#------------------------------------------------------------------------------
#$Date: 2019-11-24 05:14:09 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236807 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/70/7237076.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_7237076
loop_
_publ_author_name
'Yao, Shu-Li'
'Zheng, Teng-Fei'
'Tian, Xue-Mei'
'Liu, Sui-Jun'
'Cao, Chen'
'Zhu, Ze-Hao'
'Chen, Yong-Qiang'
'Chen, Jing-Lin'
'Wen, He-Rui'
_publ_section_title
;
 Dicarboxylate-induced structural diversity of luminescent ZnII/CdII
 coordination polymers derived from V-shaped bis-benzimidazole
;
_journal_issue                   38
_journal_name_full               CrystEngComm
_journal_page_first              5822
_journal_paper_doi               10.1039/C8CE01261J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C34 H22 N4 O5 Zn'
_chemical_formula_sum            'C34 H22 N4 O5 Zn'
_chemical_formula_weight         631.95
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2018-06-03
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-06-03 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                101.248(3)
_cell_angle_beta                 108.513(3)
_cell_angle_gamma                103.284(3)
_cell_formula_units_Z            2
_cell_length_a                   10.4474(13)
_cell_length_b                   12.4603(16)
_cell_length_c                   13.9284(18)
_cell_measurement_reflns_used    5011
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      23.81
_cell_measurement_theta_min      2.91
_cell_volume                     1601.2(4)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      300.15
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0962
_diffrn_reflns_av_unetI/netI     0.1162
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23076
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.909
_exptl_absorpt_coefficient_mu    0.813
_exptl_absorpt_correction_T_max  0.8351
_exptl_absorpt_correction_T_min  0.7697
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.23
_platon_squeeze_details
;

;
_refine_diff_density_max         0.706
_refine_diff_density_min         -0.782
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         5633
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.1264
_refine_ls_R_factor_gt           0.0780
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0747P)²+4.5539P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1843
_refine_ls_wR_factor_ref         0.1997
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3687
_reflns_number_total             5633
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce01261j2.cif
_cod_data_source_block           2
_cod_database_code               7237076
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.835
_shelx_estimated_absorpt_t_min   0.770
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C27(H27), C15(H15), C28(H28), C3(H3), C18(H18), C30(H30), C17(H17), C31(H31),
 C13(H13), C10(H10), C12(H12), C23(H23), C9(H9), C24(H24), C25(H25), C7(H7),
 C20(H20), C32(H32), C33(H33), C4(H4), C6(H6), C19(H19)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
C26 C -0.2674(7) 0.8727(5) 0.5278(5) 0.0295(16) Uani 1 1 d .
C27 C -0.1640(7) 0.8178(5) 0.5521(5) 0.0279(15) Uani 1 1 d .
H27 H -0.190617 0.738081 0.537668 0.033 Uiso 1 1 calc R
Zn1 Zn 0.24860(8) 0.57278(6) 0.50543(6) 0.0249(3) Uani 1 1 d .
O1 O 0.0681(5) 0.5169(4) 0.3824(4) 0.0424(13) Uani 1 1 d .
C14 C -0.6159(9) 0.4861(7) -0.3566(6) 0.044(2) Uani 1 1 d .
N1 N 0.2007(5) 0.7043(4) 0.5900(4) 0.0272(13) Uani 1 1 d .
O3 O -0.4507(6) 0.2588(4) -0.0482(4) 0.0553(15) Uani 1 1 d .
O4 O -0.7445(6) 0.4516(4) -0.4186(4) 0.0496(14) Uani 1 1 d .
N4 N 0.3896(6) 0.6753(5) 0.4616(4) 0.0315(14) Uani 1 1 d .
C2 C -0.0729(7) 0.3870(6) 0.2149(5) 0.0341(17) Uani 1 1 d .
N2 N 0.0839(5) 0.8267(4) 0.6193(4) 0.0308(13) Uani 1 1 d .
C15 C 0.0828(6) 0.7293(5) 0.5570(5) 0.0288(16) Uani 1 1 d .
