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#$Date: 2016-08-07 12:12:09 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185471 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/98/7039811.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_7039811
loop_
_publ_author_name
'Liu, Lei-Lei'
'Yu, Cai-Xia'
'Du, Ji-Min'
'Liu, Shi-Min'
'Cao, Jing-Shuai'
'Ma, Lu-Fang'
_publ_section_title
;
 Construction of five Zn(ii)/Cd(ii) coordination polymers derived from a
 new linear carboxylate/pyridyl ligand: design, synthesis, and
 photocatalytic properties.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12352
_journal_page_last               12361
_journal_paper_doi               10.1039/c6dt02312f
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         '2(C33 H24 N4 O7 Zn), 2(C2 H3 N), O'
_chemical_formula_sum            'C70 H54 N10 O15 Zn2'
_chemical_formula_weight         1405.97
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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-2013
_audit_update_record
;
2016-06-28 deposited with the CCDC.
2016-07-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.65(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.396(4)
_cell_length_b                   18.376(4)
_cell_length_c                   10.149(2)
_cell_measurement_reflns_used    3661
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.19
_cell_measurement_theta_min      2.31
_cell_volume                     3207.4(12)
_computing_cell_refinement       'Bruker SAINT (Bruker, 2003)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2005)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2003)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0750
_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            32615
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.313
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.826
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flake
_exptl_crystal_F_000             1448
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.320
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         5648
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0538
_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)+(0.0558P)²+1.6937P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1280
_refine_ls_wR_factor_ref         0.1424
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3546
_reflns_number_total             5648
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt02312f2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7039808--7039812.cif.'
_cod_original_cell_volume        3207.4(11)
_cod_database_code               7039811
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.761
_shelx_estimated_absorpt_t_max   0.922
_shelxl_version_number           2013-2
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Zn1 Zn 0.78368(3) 0.03143(3) 0.89854(4) 0.0668(2) Uani 1 1 d . . .
C1 C 0.8481(3) 0.1812(2) 0.8661(4) 0.0671(11) Uani 1 1 d . . .
H1 H 0.8803 0.1585 0.8132 0.081 Uiso 1 1 calc R U .
C2 C 0.8514(3) 0.2550(2) 0.8801(5) 0.0723(12) Uani 1 1 d . . .
H2 H 0.8859 0.2820 0.8381 0.087 Uiso 1 1 calc R U .
C3 C 0.8034(3) 0.2894(2) 0.9568(4) 0.0701(12) Uani 1 1 d . . .
H3 H 0.8057 0.3397 0.9677 0.084 Uiso 1 1 calc R U .
C4 C 0.7523(2) 0.2492(2) 1.0167(4) 0.0552(10) Uani 1 1 d . . .
C5 C 0.7533(2) 0.1749(2) 0.9999(3) 0.0561(10) Uani 1 1 d . . .
H5 H 0.7197 0.1468 1.0421 0.067 Uiso 1 1 calc R U .
C6 C 0.6967(2) 0.2843(2) 1.0968(4) 0.0632(11) Uani 1 1 d . . .
H6A H 0.7249 0.3149 1.1656 0.076 Uiso 1 1 calc R U .
H6B H 0.6599 0.3144 1.0397 0.076 Uiso 1 1 calc R U .
C7 C 0.6032(2) 0.2475(2) 1.2336(4) 0.0617(11) Uani 1 1 d . . .
C8 C 0.5864(2) 0.3181(2) 1.2676(4) 0.0683(12) Uani 1 1 d . . .
H8 H 0.6116 0.3572 1.2347 0.082 Uiso 1 1 calc R U .
C9 C 0.5319(3) 0.3296(3) 1.3510(4) 0.0752(13) Uani 1 1 d . . .
H9 H 0.5204 0.3769 1.3744 0.090 Uiso 1 1 calc R U .
C10 C 0.4949(3) 0.2730(3) 1.3990(4) 0.0673(11) Uani 1 1 d . U .
C11 C 0.5115(3) 0.2022(3) 1.3659(4) 0.0759(13) Uani 1 1 d . . .
H11 H 0.4862 0.1633 1.3994 0.091 Uiso 1 1 calc R U .
C12 C 0.5663(3) 0.1898(3) 1.2825(4) 0.0751(13) Uani 1 1 d . . .
H12 H 0.5779 0.1425 1.2596 0.090 Uiso 1 1 calc R U .
C13 C 0.3506(3) 0.2561(2) 1.6099(4) 0.0672(11) Uani 1 1 d . U .
