#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:37:24 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179589 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/54/4505472.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_4505472
loop_
_publ_author_name
'Mu, Yajuan'
'Han, Gang'
'Li, Zhen'
'Liu, Xiaoting'
'Hou, Hongwei'
'Fan, Yaoting'
_publ_section_title
;
 Effect of Organic Polycarboxylate Ligands on the Structures of a Series
 of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole
 Ligand
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1193
_journal_paper_doi               10.1021/cg201180u
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C33 H28 N6 O9 Zn'
_chemical_formula_weight         717.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.75(3)
_cell_angle_beta                 92.08(3)
_cell_angle_gamma                101.96(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4971(19)
_cell_length_b                   11.355(2)
_cell_length_c                   14.608(3)
_cell_measurement_reflns_used    4890
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8605
_cell_measurement_theta_min      2.0995
_cell_volume                     1503.8(6)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_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  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18835
_diffrn_reflns_theta_full        27.91
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    0.887
_exptl_absorpt_correction_T_max  0.8426
_exptl_absorpt_correction_T_min  0.7768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC Inc., 2006)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.613
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     448
_refine_ls_number_reflns         7127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0517
_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)+(0.0553P)²+0.8702P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1221
_refine_ls_wR_factor_ref         0.1271
_reflns_number_gt                6348
_reflns_number_total             7127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg201180u_si_002.cif
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1503.8(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4505472
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.32406(3) 0.57489(3) 0.30519(2) 0.02855(11) Uani 1 1 d .
N1 N 0.5407(3) 0.6485(2) 0.32894(16) 0.0331(5) Uani 1 1 d .
N2 N 0.7607(3) 0.7182(4) 0.2898(2) 0.0724(11) Uani 1 1 d .
N3 N 0.7675(2) 0.7013(2) 0.37848(16) 0.0335(5) Uani 1 1 d .
N4 N 0.3387(2) 0.3968(2) 0.26021(15) 0.0313(5) Uani 1 1 d .
N5 N 0.4416(3) 0.2336(2) 0.24592(18) 0.0399(6) Uani 1 1 d .
N6 N 0.3319(2) 0.2134(2) 0.17765(16) 0.0308(5) Uani 1 1 d .
C1 C 0.6222(4) 0.6833(4) 0.2630(2) 0.0629(11) Uani 1 1 d .
H1 H 0.5845 0.6829 0.2033 0.075 Uiso 1 1 calc R
C2 C 0.6356(3) 0.6620(3) 0.4009(2) 0.0358(6) Uani 1 1 d .
H2 H 0.6124 0.6460 0.4591 0.043 Uiso 1 1 calc R
C3 C 0.9053(3) 0.7337(3) 0.4365(2) 0.0380(7) Uani 1 1 d .
H3A H 0.9777 0.7013 0.4003 0.046 Uiso 1 1 calc R
H3B H 0.8936 0.6959 0.4904 0.046 Uiso 1 1 calc R
C4 C 0.9567(3) 0.8722(2) 0.47007(19) 0.0310(6) Uani 1 1 d .
C5 C 1.0478(3) 0.9400(3) 0.41670(19) 0.0332(6) Uani 1 1 d .
C6 C 1.1014(4) 0.8777(3) 0.3272(2) 0.0567(9) Uani 1 1 d .
H6A H 1.0745 0.9124 0.2762 0.085 Uiso 1 1 calc R
H6B H 1.0591 0.7910 0.3140 0.085 Uiso 1 1 calc R
H6C H 1.2047 0.8902 0.3346 0.085 Uiso 1 1 calc R
C7 C 1.0909(3) 1.0682(3) 0.44674(19) 0.0330(6) Uani 1 1 d .
C8 C 1.1883(4) 1.1396(3) 0.3880(2) 0.0518(9) Uani 1 1 d .
H8A H 1.2837 1.1247 0.3943 0.078 Uiso 1 1 calc R
H8B H 1.1921 1.2261 0.4090 0.078 Uiso 1 1 calc R
H8C H 1.1512 1.1135 0.3234 0.078 Uiso 1 1 calc R
C9 C 0.4424(3) 0.3450(3) 0.2939(2) 0.0372(6) Uani 1 1 d .
H9 H 0.5070 0.3849 0.3456 0.045 Uiso 1 1 calc R
C10 C 0.2724(3) 0.3107(2) 0.18747(19) 0.0309(6) Uani 1 1 d .
H10 H 0.1955 0.3174 0.1490 0.037 Uiso 1 1 calc R
C11 C 0.2850(3) 0.0923(3) 0.1130(2) 0.0353(6) Uani 1 1 d .
H11A H 0.2063 0.0961 0.0702 0.042 Uiso 1 1 calc R
H11B H 0.2475 0.0316 0.1491 0.042 Uiso 1 1 calc R
C12 C 0.4015(3) 0.0486(2) 0.05588(19) 0.0309(6) Uani 1 1 d .
C13 C 0.4747(3) -0.0334(2) 0.08715(19) 0.0308(6) Uani 1 1 d .