H15 H 0.005097 0.683833 0.495897 0.035 Uiso 1 1 calc R
C16 C 0.2876(6) 0.7917(5) 0.6820(5) 0.0268(15) Uani 1 1 d .
N3 N 0.5875(6) 0.8065(5) 0.4823(4) 0.0308(13) Uani 1 1 d .
C29 C 0.3553(7) 0.7353(6) 0.3880(5) 0.0292(16) Uani 1 1 d .
C28 C 0.5279(6) 0.7191(6) 0.5142(5) 0.0298(16) Uani 1 1 d .
H28 H 0.578952 0.692770 0.567432 0.036 Uiso 1 1 calc R
C1 C 0.0587(8) 0.4281(6) 0.3128(5) 0.0362(17) Uani 1 1 d .
C3 C -0.1723(8) 0.4435(6) 0.2017(6) 0.0426(19) Uani 1 1 d .
H3 H -0.155800 0.510070 0.253803 0.051 Uiso 1 1 calc R
C34 C 0.4801(7) 0.8195(6) 0.4011(5) 0.0314(16) Uani 1 1 d .
C18 C 0.4836(8) 0.9007(6) 0.8390(6) 0.046(2) Uani 1 1 d .
H18 H 0.575970 0.915014 0.885998 0.056 Uiso 1 1 calc R
O5 O -0.5305(7) 0.5723(5) -0.3560(5) 0.0672(17) Uani 1 1 d .
C11 C -0.5707(7) 0.4229(6) -0.2774(5) 0.0329(17) Uani 1 1 d .
O2 O 0.1502(6) 0.3804(5) 0.3243(4) 0.0651(17) Uani 1 1 d .
C8 C -0.4854(8) 0.3181(6) -0.1220(5) 0.0369(18) Uani 1 1 d .
C21 C 0.2168(7) 0.8689(5) 0.7031(5) 0.0288(15) Uani 1 1 d .
C30 C 0.2246(8) 0.7230(6) 0.3098(6) 0.0396(18) Uani 1 1 d .
H30 H 0.140854 0.668960 0.301256 0.048 Uiso 1 1 calc R
C22 C -0.0227(7) 0.8823(6) 0.5975(5) 0.0287(15) Uani 1 1 d .
C17 C 0.4249(7) 0.8055(6) 0.7515(6) 0.0403(18) Uani 1 1 d .
H17 H 0.473292 0.753639 0.739272 0.048 Uiso 1 1 calc R
C5 C -0.3211(8) 0.3068(6) 0.0376(5) 0.0415(19) Uani 1 1 d .
C31 C 0.2267(8) 0.7945(7) 0.2467(6) 0.047(2) Uani 1 1 d .
H31 H 0.142415 0.786641 0.192441 0.057 Uiso 1 1 calc R
C13 C -0.3867(8) 0.3997(7) -0.1364(6) 0.0444(19) Uani 1 1 d .
H13 H -0.290756 0.419871 -0.094267 0.053 Uiso 1 1 calc R
C10 C -0.6680(8) 0.3364(6) -0.2644(6) 0.0411(19) Uani 1 1 d .
H10 H -0.763168 0.313294 -0.309251 0.049 Uiso 1 1 calc R
C12 C -0.4309(8) 0.4515(7) -0.2138(6) 0.0433(19) Uani 1 1 d .
H12 H -0.363710 0.507439 -0.223243 0.052 Uiso 1 1 calc R
C23 C 0.0178(8) 1.0022(6) 0.6215(6) 0.0393(18) Uani 1 1 d .
H23 H 0.113477 1.045784 0.652915 0.047 Uiso 1 1 calc R
C9 C -0.6273(8) 0.2842(6) -0.1871(6) 0.0439(19) Uani 1 1 d .
H9 H -0.693880 0.226940 -0.178618 0.053 Uiso 1 1 calc R
C24 C -0.0849(8) 1.0551(6) 0.5983(6) 0.0407(19) Uani 1 1 d .