C14 C 0.3364(3) 0.3246(3) 1.6585(5) 0.0784(13) Uani 1 1 d . . .
H14 H 0.3640 0.3648 1.6352 0.094 Uiso 1 1 calc R U .
C15 C 0.2814(3) 0.3327(2) 1.7412(5) 0.0729(12) Uani 1 1 d . . .
H15 H 0.2723 0.3787 1.7737 0.087 Uiso 1 1 calc R U .
C16 C 0.2395(2) 0.2747(2) 1.7772(4) 0.0603(11) Uani 1 1 d . . .
C17 C 0.2547(3) 0.2060(2) 1.7292(4) 0.0719(12) Uani 1 1 d . . .
H17 H 0.2273 0.1658 1.7528 0.086 Uiso 1 1 calc R U .
C18 C 0.3100(3) 0.1973(3) 1.6472(4) 0.0773(13) Uani 1 1 d . . .
H18 H 0.3202 0.1511 1.6166 0.093 Uiso 1 1 calc R U .
C19 C 0.1782(3) 0.2871(3) 1.8617(4) 0.0684(12) Uani 1 1 d . . .
C20 C 0.0859(3) 0.2293(3) 1.9752(5) 0.0861(15) Uani 1 1 d . . .
H20A H 0.0379 0.2442 1.9204 0.103 Uiso 1 1 calc R U .
H20B H 0.0991 0.2651 2.0451 0.103 Uiso 1 1 calc R U .
C21 C 0.0759(2) 0.1564(2) 2.0347(4) 0.0646(11) Uani 1 1 d . . .
C22 C 0.0110(3) 0.1424(3) 2.0962(4) 0.0788(13) Uani 1 1 d . . .
H22 H -0.0274 0.1776 2.0967 0.095 Uiso 1 1 calc R U .
C23 C 0.0042(3) 0.0763(3) 2.1560(5) 0.0851(14) Uani 1 1 d . . .
H23 H -0.0392 0.0657 2.1961 0.102 Uiso 1 1 calc R U .
C24 C 0.0618(3) 0.0267(3) 2.1555(5) 0.0854(15) Uani 1 1 d . . .
H24 H 0.0576 -0.0173 2.1990 0.102 Uiso 1 1 calc R U .
C25 C 0.1303(3) 0.1019(2) 2.0353(4) 0.0640(11) Uani 1 1 d . . .
H25 H 0.1729 0.1102 1.9919 0.077 Uiso 1 1 calc R U .
C26 C 0.7456(4) 0.0298(2) 0.6354(4) 0.0712(14) Uani 1 1 d . . .
C27 C 0.7035(3) 0.0138(2) 0.4994(4) 0.0631(12) Uani 1 1 d . . .
C28 C 0.6254(3) -0.0045(2) 0.4765(4) 0.0770(14) Uani 1 1 d . . .
H28 H 0.5977 -0.0079 0.5479 0.092 Uiso 1 1 calc R U .
C29 C 0.5882(3) -0.0178(3) 0.3488(4) 0.0882(15) Uani 1 1 d . . .
H29 H 0.5357 -0.0295 0.3347 0.106 Uiso 1 1 calc R U .
C30 C 0.6285(3) -0.0138(2) 0.2418(4) 0.0752(13) Uani 1 1 d . . .
H30 H 0.6033 -0.0230 0.1560 0.090 Uiso 1 1 calc R U .
C31 C 0.7069(3) 0.0043(2) 0.2634(3) 0.0582(11) Uani 1 1 d . . .
C32 C 0.7428(3) 0.01795(19) 0.3913(3) 0.0590(11) Uani 1 1 d . . .
H32 H 0.7952 0.0304 0.4053 0.071 Uiso 1 1 calc R U .
C33 C 0.7540(3) 0.0096(2) 0.1509(4) 0.0609(11) Uani 1 1 d . . .
N1 N 0.79993(19) 0.14060(17) 0.9261(3) 0.0568(8) Uani 1 1 d . . .
N2 N 0.4381(2) 0.2916(2) 1.4854(4) 0.0748(10) Uani 1 1 d . U .
N3 N 0.4068(2) 0.2375(2) 1.5237(4) 0.0719(10) Uani 1 1 d . U .
N4 N 0.1250(2) 0.03775(19) 2.0954(3) 0.0678(10) Uani 1 1 d . . .
O1 O 0.65719(18) 0.22900(15) 1.1551(3) 0.0751(8) Uani 1 1 d . . .
