(3) . .
C18 N19 Zn2 131.7(3) . .
C18 N19 N20 105.7(4) . .
N21 N20 N19 108.7(4) . .
N20 N21 N22 108.9(4) . .
N21 N22 Zn1 140.6(3) . .
C18 N22 Zn1 109.7(3) . .
C18 N22 N21 105.6(3) . .
C29 N23 Zn1 115.0(3) . .
C34 N23 Zn1 127.3(3) . .
C34 N23 C29 117.7(4) . .
C23 N24 Zn1 124.5(3) . .
C23 N24 C28 118.3(4) . .
C28 N24 Zn1 116.4(3) . .
N1 C1 N4 110.6(4) . .
N1 C1 C2 128.9(4) . .
N4 C1 C2 120.5(4) . .
N5 C2 C1 116.2(4) . .
C4 C2 N5 108.6(4) . .
C4 C2 C1 135.1(4) . .
N5 C3 H3 122.8 . .
N6 C3 N5 114.4(4) . .
N6 C3 H3 122.8 . .
N6 C4 C5 116.6(4) . .
C2 C4 N6 108.2(4) . .
C2 C4 C5 135.0(4) . .
N7 C5 N10 111.1(4) . .
N7 C5 C4 129.5(4) . .
N10 C5 C4 119.4(4) . .
N11 C6 H6 118.2 . .
N11 C6 C7 123.6(6) . .
C7 C6 H6 118.2 . .
C6 C7 H7 120.0 . .
C6 C7 C8 119.9(6) . .
C8 C7 H7 120.0 . .
C7 C8 C9 121.8(6) . .
C7 C8 C10 116.6(5) . .
C10 C8 C9 121.5(6) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10 119.6 . .
C11 C10 C8 120.8(6) . .
C11 C10 H10 119.6 . .
N11 C11 C10 121.4(5) . .
N11 C11 C12 115.3(4) . .
C10 C11 C12 123.3(5) . .
N12 C12 C11 116.0(4) . .
N12 C12 C13 121.0(5) . .
C13 C12 C11 123.1(5) . .
C12 C13 H13 119.5 . .
C12 C13 C14 121.0(6) . .
C14 C13 H13 119.5 . .
C13 C14 C15 122.0(6) . .
C16 C14 C13 117.4(6) . .
C16 C14 C15 120.5(6) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16 120.3 . .
C14 C16 C17 119.4(6) . .
C17 C16 H16 120.3 . .
N12 C17 C16 122.1(5) . .
N12 C17 H17 118.9 . .
C16 C17 H17 118.9 . .
N19 C18 N22 111.2(4) . .
N19 C18 C19 129.2(4) . .
N22 C18 C19 119.6(4) . .
N18 C19 C18 116.2(4) . .
C21 C19 N18 107.9(4) . .
C21 C19 C18 135.7(4) . .
N17 C20 N18 114.7(4) . .
N17 C20 H20 122.6 . .
N18 C20 H20 122.6 . .
N17 C21 C19 109.3(4) . .
N17 C21 C22 115.8(4) . .
C19 C21 C22 135.0(4) . .
N13 C22 N16 110.7(4) . .
N13 C22 C21 120.8(4) . .
N16 C22 C21 128.5(4) . .
N24 C23 H23 118.7 . .
N24 C23 C24 122.7(5) . .
C24 C23 H23 118.7 . .
C23 C24 H24 120.2 . .
C23 C24 C25 119.6(5) . .
C25 C24 H24 120.2 . .
C24 C25 C26 121.8(6) . .
C27 C25 C24 117.5(5) . .
C27 C25 C26 120.7(6) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26B 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27 119.8 . .
C25 C27 C28 120.5(5) . .
C28 C27 H27 119.8 . .
N24 C28 C27 121.5(5) . .
N24 C28 C29 115.8(4) . .
C27 C28 C29 122.7(5) . .
N23 C29 C28 115.6(4) . .
N23 C29 C30 120.4(5) . .
C30 C29 C28 124.0(5) . .
C29 C30 H30 119.2 . .
C31 C30 C29 121.7(5) . .
C31 C30 H30 119.2 . .
C30 C31 C32 120.5(6) . .
C33 C31 C30 116.5(5) . .