H24 H -0.058587 1.134947 0.613844 0.049 Uiso 1 1 calc R
C25 C -0.2271(8) 0.9909(6) 0.5520(6) 0.0412(19) Uani 1 1 d .
H25 H -0.295857 1.027737 0.537060 0.049 Uiso 1 1 calc R
C7 C -0.1011(9) 0.2882(7) 0.1384(6) 0.053(2) Uani 1 1 d .
H7 H -0.035751 0.247717 0.146310 0.064 Uiso 1 1 calc R
C20 C 0.2755(8) 0.9618(6) 0.7934(5) 0.0401(18) Uani 1 1 d .
H20 H 0.225869 1.011861 0.808033 0.048 Uiso 1 1 calc R
C32 C 0.3510(9) 0.8791(7) 0.2608(6) 0.051(2) Uani 1 1 d .
H32 H 0.345837 0.927058 0.217195 0.061 Uiso 1 1 calc R
C33 C 0.4799(8) 0.8933(6) 0.3368(6) 0.0429(19) Uani 1 1 d .
H33 H 0.562466 0.948750 0.345303 0.051 Uiso 1 1 calc R
C4 C -0.2973(8) 0.4036(7) 0.1122(6) 0.052(2) Uani 1 1 d .
H4 H -0.363349 0.443425 0.104037 0.062 Uiso 1 1 calc R
C6 C -0.2260(8) 0.2470(6) 0.0486(6) 0.051(2) Uani 1 1 d .
H6 H -0.244200 0.179678 -0.003269 0.062 Uiso 1 1 calc R
C19 C 0.4097(9) 0.9759(6) 0.8594(6) 0.050(2) Uani 1 1 d .
H19 H 0.453417 1.038053 0.920410 0.059 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 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2840 1.4300 '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
C27 C26 N3 119.6(6) . 1_455
C25 C26 C27 119.7(6) . .
C25 C26 N3 120.7(6) . 1_455
C26 C27 H27 120.2 . .
C22 C27 C26 119.6(6) . .
C22 C27 H27 120.2 . .
O1 Zn1 C14 135.8(2) . 1_656
O1 Zn1 N1 96.3(2) . .
O1 Zn1 O4 108.2(2) . 1_656
O1 Zn1 N4 105.2(2) . .
O1 Zn1 O5 160.3(2) . 1_656
N1 Zn1 C14 105.8(2) . 1_656
N1 Zn1 O5 100.4(2) . 1_656
O4 Zn1 C14 28.6(2) 1_656 1_656
O4 Zn1 N1 108.4(2) 1_656 .
O4 Zn1 N4 135.0(2) 1_656 .
O4 Zn1 O5 56.5(2) 1_656 1_656
N4 Zn1 C14 109.4(2) . 1_656
N4 Zn1 N1 97.0(2) . .
N4 Zn1 O5 83.2(2) . 1_656
O5 Zn1 C14 27.9(2) 1_656 1_656
C1 O1 Zn1 113.1(5) . .
O4 C14 Zn1 49.7(4) . 1_454
O4 C14 C11 118.0(7) . .
O5 C14 Zn1 72.4(5) . 1_454
O5 C14 O4 122.0(7) . .
O5 C14 C11 119.8(8) . .
C11 C14 Zn1 166.8(6) . 1_454
C15 N1 Zn1 124.8(4) . .
C15 N1 C16 105.2(5) . .
C16 N1 Zn1 129.4(4) . .
C8 O3 C5 118.9(5) . .
C14 O4 Zn1 101.7(5) . 1_454
C29 N4 Zn1 125.8(4) . .
C28 N4 Zn1 126.2(4) . .
C28 N4 C29 106.2(5) . .
C3 C2 C1 121.2(7) . .
C7 C2 C1 120.7(7) . .
C7 C2 C3 118.0(7) . .
C15 N2 C21 106.2(5) . .
C15 N2 C22 126.4(6) . .
C21 N2 C22 127.0(5) . .
N1 C15 N2 113.7(6) . .
N1 C15 H15 123.1 . .
N2 C15 H15 123.1 . .
N1 C16 C17 129.2(6) . .
