#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:29:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180476 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/45/7214519.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_7214519
loop_
_publ_author_name
'Huang, Shu-Yun'
'Li, Jian-Qiang'
'Liu, Shu-Juan'
'Ning, Yang'
'Meng, Li-Na'
'Li, Jin-Yuan'
'Luo, Ming-Biao'
'Luo, Feng'
_publ_section_title
;
 Construction and modulation of structural diversity in acylamide-MOFs
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              5608
_journal_paper_doi               10.1039/c4ce00490f
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C38 H24 N6 O14 Zn'
_chemical_formula_weight         854.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.283(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.0919(5)
_cell_length_b                   14.1967(5)
_cell_length_c                   18.1636(6)
_cell_measurement_reflns_used    4881
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.85
_cell_measurement_theta_min      2.42
_cell_volume                     3601.0(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27277
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    0.765
_exptl_absorpt_correction_T_max  0.8621
_exptl_absorpt_correction_T_min  0.8318
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.438
_refine_diff_density_min         -0.349
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         6330
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0473P)²+1.6582P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0971
_refine_ls_wR_factor_ref         0.1073
_reflns_number_gt                4637
_reflns_number_total             6330
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00490f2.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7214516--7214522.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7214519
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.0843(2) 0.8069(2) -0.04824(16) 0.0351(7) Uani 1 1 d .
H1 H 0.1391 0.8292 -0.0542 0.042 Uiso 1 1 calc R
C2 C 0.07961(19) 0.7149(2) -0.02469(16) 0.0353(7) Uani 1 1 d .
C3 C 0.5400(2) 0.4953(2) 0.27977(17) 0.0393(8) Uani 1 1 d .
H3 H 0.4985 0.4892 0.3065 0.047 Uiso 1 1 calc R
C4 C -0.0799(2) 0.7445(2) -0.02808(16) 0.0354(7) Uani 1 1 d .
C5 C 0.7012(2) 0.5130(2) 0.28454(17) 0.0408(8) Uani 1 1 d .
H5 H 0.7664 0.5191 0.3144 0.049 Uiso 1 1 calc R
C6 C 0.3993(2) 0.4803(2) 0.15128(18) 0.0407(7) Uani 1 1 d .
C7 C -0.1700(2) 0.7097(3) -0.01921(18) 0.0427(8) Uani 1 1 d .
C8 C 0.0063(2) 0.8645(2) -0.06260(16) 0.0345(7) Uani 1 1 d .
C9 C 0.1641(2) 0.6502(3) -0.01130(17) 0.0416(8) Uani 1 1 d .
C10 C -0.0753(2) 0.8356(2) -0.05233(16) 0.0381(7) Uani 1 1 d .
H10 H -0.1264 0.8768 -0.0616 0.046 Uiso 1 1 calc R
C11 C 0.6670(2) 0.5092(2) 0.20237(17) 0.0375(7) Uani 1 1 d .
C12 C -0.00256(19) 0.6838(2) -0.01477(16) 0.0361(7) Uani 1 1 d .
H12 H -0.0060 0.6220 0.0009 0.043 Uiso 1 1 calc R
C13 C 0.5694(2) 0.5002(2) 0.15937(17) 0.0373(7) Uani 1 1 d .
H13 H 0.5462 0.4998 0.1041 0.045 Uiso 1 1 calc R
C14 C 0.5058(2) 0.4919(2) 0.19772(17) 0.0352(7) Uani 1 1 d .
C15 C 0.7364(2) 0.5114(2) 0.16029(19) 0.0418(8) Uani 1 1 d .
C16 C 1.0289(2) 0.3700(3) 0.22488(16) 0.0413(8) Uani 1 1 d .
C17 C 1.0294(2) 0.4602(2) 0.19556(19) 0.0461(8) Uani 1 1 d .
H17 H 0.9789 0.5011 0.1888 0.055 Uiso 1 1 calc R
C18 C 0.6627(2) 0.2447(2) 0.29586(18) 0.0414(8) Uani 1 1 d .
C19 C 0.7391(2) 0.2924(2) 0.34827(19) 0.0470(8) Uani 1 1 d .
H19 H 0.7334 0.3210 0.3923 0.056 Uiso 1 1 calc R
C20 C 0.4662(3) 0.2027(3) 0.5276(2) 0.0624(10) Uani 1 1 d .