O2 O 0.1580(2) 0.34539(18) 1.8951(3) 0.0951(11) Uani 1 1 d . . .
O3 O 0.14721(17) 0.22419(16) 1.8953(3) 0.0765(9) Uani 1 1 d . . .
O4 O 0.7099(2) 0.01639(15) 0.7334(2) 0.0789(9) Uani 1 1 d . . .
O5 O 0.8122(2) 0.05511(17) 0.6486(3) 0.0808(10) Uani 1 1 d . . .
O6 O 0.8237(2) 0.0216(2) 0.1756(3) 0.0904(10) Uani 1 1 d . . .
O7 O 0.71726(17) 0.00369(15) 0.0320(2) 0.0670(8) Uani 1 1 d . . .
N5 N 0.9745(4) 0.1627(4) 0.6591(7) 0.170(3) Uani 1 1 d . U .
C34 C 1.0098(6) 0.1236(6) 0.6267(11) 0.190(4) Uani 1 1 d D U .
C35 C 1.0752(5) 0.0660(3) 0.5974(7) 0.164(3) Uani 1 1 d D U .
H35A H 1.0535 0.0337 0.5272 0.247 Uiso 1 1 calc R U .
H35B H 1.0924 0.0383 0.6766 0.247 Uiso 1 1 calc R U .
H35C H 1.1185 0.0916 0.5711 0.247 Uiso 1 1 calc R U .
O1W O 0.5567(9) 0.5175(8) 1.3873(18) 0.270(8) Uani 0.5 1 d . . P
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
O4 Zn1 O7 99.98(12) . 1_556
O4 Zn1 N4 110.18(13) . 3_658
O7 Zn1 N4 110.74(13) 1_556 3_658
O4 Zn1 N1 108.29(12) . .
O7 Zn1 N1 104.06(12) 1_556 .
N4 Zn1 N1 121.36(14) 3_658 .
N1 C1 C2 121.8(4) . .
N1 C1 H1 119.1 . .
C2 C1 H1 119.1 . .
C1 C2 C3 119.7(4) . .
C1 C2 H2 120.2 . .
C3 C2 H2 120.2 . .
C4 C3 C2 119.5(4) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C3 C4 C5 117.4(4) . .
C3 C4 C6 121.6(4) . .
C5 C4 C6 121.0(4) . .
N1 C5 C4 123.7(4) . .
N1 C5 H5 118.2 . .
C4 C5 H5 118.2 . .
O1 C6 C4 108.2(3) . .
O1 C6 H6A 110.1 . .
C4 C6 H6A 110.1 . .
O1 C6 H6B 110.1 . .
C4 C6 H6B 110.1 . .
H6A C6 H6B 108.4 . .
O1 C7 C12 114.9(4) . .
O1 C7 C8 124.6(4) . .
C12 C7 C8 120.5(4) . .
C9 C8 C7 119.1(4) . .
C9 C8 H8 120.4 . .
C7 C8 H8 120.4 . .
C10 C9 C8 120.8(4) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C9 C10 C11 120.5(4) . .
C9 C10 N2 116.1(4) . .
C11 C10 N2 123.5(4) . .
C12 C11 C10 119.3(4) . .
C12 C11 H11 120.3 . .
C10 C11 H11 120.3 . .
C7 C12 C11 119.8(4) . .
C7 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
C18 C13 C14 119.4(4) . .
C18 C13 N3 113.7(4) . .
C14 C13 N3 126.9(4) . .
C15 C14 C13 119.5(4) . .
C15 C14 H14 120.3 . .
C13 C14 H14 120.3 . .
C16 C15 C14 121.8(4) . .
C16 C15 H15 119.1 . .
C14 C15 H15 119.1 . .
C15 C16 C17 118.3(4) . .
C15 C16 C19 119.5(4) . .
C17 C16 C19 122.2(4) . .
C18 C17 C16 120.3(4) . .
C18 C17 H17 119.8 . .
C16 C17 H17 119.8 . .
C17 C18 C13 120.7(4) . .
C17 C18 H18 119.6 . .
C13 C18 H18 119.6 . .
O2 C19 O3 123.8(4) . .
O2 C19 C16 124.7(4) . .
O3 C19 C16 111.5(4) . .
O3 C20 C21 108.2(4) . .
O3 C20 H20A 110.1 . .
C21 C20 H20A 110.1 . .
O3 C20 H20B 110.1 . .
C21 C20 H20B 110.1 . .
H20A C20 H20B 108.4 . .
C25 C21 C22 117.8(4) . .