C21 C16 N1 109.8(5) . .
C21 C16 C17 121.0(6) . .
C28 N3 C26 124.8(6) . 1_655
C28 N3 C34 107.4(5) . .
C34 N3 C26 127.8(6) . 1_655
N4 C29 C34 108.5(6) . .
N4 C29 C30 130.8(6) . .
C30 C29 C34 120.7(6) . .
N4 C28 N3 112.4(6) . .
N4 C28 H28 123.8 . .
N3 C28 H28 123.8 . .
O1 C1 C2 114.9(7) . .
O2 C1 O1 123.2(7) . .
O2 C1 C2 121.9(7) . .
C2 C3 H3 119.2 . .
C2 C3 C4 121.5(7) . .
C4 C3 H3 119.2 . .
N3 C34 C29 105.5(6) . .
N3 C34 C33 132.5(7) . .
C33 C34 C29 121.9(6) . .
C17 C18 H18 118.9 . .
C17 C18 C19 122.2(7) . .
C19 C18 H18 118.9 . .
C14 O5 Zn1 79.7(5) . 1_454
C10 C11 C14 121.7(7) . .
C12 C11 C14 120.2(7) . .
C12 C11 C10 118.1(6) . .
C13 C8 O3 123.3(7) . .
C13 C8 C9 120.8(6) . .
C9 C8 O3 115.8(6) . .
C16 C21 N2 105.0(5) . .
C16 C21 C20 122.5(6) . .
C20 C21 N2 132.5(6) . .
C29 C30 H30 121.7 . .
C31 C30 C29 116.6(7) . .
C31 C30 H30 121.7 . .
C27 C22 N2 120.0(6) . .
C27 C22 C23 120.5(6) . .
C23 C22 N2 119.5(6) . .
C16 C17 H17 122.1 . .
C18 C17 C16 115.9(7) . .
C18 C17 H17 122.1 . .
C4 C5 O3 120.4(7) . .
C4 C5 C6 121.3(7) . .
C6 C5 O3 118.0(7) . .
C30 C31 H31 118.8 . .
C30 C31 C32 122.5(7) . .
C32 C31 H31 118.8 . .
C8 C13 H13 120.4 . .
C8 C13 C12 119.1(7) . .
C12 C13 H13 120.4 . .
C11 C10 H10 119.3 . .
C9 C10 C11 121.4(7) . .
C9 C10 H10 119.3 . .
C11 C12 C13 121.7(7) . .
C11 C12 H12 119.1 . .
C13 C12 H12 119.1 . .
C22 C23 H23 120.4 . .
C24 C23 C22 119.3(7) . .
C24 C23 H23 120.4 . .
C8 C9 H9 120.6 . .
C10 C9 C8 118.8(7) . .
C10 C9 H9 120.6 . .
C23 C24 H24 119.7 . .
C23 C24 C25 120.6(6) . .
C25 C24 H24 119.7 . .
C26 C25 C24 120.3(6) . .
C26 C25 H25 119.8 . .
C24 C25 H25 119.8 . .
C2 C7 H7 119.5 . .
C2 C7 C6 121.1(7) . .
C6 C7 H7 119.5 . .
C21 C20 H20 121.9 . .
C19 C20 C21 116.2(7) . .
C19 C20 H20 121.9 . .
C31 C32 H32 119.0 . .
C33 C32 C31 122.1(7) . .
C33 C32 H32 119.0 . .
C34 C33 H33 121.9 . .
C32 C33 C34 116.2(7) . .
C32 C33 H33 121.9 . .
C3 C4 H4 120.5 . .
C5 C4 C3 119.0(7) . .
C5 C4 H4 120.5 . .
C5 C6 C7 119.1(7) . .
C5 C6 H6 120.5 . .
C7 C6 H6 120.5 . .
C18 C19 H19 118.9 . .
C20 C19 C18 122.3(7) . .
C20 C19 H19 118.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C26 C27 1.394(9) .
C26 N3 1.411(8) 1_455
C26 C25 1.375(9) .
C27 H27 0.9300 .
C27 C22 1.374(9) .