H20 H 0.4803 0.1776 0.5781 0.075 Uiso 1 1 calc R
C21 C 0.5120(2) 0.2345(2) 0.4182(2) 0.0476(8) Uani 1 1 d .
C22 C 1.1046(3) 0.4882(3) 0.1767(2) 0.0564(10) Uani 1 1 d .
H22 H 1.1049 0.5484 0.1565 0.068 Uiso 1 1 calc R
C23 C 0.5324(3) 0.1970(3) 0.4931(2) 0.0584(10) Uani 1 1 d .
H23 H 0.5911 0.1680 0.5200 0.070 Uiso 1 1 calc R
C24 C 0.5703(2) 0.2450(2) 0.3080(2) 0.0483(8) Uani 1 1 d .
C25 C 1.1062(2) 0.3104(3) 0.23477(19) 0.0531(9) Uani 1 1 d .
H25 H 1.1080 0.2496 0.2543 0.064 Uiso 1 1 calc R
C26 C 0.7628(2) 0.1966(2) 0.22344(17) 0.0453(8) Uani 1 1 d .
C27 C 0.5968(2) 0.1469(3) 0.17216(19) 0.0552(9) Uani 1 1 d .
H27 H 0.5359 0.1491 0.1734 0.066 Uiso 1 1 calc R
C28 C 0.3618(3) 0.2821(4) 0.4190(3) 0.0830(14) Uani 1 1 d .
H28 H 0.3031 0.3120 0.3942 0.100 Uiso 1 1 calc R
C29 C 0.6721(2) 0.1968(2) 0.22960(17) 0.0420(8) Uani 1 1 d .
C30 C 0.8381(2) 0.2526(2) 0.27707(18) 0.0445(8) Uani 1 1 d .
C31 C 0.8257(2) 0.2993(2) 0.3373(2) 0.0489(8) Uani 1 1 d .
H31 H 0.8750 0.3362 0.3717 0.059 Uiso 1 1 calc R
C32 C 0.9325(2) 0.2579(3) 0.2672(2) 0.0508(9) Uani 1 1 d .
C33 C 1.1793(2) 0.3439(3) 0.2149(2) 0.0578(10) Uani 1 1 d .
H33 H 1.2314 0.3051 0.2212 0.069 Uiso 1 1 calc R
C34 C 0.7763(3) 0.1395(3) 0.1652(2) 0.0630(11) Uani 1 1 d .
H34 H 0.8367 0.1357 0.1629 0.076 Uiso 1 1 calc R
C35 C 0.6119(3) 0.0953(3) 0.1149(2) 0.0731(12) Uani 1 1 d .
H35 H 0.5611 0.0634 0.0771 0.088 Uiso 1 1 calc R
C36 C 0.4244(3) 0.2791(3) 0.3812(2) 0.0785(13) Uani 1 1 d .
H36 H 0.4086 0.3065 0.3313 0.094 Uiso 1 1 calc R
C37 C 0.7027(3) 0.0901(3) 0.1125(2) 0.0799(13) Uani 1 1 d .
H37 H 0.7130 0.0525 0.0745 0.096 Uiso 1 1 calc R
C38 C 0.6364(2) 0.5077(2) 0.32115(16) 0.0410(8) Uani 1 1 d .
H1M H 0.904(2) 0.387(2) 0.2312(18) 0.052(10) Uiso 1 1 d .
H2M H 0.631(3) 0.212(3) 0.417(2) 0.064(13) Uiso 1 1 d .
H3M H 0.333(4) 0.246(4) 0.515(3) 0.133(19) Uiso 1 1 d .
H4M H 1.226(3) 0.451(3) 0.175(2) 0.074(12) Uiso 1 1 d .
N1 N 0.95038(19) 0.3439(2) 0.24204(15) 0.0427(7) Uani 1 1 d .
N2 N 0.5812(2) 0.2298(2) 0.38600(19) 0.0505(8) Uani 1 1 d .
N3 N 0.3820(2) 0.2437(2) 0.4897(2) 0.0633(9) Uani 1 1 d .
N4 N 1.1777(2) 0.4301(3) 0.18692(17) 0.0557(9) Uani 1 1 d .
N5 N 0.01050(19) 0.9609(2) -0.09016(14) 0.0429(7) Uani 1 1 d .
N6 N 0.6719(2) 0.5140(2) 0.40884(15) 0.0546(8) Uani 1 1 d .