C33 C31 C32 123.0(6) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33 119.7 . .
C34 C33 C31 120.6(6) . .
C34 C33 H33 119.7 . .
N23 C34 C33 123.1(5) . .
N23 C34 H34 118.4 . .
C33 C34 H34 118.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N4 2.219(4) 3_776
Zn1 N5 2.119(4) 3_776
Zn1 N18 2.122(4) .
Zn1 N22 2.225(4) .
Zn1 N23 2.167(4) .
Zn1 N24 2.113(4) .
Zn2 N1 2.005(4) 2_756
Zn2 N7 1.993(4) 2_756
Zn2 N16 2.002(4) .
Zn2 N19 1.985(4) .
Zn3 N6 2.058(4) .
Zn3 N10 2.307(4) .
Zn3 N11 2.192(4) .
Zn3 N12 2.118(4) .
Zn3 N13 2.273(4) .
Zn3 N17 2.125(4) .
N1 N2 1.363(5) .
N1 C1 1.328(5) .
N2 N3 1.301(5) .
N3 N4 1.353(5) .
N4 C1 1.329(5) .
N5 C2 1.383(5) .
N5 C3 1.334(6) .
N6 C3 1.331(6) .
N6 C4 1.383(5) .
N7 N8 1.360(5) .
N7 C5 1.323(5) .
N8 N9 1.297(6) .
N9 N10 1.360(5) .
N10 C5 1.332(6) .
N11 C6 1.330(6) .
N11 C11 1.342(6) .
N12 C12 1.342(6) .
N12 C17 1.344(6) .
N13 N14 1.362(5) .
N13 C22 1.324(6) .
N14 N15 1.298(6) .
N15 N16 1.366(5) .
N16 C22 1.335(5) .
N17 C20 1.331(5) .
N17 C21 1.370(5) .
N18 C19 1.376(5) .
N18 C20 1.339(5) .
N19 N20 1.366(5) .
N19 C18 1.323(5) .
N20 N21 1.306(5) .
N21 N22 1.363(5) .
N22 C18 1.326(5) .
N23 C29 1.348(6) .
N23 C34 1.344(6) .
N24 C23 1.328(6) .
N24 C28 1.349(6) .
C1 C2 1.441(6) .
C2 C4 1.366(6) .
C3 H3 0.9300 .
C4 C5 1.446(6) .
C6 H6 0.9300 .
C6 C7 1.363(7) .
C7 H7 0.9300 .
C7 C8 1.377(8) .
C8 C9 1.526(8) .
C8 C10 1.383(8) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10 0.9300 .
C10 C11 1.379(7) .
C11 C12 1.480(7) .
C12 C13 1.374(7) .
C13 H13 0.9300 .
C13 C14 1.388(8) .
C14 C15 1.493(8) .
C14 C16 1.379(8) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16 0.9300 .
C16 C17 1.389(8) .
C17 H17 0.9300 .
C18 C19 1.443(6) .
C19 C21 1.373(6) .
C20 H20 0.9300 .
C21 C22 1.442(6) .
C23 H23 0.9300 .
C23 C24 1.378(7) .
C24 H24 0.9300 .
C24 C25 1.387(8) .
C25 C26 1.509(7) .
C25 C27 1.370(7) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27 0.9300 .
C27 C28 1.380(7) .
C28 C29 1.480(7) .
C29 C30 1.383(6) .
C30 H30 0.9300 .
C30 C31 1.379(7) .
C31 C32 1.503(7) .
C31 C33 1.365(8) .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 H33 0.9300 .
C33 C34 1.360(7) .
C34 H34 0.9300 .
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
Zn1 N4 C1 N1 -179.3(3) 3_776 .
Zn1 N4 C1 C2 -0.5(5) 3_776 .
Zn1 N5 C2 C1 -12.3(5) 3_776 .
Zn1 N5 C2 C4 165.9(3) 3_776 .
Zn1 N5 C3 N6 -159.4(4) 3_776 .
Zn1 N18 C19 C18 5.1(5) . .
Zn1 N18 C19 C21 -178.6(3) . .
Zn1 N18 C20 N17 178.8(4) . .
Zn1 N22 C18 N19 162.0(3) . .