C25 C21 C20 122.2(4) . .
C22 C21 C20 120.0(4) . .
C23 C22 C21 119.4(5) . .
C23 C22 H22 120.3 . .
C21 C22 H22 120.3 . .
C24 C23 C22 118.7(5) . .
C24 C23 H23 120.6 . .
C22 C23 H23 120.6 . .
N4 C24 C23 123.6(5) . .
N4 C24 H24 118.2 . .
C23 C24 H24 118.2 . .
N4 C25 C21 123.2(4) . .
N4 C25 H25 118.4 . .
C21 C25 H25 118.4 . .
O5 C26 O4 123.1(4) . .
O5 C26 C27 119.7(4) . .
O4 C26 C27 117.1(5) . .
C32 C27 C28 118.1(4) . .
C32 C27 C26 119.5(5) . .
C28 C27 C26 122.4(4) . .
C29 C28 C27 120.6(4) . .
C29 C28 H28 119.7 . .
C27 C28 H28 119.7 . .
C30 C29 C28 120.6(5) . .
C30 C29 H29 119.7 . .
C28 C29 H29 119.7 . .
C29 C30 C31 119.4(4) . .
C29 C30 H30 120.3 . .
C31 C30 H30 120.3 . .
C32 C31 C30 119.2(4) . .
C32 C31 C33 118.8(4) . .
C30 C31 C33 122.0(4) . .
C31 C32 C27 122.1(4) . .
C31 C32 H32 119.0 . .
C27 C32 H32 119.0 . .
O6 C33 O7 123.2(4) . .
O6 C33 C31 119.6(4) . .
O7 C33 C31 117.2(4) . .
C1 N1 C5 117.8(3) . .
C1 N1 Zn1 124.8(3) . .
C5 N1 Zn1 117.1(3) . .
N3 N2 C10 112.0(4) . .
N2 N3 C13 111.9(4) . .
C25 N4 C24 117.1(4) . .
C25 N4 Zn1 117.3(3) . 3_658
C24 N4 Zn1 125.4(3) . 3_658
C7 O1 C6 119.3(3) . .
C19 O3 C20 116.6(4) . .
C26 O4 Zn1 107.8(3) . .
C33 O7 Zn1 111.3(3) . 1_554
N5 C34 C35 170.5(15) . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 1.971(3) .
Zn1 O7 1.974(3) 1_556
Zn1 N4 2.029(4) 3_658
Zn1 N1 2.039(3) .
C1 N1 1.336(5) .
C1 C2 1.364(6) .
C1 H1 0.9300 .
C2 C3 1.379(6) .
C2 H2 0.9300 .
C3 C4 1.367(5) .
C3 H3 0.9300 .
C4 C5 1.377(5) .
C4 C6 1.499(5) .
C5 N1 1.341(4) .
C5 H5 0.9300 .
C6 O1 1.406(5) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 O1 1.363(5) .
C7 C12 1.370(6) .
C7 C8 1.385(6) .
C8 C9 1.379(5) .
C8 H8 0.9300 .
C9 C10 1.351(6) .
C9 H9 0.9300 .
C10 C11 1.386(6) .
C10 N2 1.457(5) .
C11 C12 1.385(6) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C18 1.375(6) .
C13 C14 1.387(6) .
C13 N3 1.448(5) .
C14 C15 1.374(6) .
C14 H14 0.9300 .
C15 C16 1.371(5) .
C15 H15 0.9300 .
C16 C17 1.394(6) .
C16 C19 1.482(6) .
C17 C18 1.373(6) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 O2 1.193(5) .
C19 O3 1.340(5) .
C20 O3 1.436(5) .
C20 C21 1.490(6) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C25 1.377(6) .
C21 C22 1.393(5) .
C22 C23 1.370(6) .
C22 H22 0.9300 .
C23 C24 1.355(7) .
C23 H23 0.9300 .
C24 N4 1.349(5) .
C24 H24 0.9300 .
C25 N4 1.337(5) .
C25 H25 0.9300 .
C26 O5 1.237(6) .
C26 O4 1.274(5) .
C26 C27 1.491(6) .
C27 C32 1.379(5) .
C27 C28 1.385(6) .
C28 C29 1.380(6) .
C28 H28 0.9300 .
C29 C30 1.380(6) .
C29 H29 0.9300 .
C30 C31 1.389(6) .
C30 H30 0.9300 .
C31 C32 1.376(5) .
C31 C33 1.506(5) .
C32 H32 0.9300 .
C33 O6 1.219(5) .