O1 O 0.34673(16) 0.4738(2) 0.18846(15) 0.0751(9) Uani 1 1 d .
O2 O 0.37339(15) 0.47851(18) 0.07713(13) 0.0558(6) Uani 1 1 d .
O3 O 0.69780(15) 0.52603(19) 0.08656(13) 0.0588(7) Uani 1 1 d .
O4 O 0.82189(16) 0.4997(2) 0.19861(14) 0.0643(7) Uani 1 1 d .
O5 O 0.75614(17) 0.50246(19) 0.44652(13) 0.0637(7) Uani 1 1 d .
O6 O 0.6147(2) 0.5301(3) 0.43901(15) 0.1074(13) Uani 1 1 d .
O7 O -0.24122(17) 0.7616(2) -0.04295(18) 0.0743(8) Uani 1 1 d .
O8 O -0.16548(16) 0.63020(19) 0.01013(16) 0.0663(7) Uani 1 1 d .
O9 O 0.14992(15) 0.56396(18) -0.00215(15) 0.0561(6) Uani 1 1 d .
O10 O 0.23984(15) 0.68356(18) -0.01049(14) 0.0571(6) Uani 1 1 d .
O11 O 0.9862(2) 0.1910(2) 0.2800(2) 0.0934(10) Uani 1 1 d .
O12 O 0.49300(16) 0.2587(2) 0.25545(14) 0.0672(7) Uani 1 1 d .
O13 O 0.07782(19) 0.98413(18) -0.10773(16) 0.0662(7) Uani 1 1 d .
O14 O -0.05435(18) 1.01490(18) -0.09429(16) 0.0658(7) Uani 1 1 d .
Zn1 Zn 0.24643(2) 0.47690(3) -0.007343(19) 0.03637(12) 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'
O O 0.0106 0.0060 '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
C8 C1 C2 118.7(3) . .
C8 C1 H1 120.7 . .
C2 C1 H1 120.7 . .
C1 C2 C12 119.5(3) . .
C1 C2 C9 118.9(3) . .
C12 C2 C9 121.7(3) . .
C38 C3 C14 118.7(3) . .
C38 C3 H3 120.7 . .
C14 C3 H3 120.7 . .
C10 C4 C12 119.7(3) . .
C10 C4 C7 119.8(3) . .
C12 C4 C7 120.5(3) . .
C38 C5 C11 118.4(3) . .
C38 C5 H5 120.8 . .
C11 C5 H5 120.8 . .
O1 C6 O2 126.0(3) . .
O1 C6 C14 118.3(3) . .
O2 C6 C14 115.8(3) . .
O7 C7 O8 126.3(3) . .
O7 C7 C4 117.8(3) . .
O8 C7 C4 116.0(3) . .
C1 C8 C10 122.8(3) . .
C1 C8 N5 118.4(3) . .
C10 C8 N5 118.8(3) . .
O10 C9 O9 124.9(3) . .
O10 C9 C2 119.3(3) . .
O9 C9 C2 115.7(3) . .
C8 C10 C4 118.6(3) . .
C8 C10 H10 120.7 . .
C4 C10 H10 120.7 . .
C5 C11 C13 119.6(3) . .
C5 C11 C15 119.8(3) . .
C13 C11 C15 120.6(3) . .
C2 C12 C4 120.7(3) . .
C2 C12 H12 119.7 . .
C4 C12 H12 119.7 . .
C11 C13 C14 120.9(3) . .
C11 C13 H13 119.5 . .
C14 C13 H13 119.5 . .
C3 C14 C13 119.5(3) . .
C3 C14 C6 119.2(3) . .
C13 C14 C6 121.3(3) . .
O4 C15 O3 126.2(3) . .
O4 C15 C11 119.5(3) . .
O3 C15 C11 114.3(3) . .
N1 C16 C17 117.6(3) . .
N1 C16 C25 123.6(3) . .
C17 C16 C25 118.8(3) . .
C22 C17 C16 119.5(3) . .
C22 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C19 C18 C29 119.6(3) . .
C19 C18 C24 119.0(3) . .
C29 C18 C24 121.4(3) . .
C18 C19 C31 121.6(3) . .
C18 C19 H19 119.2 . .
C31 C19 H19 119.2 . .
N3 C20 C23 120.6(4) . .