Zn1 O1 1.964(5) .
Zn1 C14 2.578(8) 1_656
Zn1 N1 2.079(5) .
Zn1 O4 2.008(5) 1_656
Zn1 N4 2.045(5) .
Zn1 O5 2.497(6) 1_656
O1 C1 1.282(8) .
C14 O4 1.260(9) .
C14 O5 1.225(9) .
C14 C11 1.496(10) .
N1 C15 1.303(8) .
N1 C16 1.384(8) .
O3 C8 1.385(8) .
O3 C5 1.393(8) .
N4 C29 1.389(8) .
N4 C28 1.316(8) .
C2 C1 1.492(9) .
C2 C3 1.368(10) .
C2 C7 1.364(10) .
N2 C15 1.343(8) .
N2 C21 1.401(8) .
N2 C22 1.426(8) .
C15 H15 0.9300 .
C16 C21 1.383(9) .
C16 C17 1.401(9) .
N3 C28 1.351(8) .
N3 C34 1.382(8) .
C29 C34 1.407(9) .
C29 C30 1.402(9) .
C28 H28 0.9300 .
C1 O2 1.221(8) .
C3 H3 0.9300 .
C3 C4 1.390(10) .
C34 C33 1.404(9) .
C18 H18 0.9300 .
C18 C17 1.376(10) .
C18 C19 1.387(10) .
C11 C10 1.384(10) .
C11 C12 1.364(9) .
C8 C13 1.366(10) .
C8 C9 1.380(9) .
C21 C20 1.384(9) .
C30 H30 0.9300 .
C30 C31 1.370(10) .
C22 C23 1.397(9) .
C17 H17 0.9300 .
C5 C4 1.344(10) .
C5 C6 1.361(10) .
C31 H31 0.9300 .
C31 C32 1.401(11) .
C13 H13 0.9300 .
C13 C12 1.373(10) .
C10 H10 0.9300 .
C10 C9 1.369(10) .
C12 H12 0.9300 .
C23 H23 0.9300 .
C23 C24 1.370(9) .
C9 H9 0.9300 .
C24 H24 0.9300 .
C24 C25 1.381(10) .
C25 H25 0.9300 .
C7 H7 0.9300 .
C7 C6 1.391(10) .
C20 H20 0.9300 .
C20 C19 1.360(10) .
C32 H32 0.9300 .
C32 C33 1.370(10) .
C33 H33 0.9300 .
C4 H4 0.9300 .
C6 H6 0.9300 .
C19 H19 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
C26 C27 C22 N2 -177.8(6) . .
C26 C27 C22 C23 1.4(10) . .
C26 N3 C28 N4 177.1(6) 1_655 .
C26 N3 C34 C29 -178.0(6) 1_655 .
C26 N3 C34 C33 3.8(11) 1_655 .
C27 C26 C25 C24 1.2(10) . .
C27 C22 C23 C24 -0.7(11) . .
Zn1 O1 C1 C2 -176.4(4) . .
Zn1 O1 C1 O2 3.1(9) . .
Zn1 C14 C11 C10 13(3) 1_454 .
Zn1 C14 C11 C12 -165.3(19) 1_454 .
Zn1 N1 C15 N2 -171.9(4) . .
Zn1 N1 C16 C21 172.2(4) . .
Zn1 N1 C16 C17 -10.5(10) . .
Zn1 N4 C29 C34 163.5(4) . .
Zn1 N4 C29 C30 -16.8(10) . .
Zn1 N4 C28 N3 -163.3(4) . .
C14 C11 C10 C9 -175.6(7) . .
C14 C11 C12 C13 176.4(7) . .
N1 C16 C21 N2 -1.1(7) . .
N1 C16 C21 C20 176.5(6) . .
N1 C16 C17 C18 -178.3(6) . .
O3 C8 C13 C12 178.1(7) . .
O3 C8 C9 C10 -177.7(6) . .
O3 C5 C4 C3 174.1(7) . .
O3 C5 C6 C7 -174.5(7) . .