C33 O7 1.283(5) .
N2 N3 1.225(5) .
N4 Zn1 2.029(4) 3_658
O7 Zn1 1.975(3) 1_554
N5 C34 1.030(9) .
C34 C35 1.614(9) .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
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
N1 C1 C2 C3 -0.8(7) .
C1 C2 C3 C4 -0.7(7) .
C2 C3 C4 C5 1.8(6) .
C2 C3 C4 C6 -177.6(4) .
C3 C4 C5 N1 -1.6(6) .
C6 C4 C5 N1 177.9(3) .
C3 C4 C6 O1 -174.8(4) .
C5 C4 C6 O1 5.7(5) .
O1 C7 C8 C9 -178.3(4) .
C12 C7 C8 C9 -0.2(7) .
C7 C8 C9 C10 -0.1(7) .
C8 C9 C10 C11 0.4(7) .
C8 C9 C10 N2 -179.7(4) .
C9 C10 C11 C12 -0.3(7) .
N2 C10 C11 C12 179.7(4) .
O1 C7 C12 C11 178.6(4) .
C8 C7 C12 C11 0.3(7) .
C10 C11 C12 C7 0.0(7) .
C18 C13 C14 C15 -1.0(7) .
N3 C13 C14 C15 -179.1(4) .
C13 C14 C15 C16 -0.2(7) .
C14 C15 C16 C17 0.9(7) .
C14 C15 C16 C19 -177.1(4) .
C15 C16 C17 C18 -0.5(7) .
C19 C16 C17 C18 177.6(4) .
C16 C17 C18 C13 -0.8(7) .
C14 C13 C18 C17 1.5(7) .
N3 C13 C18 C17 179.8(4) .
C15 C16 C19 O2 5.2(7) .
C17 C16 C19 O2 -172.8(5) .
C15 C16 C19 O3 -175.4(4) .
C17 C16 C19 O3 6.6(6) .
O3 C20 C21 C25 14.2(6) .
O3 C20 C21 C22 -168.0(4) .
C25 C21 C22 C23 0.9(7) .
C20 C21 C22 C23 -177.0(5) .
C21 C22 C23 C24 1.2(7) .
C22 C23 C24 N4 -2.2(8) .
C22 C21 C25 N4 -2.2(6) .
C20 C21 C25 N4 175.7(4) .
O5 C26 C27 C32 8.9(6) .
O4 C26 C27 C32 -171.4(4) .
O5 C26 C27 C28 -170.5(4) .
O4 C26 C27 C28 9.3(6) .
C32 C27 C28 C29 -0.4(7) .
C26 C27 C28 C29 179.0(4) .
C27 C28 C29 C30 0.7(7) .
C28 C29 C30 C31 -0.4(7) .
C29 C30 C31 C32 -0.2(7) .
C29 C30 C31 C33 -180.0(4) .
C30 C31 C32 C27 0.5(6) .
C33 C31 C32 C27 -179.7(3) .
C28 C27 C32 C31 -0.2(6) .
C26 C27 C32 C31 -179.6(4) .
C32 C31 C33 O6 4.3(6) .
C30 C31 C33 O6 -175.9(4) .
C32 C31 C33 O7 -173.2(3) .
C30 C31 C33 O7 6.6(6) .
C2 C1 N1 C5 1.1(6) .
C2 C1 N1 Zn1 174.3(3) .
C4 C5 N1 C1 0.1(6) .
C4 C5 N1 Zn1 -173.6(3) .
C9 C10 N2 N3 179.4(4) .
C11 C10 N2 N3 -0.6(6) .
C10 N2 N3 C13 179.8(3) .
C18 C13 N3 N2 175.5(4) .
C14 C13 N3 N2 -6.3(6) .
C21 C25 N4 C24 1.2(6) .
C21 C25 N4 Zn1 -173.9(3) 3_658
C23 C24 N4 C25 1.0(7) .
C23 C24 N4 Zn1 175.8(4) 3_658
C12 C7 O1 C6 178.2(4) .
C8 C7 O1 C6 -3.7(6) .
C4 C6 O1 C7 179.8(3) .
O2 C19 O3 C20 0.6(7) .
C16 C19 O3 C20 -178.8(4) .
C21 C20 O3 C19 -163.4(4) .
O5 C26 O4 Zn1 -7.0(5) .
C27 C26 O4 Zn1 173.3(3) .
O6 C33 O7 Zn1 -8.8(5) 1_554
C31 C33 O7 Zn1 168.6(3) 1_554