N3 C20 H20 119.7 . .
C23 C20 H20 119.7 . .
N2 C21 C23 118.5(3) . .
N2 C21 C36 123.5(3) . .
C23 C21 C36 118.0(3) . .
N4 C22 C17 120.5(4) . .
N4 C22 H22 119.8 . .
C17 C22 H22 119.8 . .
C20 C23 C21 119.9(3) . .
C20 C23 H23 120.0 . .
C21 C23 H23 120.0 . .
O12 C24 N2 122.6(3) . .
O12 C24 C18 124.0(3) . .
N2 C24 C18 113.3(3) . .
C33 C25 C16 118.2(4) . .
C33 C25 H25 120.9 . .
C16 C25 H25 120.9 . .
C34 C26 C29 118.8(3) . .
C34 C26 C30 122.0(3) . .
C29 C26 C30 119.2(3) . .
C35 C27 C29 121.1(3) . .
C35 C27 H27 119.5 . .
C29 C27 H27 119.5 . .
N3 C28 C36 121.9(4) . .
N3 C28 H28 119.0 . .
C36 C28 H28 119.0 . .
C27 C29 C26 118.2(3) . .
C27 C29 C18 123.4(3) . .
C26 C29 C18 118.3(3) . .
C31 C30 C26 120.5(3) . .
C31 C30 C32 120.0(3) . .
C26 C30 C32 119.5(3) . .
C30 C31 C19 120.2(3) . .
C30 C31 H31 119.9 . .
C19 C31 H31 119.9 . .
O11 C32 N1 124.2(3) . .
O11 C32 C30 122.2(3) . .
N1 C32 C30 113.6(3) . .
N4 C33 C25 121.5(4) . .
N4 C33 H33 119.2 . .
C25 C33 H33 119.2 . .
C37 C34 C26 121.0(3) . .
C37 C34 H34 119.5 . .
C26 C34 H34 119.5 . .
C27 C35 C37 120.4(4) . .
C27 C35 H35 119.8 . .
C37 C35 H35 119.8 . .
C28 C36 C21 119.0(4) . .
C28 C36 H36 120.5 . .
C21 C36 H36 120.5 . .
C34 C37 C35 120.3(4) . .
C34 C37 H37 119.9 . .
C35 C37 H37 119.9 . .
C3 C38 C5 122.8(3) . .
C3 C38 N6 118.3(3) . .
C5 C38 N6 118.9(3) . .
C32 N1 C16 127.5(3) . .
C32 N1 H1M 117(2) . .
C16 N1 H1M 116(2) . .
C21 N2 C24 127.8(3) . .
C21 N2 H2M 112(3) . .
C24 N2 H2M 119(3) . .
C28 N3 C20 120.5(3) . .
C28 N3 H3M 119(3) . .
C20 N3 H3M 120(3) . .
C33 N4 C22 121.4(3) . .
C33 N4 H4M 120(3) . .
C22 N4 H4M 118(3) . .
O13 N5 O14 122.7(3) . .
O13 N5 C8 119.3(3) . .
O14 N5 C8 117.9(3) . .
O5 N6 O6 123.4(3) . .
O5 N6 C38 118.5(3) . .
O6 N6 C38 118.1(3) . .
C6 O2 Zn1 131.3(2) . .
C15 O3 Zn1 129.4(2) . 3_665
C7 O8 Zn1 140.5(2) . 3_565
C9 O9 Zn1 116.3(2) . .
O3 Zn1 O8 114.43(12) 3_665 3_565
O3 Zn1 O9 126.87(10) 3_665 .
O8 Zn1 O9 91.36(11) 3_565 .
O3 Zn1 O2 90.61(9) 3_665 .
O8 Zn1 O2 116.83(11) 3_565 .
O9 Zn1 O2 119.11(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C8 1.376(4) .
C1 C2 1.385(4) .
C1 H1 0.9300 .
C2 C12 1.391(4) .
C2 C9 1.514(4) .
C3 C38 1.372(4) .
C3 C14 1.381(4) .
C3 H3 0.9300 .
C4 C10 1.377(4) .
C4 C12 1.396(4) .
C4 C7 1.512(4) .
C5 C38 1.378(4) .
C5 C11 1.383(4) .
C5 H5 0.9300 .
C6 O1 1.225(3) .
C6 O2 1.252(4) .
C6 C14 1.514(4) .