Zn1 N22 C18 C19 -18.7(5) . .
Zn1 N23 C29 C28 2.0(5) . .
Zn1 N23 C29 C30 -176.9(4) . .
Zn1 N23 C34 C33 176.6(4) . .
Zn1 N24 C23 C24 -168.1(4) . .
Zn1 N24 C28 C27 169.2(4) . .
Zn1 N24 C28 C29 -9.6(5) . .
Zn2 N1 N2 N3 179.5(3) 2_746 .
Zn2 N1 C1 N4 -179.7(3) 2_746 .
Zn2 N1 C1 C2 1.6(7) 2_746 .
Zn2 N7 N8 N9 -175.4(3) 2_746 .
Zn2 N7 C5 N10 174.4(3) 2_746 .
Zn2 N7 C5 C4 -6.5(8) 2_746 .
Zn2 N16 C22 N13 -176.6(3) . .
Zn2 N16 C22 C21 5.0(8) . .
Zn2 N19 N20 N21 -176.2(3) . .
Zn2 N19 C18 N22 175.5(3) . .
Zn2 N19 C18 C19 -3.7(8) . .
Zn3 N6 C3 N5 169.4(3) . .
Zn3 N6 C4 C2 -171.6(3) . .
Zn3 N6 C4 C5 3.7(5) . .
Zn3 N10 C5 N7 -176.3(3) . .
Zn3 N10 C5 C4 4.5(5) . .
Zn3 N11 C6 C7 -164.2(4) . .
Zn3 N11 C11 C10 166.8(4) . .
Zn3 N11 C11 C12 -13.9(5) . .
Zn3 N12 C12 C11 11.7(5) . .
Zn3 N12 C12 C13 -168.8(4) . .
Zn3 N12 C17 C16 169.7(4) . .
Zn3 N13 N14 N15 175.8(4) . .
Zn3 N13 C22 N16 -177.7(3) . .
Zn3 N13 C22 C21 0.9(5) . .
Zn3 N17 C20 N18 170.3(3) . .
Zn3 N17 C21 C19 -172.3(3) . .
Zn3 N17 C21 C22 8.4(5) . .
N1 N2 N3 N4 0.4(6) . .
N1 C1 C2 N5 -172.7(4) . .
N1 C1 C2 C4 9.6(9) . .
N2 N1 C1 N4 0.0(5) . .
N2 N1 C1 C2 -178.7(5) . .
N2 N3 N4 Zn1 178.9(4) . 3_776
N2 N3 N4 C1 -0.4(5) . .
N3 N4 C1 N1 0.3(5) . .
N3 N4 C1 C2 179.1(4) . .
N4 C1 C2 N5 8.7(6) . .
N4 C1 C2 C4 -169.0(5) . .
N5 C2 C4 N6 -0.5(5) . .
N5 C2 C4 C5 -174.5(5) . .
N6 C4 C5 N7 175.2(5) . .
N6 C4 C5 N10 -5.7(6) . .
N7 N8 N9 N10 0.9(6) . .
N8 N7 C5 N10 0.1(5) . .
N8 N7 C5 C4 179.2(5) . .
N8 N9 N10 Zn3 173.8(4) . .
N8 N9 N10 C5 -0.8(6) . .
N9 N10 C5 N7 0.4(5) . .
N9 N10 C5 C4 -178.8(4) . .
N11 C6 C7 C8 -0.8(9) . .
N11 C11 C12 N12 1.9(6) . .
N11 C11 C12 C13 -177.6(5) . .
N12 C12 C13 C14 -1.9(8) . .
N13 N14 N15 N16 -0.8(6) . .
N14 N13 C22 N16 -1.0(5) . .
N14 N13 C22 C21 177.5(4) . .
N14 N15 N16 Zn2 177.7(3) . .
N14 N15 N16 C22 0.2(6) . .
N15 N16 C22 N13 0.5(5) . .
N15 N16 C22 C21 -177.9(5) . .
N17 C21 C22 N13 -6.1(7) . .
N17 C21 C22 N16 172.1(4) . .
N18 C19 C21 N17 -1.1(5) . .
N18 C19 C21 C22 178.1(5) . .
N19 N20 N21 N22 0.4(6) . .