O4 C14 O5 Zn1 1.4(7) . 1_454
O4 C14 C11 C10 -6.3(10) . .
O4 C14 C11 C12 175.1(6) . .
N4 C29 C34 N3 0.8(7) . .
N4 C29 C34 C33 179.1(6) . .
N4 C29 C30 C31 -178.1(7) . .
C2 C3 C4 C5 0.6(12) . .
C2 C7 C6 C5 -0.1(13) . .
N2 C21 C20 C19 179.0(7) . .
N2 C22 C23 C24 178.5(6) . .
C15 N1 C16 C21 0.6(7) . .
C15 N1 C16 C17 177.8(7) . .
C15 N2 C21 C16 1.2(7) . .
C15 N2 C21 C20 -176.1(7) . .
C15 N2 C22 C27 40.3(9) . .
C15 N2 C22 C23 -138.9(7) . .
C16 N1 C15 N2 0.2(7) . .
C16 C21 C20 C19 2.2(10) . .
N3 C26 C27 C22 -179.3(6) 1_455 .
N3 C26 C25 C24 178.8(6) 1_455 .
N3 C34 C33 C32 178.2(7) . .
C29 N4 C28 N3 1.7(7) . .
C29 C34 C33 C32 0.3(10) . .
C29 C30 C31 C32 -2.3(11) . .
C28 N4 C29 C34 -1.5(7) . .
C28 N4 C29 C30 178.2(7) . .
C28 N3 C34 C29 0.2(7) . .
C28 N3 C34 C33 -177.9(7) . .
C1 C2 C3 C4 -178.0(7) . .
C1 C2 C7 C6 177.7(7) . .
C3 C2 C1 O1 1.6(10) . .
C3 C2 C1 O2 -177.9(7) . .
C3 C2 C7 C6 1.1(12) . .
C34 N3 C28 N4 -1.2(7) . .
C34 C29 C30 C31 1.5(10) . .
O5 C14 O4 Zn1 -1.8(8) . 1_454
O5 C14 C11 C10 169.9(7) . .
O5 C14 C11 C12 -8.7(10) . .
C11 C14 O4 Zn1 174.2(5) . 1_454
C11 C14 O5 Zn1 -174.5(6) . 1_454
C11 C10 C9 C8 -0.9(11) . .
C8 O3 C5 C4 67.5(10) . .
C8 O3 C5 C6 -118.6(8) . .
C8 C13 C12 C11 -0.5(12) . .
C21 N2 C15 N1 -0.9(8) . .
C21 N2 C22 C27 -147.5(6) . .
C21 N2 C22 C23 33.3(10) . .
C21 C16 C17 C18 -1.3(10) . .
C21 C20 C19 C18 -1.0(11) . .
C30 C29 C34 N3 -179.0(6) . .
C30 C29 C34 C33 -0.6(10) . .
C30 C31 C32 C33 2.1(12) . .
C22 N2 C15 N1 172.6(6) . .
C22 N2 C21 C16 -172.3(6) . .
C22 N2 C21 C20 10.5(11) . .
C22 C23 C24 C25 0.2(11) . .
C17 C16 C21 N2 -178.6(6) . .
C17 C16 C21 C20 -1.0(10) . .
C17 C18 C19 C20 -1.3(12) . .
C5 O3 C8 C13 21.8(10) . .
C5 O3 C8 C9 -162.6(7) . .
C31 C32 C33 C34 -1.0(11) . .
C13 C8 C9 C10 -2.0(11) . .
C10 C11 C12 C13 -2.3(11) . .
C12 C11 C10 C9 3.0(11) . .
C23 C24 C25 C26 -0.5(11) . .
C9 C8 C13 C12 2.7(11) . .
C25 C26 C27 C22 -1.7(10) . .
C7 C2 C1 O1 -174.9(7) . .
C7 C2 C1 O2 5.6(11) . .
C7 C2 C3 C4 -1.4(12) . .
C4 C5 C6 C7 -0.7(13) . .
C6 C5 C4 C3 0.4(13) . .
C19 C18 C17 C16 2.4(11) . .