C7 O7 1.238(4) .
C7 O8 1.239(4) .
C8 C10 1.376(4) .
C8 N5 1.466(4) .
C9 O10 1.233(4) .
C9 O9 1.265(4) .
C10 H10 0.9300 .
C11 C13 1.387(4) .
C11 C15 1.513(4) .
C12 H12 0.9300 .
C13 C14 1.388(4) .
C13 H13 0.9300 .
C15 O4 1.223(4) .
C15 O3 1.259(4) .
C16 N1 1.385(4) .
C16 C17 1.387(5) .
C16 C25 1.396(4) .
C17 C22 1.363(4) .
C17 H17 0.9300 .
C18 C19 1.364(4) .
C18 C29 1.435(4) .
C18 C24 1.493(4) .
C19 C31 1.399(4) .
C19 H19 0.9300 .
C20 N3 1.327(5) .
C20 C23 1.369(5) .
C20 H20 0.9300 .
C21 N2 1.380(4) .
C21 C23 1.380(5) .
C21 C36 1.389(5) .
C22 N4 1.333(5) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 O12 1.210(4) .
C24 N2 1.380(4) .
C25 C33 1.370(5) .
C25 H25 0.9300 .
C26 C34 1.406(5) .
C26 C29 1.415(4) .
C26 C30 1.425(4) .
C27 C35 1.360(5) .
C27 C29 1.408(4) .
C27 H27 0.9300 .
C28 N3 1.320(5) .
C28 C36 1.362(5) .
C28 H28 0.9300 .
C30 C31 1.352(4) .
C30 C32 1.504(4) .
C31 H31 0.9300 .
C32 O11 1.212(4) .
C32 N1 1.366(4) .
C33 N4 1.321(5) .
C33 H33 0.9300 .
C34 C37 1.356(5) .
C34 H34 0.9300 .
C35 C37 1.389(5) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 N6 1.478(4) .
N1 H1M 0.90(3) .
N2 H2M 0.79(4) .
N3 H3M 1.02(5) .
N4 H4M 0.89(4) .
N5 O13 1.220(3) .
N5 O14 1.223(3) .
N6 O5 1.205(3) .
N6 O6 1.207(4) .
O2 Zn1 1.948(2) .
O3 Zn1 1.923(2) 3_665
O8 Zn1 1.939(2) 3_565
O9 Zn1 1.940(2) .
Zn1 O3 1.923(2) 3_665
Zn1 O8 1.939(2) 3_565
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_4
C8 C1 C2 C12 -1.2(4) .
C8 C1 C2 C9 178.1(2) .
C10 C4 C7 O7 8.1(4) .
C12 C4 C7 O7 -169.5(3) .
C10 C4 C7 O8 -173.3(3) .
C12 C4 C7 O8 9.2(4) .
C2 C1 C8 C10 1.9(4) .
C2 C1 C8 N5 -177.9(2) .
C1 C2 C9 O10 10.2(4) .
C12 C2 C9 O10 -170.5(3) .
C1 C2 C9 O9 -169.4(3) .
C12 C2 C9 O9 9.9(4) .
C1 C8 C10 C4 -1.2(4) .
N5 C8 C10 C4 178.6(2) .
C12 C4 C10 C8 -0.2(4) .
C7 C4 C10 C8 -177.8(3) .
C38 C5 C11 C13 0.1(5) .
C38 C5 C11 C15 -177.8(3) .
C1 C2 C12 C4 -0.2(4) .
C9 C2 C12 C4 -179.5(3) .
C10 C4 C12 C2 0.9(4) .
C7 C4 C12 C2 178.5(3) .
C5 C11 C13 C14 -2.2(5) .
C15 C11 C13 C14 175.8(3) .
C38 C3 C14 C13 0.6(5) .
C38 C3 C14 C6 -178.8(3) .
C11 C13 C14 C3 1.8(5) .
C11 C13 C14 C6 -178.8(3) .
O1 C6 C14 C3 -0.2(5) .
O2 C6 C14 C3 179.5(3) .
O1 C6 C14 C13 -179.7(3) .
O2 C6 C14 C13 0.1(5) .
C5 C11 C15 O4 13.0(5) .
C13 C11 C15 O4 -164.9(3) .
C5 C11 C15 O3 -166.8(3) .
C13 C11 C15 O3 15.3(5) .