N19 C18 C19 N18 -170.8(5) . .
N19 C18 C19 C21 14.4(9) . .
N20 N19 C18 N22 0.3(5) . .
N20 N19 C18 C19 -178.8(5) . .
N20 N21 N22 Zn1 -153.1(4) . .
N20 N21 N22 C18 -0.2(5) . .
N21 N22 C18 N19 -0.1(5) . .
N21 N22 C18 C19 179.2(4) . .
N22 C18 C19 N18 10.1(6) . .
N22 C18 C19 C21 -164.8(5) . .
N23 C29 C30 C31 -0.3(8) . .
N24 C23 C24 C25 -0.8(9) . .
N24 C28 C29 N23 4.9(6) . .
N24 C28 C29 C30 -176.3(4) . .
C1 N1 N2 N3 -0.3(5) . .
C1 C2 C4 N6 177.3(5) . .
C1 C2 C4 C5 3.2(10) . .
C2 N5 C3 N6 -0.2(5) . .
C2 C4 C5 N7 -11.1(9) . .
C2 C4 C5 N10 168.0(5) . .
C3 N5 C2 C1 -177.8(4) . .
C3 N5 C2 C4 0.4(5) . .
C3 N6 C4 C2 0.3(5) . .
C3 N6 C4 C5 175.7(4) . .
C4 N6 C3 N5 -0.1(6) . .
C5 N7 N8 N9 -0.6(6) . .
C6 N11 C11 C10 1.1(7) . .
C6 N11 C11 C12 -179.5(4) . .
C6 C7 C8 C9 -178.9(6) . .
C6 C7 C8 C10 1.5(9) . .
C7 C8 C10 C11 -1.1(9) . .
C8 C10 C11 N11 -0.3(8) . .
C8 C10 C11 C12 -179.6(5) . .
C9 C8 C10 C11 179.4(6) . .
C10 C11 C12 N12 -178.8(5) . .
C10 C11 C12 C13 1.7(8) . .
C11 N11 C6 C7 -0.6(8) . .
C11 C12 C13 C14 177.6(5) . .
C12 N12 C17 C16 -2.8(8) . .
C12 C13 C14 C15 176.5(5) . .
C12 C13 C14 C16 -2.2(9) . .
C13 C14 C16 C17 3.7(9) . .
C14 C16 C17 N12 -1.3(9) . .
C15 C14 C16 C17 -175.0(6) . .
C17 N12 C12 C11 -175.1(4) . .
C17 N12 C12 C13 4.4(7) . .
C18 N19 N20 N21 -0.4(6) . .
C18 C19 C21 N17 174.1(5) . .
C18 C19 C21 C22 -6.7(9) . .
C19 N18 C20 N17 -0.9(5) . .
C19 C21 C22 N13 174.7(5) . .
C19 C21 C22 N16 -7.0(9) . .
C20 N17 C21 C19 0.5(5) . .
C20 N17 C21 C22 -178.9(4) . .
C20 N18 C19 C18 -175.1(4) . .
C20 N18 C19 C21 1.1(5) . .
C21 N17 C20 N18 0.2(5) . .
C22 N13 N14 N15 1.1(6) . .
C23 N24 C28 C27 -0.7(7) . .
C23 N24 C28 C29 -179.5(4) . .
C23 C24 C25 C26 -179.5(6) . .
C23 C24 C25 C27 0.5(9) . .
C24 C25 C27 C28 -0.4(9) . .
C25 C27 C28 N24 0.5(8) . .
C25 C27 C28 C29 179.2(5) . .
C26 C25 C27 C28 179.6(5) . .
C27 C28 C29 N23 -173.9(4) . .
C27 C28 C29 C30 4.9(8) . .
C28 N24 C23 C24 0.8(8) . .
C28 C29 C30 C31 -179.0(5) . .
C29 N23 C34 C33 -0.6(8) . .
C29 C30 C31 C32 -179.1(5) . .
C29 C30 C31 C33 -0.2(8) . .
C30 C31 C33 C34 0.3(9) . .
C31 C33 C34 N23 0.1(10) . .
C32 C31 C33 C34 179.2(6) . .
C34 N23 C29 C28 179.5(4) . .
C34 N23 C29 C30 0.7(7) . .