N1 C16 C17 C22 -179.0(3) .
C25 C16 C17 C22 0.4(5) .
C29 C18 C19 C31 2.7(5) .
C24 C18 C19 C31 -176.1(3) .
C16 C17 C22 N4 -0.6(5) .
N3 C20 C23 C21 0.2(6) .
N2 C21 C23 C20 178.3(3) .
C36 C21 C23 C20 1.5(6) .
C19 C18 C24 O12 134.3(4) .
C29 C18 C24 O12 -44.6(5) .
C19 C18 C24 N2 -44.6(4) .
C29 C18 C24 N2 136.5(3) .
N1 C16 C25 C33 179.3(3) .
C17 C16 C25 C33 -0.1(5) .
C35 C27 C29 C26 3.6(5) .
C35 C27 C29 C18 -173.7(4) .
C34 C26 C29 C27 -6.0(5) .
C30 C26 C29 C27 175.1(3) .
C34 C26 C29 C18 171.5(3) .
C30 C26 C29 C18 -7.4(5) .
C19 C18 C29 C27 -179.3(3) .
C24 C18 C29 C27 -0.4(5) .
C19 C18 C29 C26 3.4(5) .
C24 C18 C29 C26 -177.7(3) .
C34 C26 C30 C31 -173.4(3) .
C29 C26 C30 C31 5.5(5) .
C34 C26 C30 C32 5.4(5) .
C29 C26 C30 C32 -175.8(3) .
C26 C30 C31 C19 0.7(5) .
C32 C30 C31 C19 -178.1(3) .
C18 C19 C31 C30 -4.9(5) .
C31 C30 C32 O11 110.0(4) .
C26 C30 C32 O11 -68.8(5) .
C31 C30 C32 N1 -70.6(4) .
C26 C30 C32 N1 110.6(4) .
C16 C25 C33 N4 -0.1(5) .
C29 C26 C34 C37 4.1(6) .
C30 C26 C34 C37 -177.0(4) .
C29 C27 C35 C37 0.8(6) .
N3 C28 C36 C21 -0.1(7) .
N2 C21 C36 C28 -178.2(4) .
C23 C21 C36 C28 -1.6(6) .
C26 C34 C37 C35 0.3(7) .
C27 C35 C37 C34 -2.8(7) .
C14 C3 C38 C5 -2.8(5) .
C14 C3 C38 N6 178.2(3) .
C11 C5 C38 C3 2.4(5) .
C11 C5 C38 N6 -178.6(3) .
O11 C32 N1 C16 1.8(6) .
C30 C32 N1 C16 -177.6(3) .
C17 C16 N1 C32 176.2(3) .
C25 C16 N1 C32 -3.1(5) .
C23 C21 N2 C24 166.0(4) .
C36 C21 N2 C24 -17.3(6) .
O12 C24 N2 C21 -5.5(6) .
C18 C24 N2 C21 173.5(3) .
C36 C28 N3 C20 1.9(7) .
C23 C20 N3 C28 -2.0(6) .
C25 C33 N4 C22 -0.1(5) .
C17 C22 N4 C33 0.5(5) .
C1 C8 N5 O13 7.8(4) .
C10 C8 N5 O13 -172.1(3) .
C1 C8 N5 O14 -172.0(3) .
C10 C8 N5 O14 8.1(4) .
C3 C38 N6 O5 162.7(3) .
C5 C38 N6 O5 -16.4(5) .
C3 C38 N6 O6 -17.0(5) .
C5 C38 N6 O6 163.9(4) .
O1 C6 O2 Zn1 6.3(6) .
C14 C6 O2 Zn1 -173.5(2) .
O4 C15 O3 Zn1 6.8(6) 3_665
C11 C15 O3 Zn1 -173.4(2) 3_665
O7 C7 O8 Zn1 27.8(6) 3_565
C4 C7 O8 Zn1 -150.7(3) 3_565
O10 C9 O9 Zn1 -12.1(4) .
C2 C9 O9 Zn1 167.46(19) .
C9 O9 Zn1 O3 -47.2(3) 3_665
C9 O9 Zn1 O8 -169.6(2) 3_565
C9 O9 Zn1 O2 68.4(2) .
C6 O2 Zn1 O3 -179.7(3) 3_665
C6 O2 Zn1 O8 -61.7(3) 3_565
C6 O2 Zn1 O9 46.5(3) .