C14 C 0.5734(3) -0.0830(2) 0.0297(2) 0.0317(6) Uani 1 1 d .
C15 C 0.6484(4) -0.1754(3) 0.0612(2) 0.0463(8) Uani 1 1 d .
H15A H 0.6945 -0.2145 0.0098 0.069 Uiso 1 1 calc R
H15B H 0.5785 -0.2366 0.0818 0.069 Uiso 1 1 calc R
H15C H 0.7196 -0.1336 0.1121 0.069 Uiso 1 1 calc R
C16 C 0.4499(4) -0.0672(3) 0.1807(2) 0.0420(7) Uani 1 1 d .
H16A H 0.4293 0.0016 0.2241 0.063 Uiso 1 1 calc R
H16B H 0.5349 -0.0883 0.2043 0.063 Uiso 1 1 calc R
H16C H 0.3697 -0.1365 0.1733 0.063 Uiso 1 1 calc R
C17 C 0.2684(3) 0.6212(2) 0.48481(18) 0.0295(5) Uani 1 1 d .
C18 C 0.3609(3) 0.8950(2) 0.55969(18) 0.0302(6) Uani 1 1 d .
C19 C 0.2595(3) 0.8160(2) 0.60871(17) 0.0254(5) Uani 1 1 d .
C20 C 0.2188(3) 0.6881(2) 0.57374(17) 0.0274(5) Uani 1 1 d .
C21 C 0.1316(3) 0.6162(3) 0.62538(19) 0.0340(6) Uani 1 1 d .
H21 H 0.0984 0.5322 0.6006 0.041 Uiso 1 1 calc R
C22 C 0.0930(3) 0.6667(3) 0.71266(19) 0.0326(6) Uani 1 1 d .
H22 H 0.0387 0.6166 0.7475 0.039 Uiso 1 1 calc R
C23 C 0.1364(3) 0.7936(2) 0.74797(17) 0.0260(5) Uani 1 1 d .
C24 C 0.2134(3) 0.8677(2) 0.69434(17) 0.0266(5) Uani 1 1 d .
H24 H 0.2347 0.9529 0.7155 0.032 Uiso 1 1 calc R
C25 C 0.1015(3) 0.8499(2) 0.84450(18) 0.0277(5) Uani 1 1 d .
C26 C 0.1210(3) 0.7843(2) 0.92132(17) 0.0272(5) Uani 1 1 d .
C27 C 0.2168(3) 0.7073(3) 0.91682(18) 0.0316(6) Uani 1 1 d .
H27 H 0.2713 0.6963 0.8654 0.038 Uiso 1 1 calc R
C28 C 0.2326(3) 0.6455(3) 0.98939(19) 0.0323(6) Uani 1 1 d .
C29 C 0.3394(3) 0.5682(3) 0.9837(2) 0.0404(7) Uani 1 1 d .
C30 C 0.1494(3) 0.6603(3) 1.06648(18) 0.0326(6) Uani 1 1 d .
C31 C 0.0539(3) 0.7380(3) 1.07047(19) 0.0374(6) Uani 1 1 d .
H31 H -0.0030 0.7475 1.1208 0.045 Uiso 1 1 calc R
C32 C 0.0425(3) 0.8013(3) 1.00028(19) 0.0341(6) Uani 1 1 d .
H32 H -0.0185 0.8563 1.0056 0.041 Uiso 1 1 calc R
C33 C 0.1681(3) 0.6000(3) 1.1488(2) 0.0366(6) Uani 1 1 d .
O1 O 0.2114(2) 0.6320(2) 0.40764(13) 0.0396(5) Uani 1 1 d .
O2 O 0.3572(3) 0.5575(2) 0.49130(15) 0.0477(6) Uani 1 1 d .
O3 O 0.4345(3) 0.85356(19) 0.49985(17) 0.0525(6) Uani 1 1 d .
O4 O 0.3696(3) 1.01410(18) 0.58886(16) 0.0476(6) Uani 1 1 d .
H4 H 0.4254 1.0521 0.5580 0.071 Uiso 1 1 calc R
O5 O 0.4293(3) 0.5821(3) 0.91940(19) 0.0610(7) Uani 1 1 d .
H5 H 0.4885 0.5394 0.9222 0.091 Uiso 1 1 calc R
O6 O 0.3439(3) 0.4970(3) 1.0361(2) 0.0740(9) Uani 1 1 d .
O7 O 0.2810(3) 0.6504(2) 1.20220(15) 0.0497(6) Uani 1 1 d .
O8 O 0.0788(3) 0.5123(3) 1.1596(2) 0.0750(9) Uani 1 1 d .
O9 O 0.0595(2) 0.94594(19) 0.85952(14) 0.0408(5) 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'
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
O7 Zn1 O1 107.00(10) 1_554 .
O7 Zn1 N4 112.38(10) 1_554 .
O1 Zn1 N4 124.41(9) . .
O7 Zn1 N1 99.10(10) 1_554 .
O1 Zn1 N1 114.12(10) . .
N4 Zn1 N1 96.80(10) . .
C2 N1 C1 103.3(3) . .
C2 N1 Zn1 133.1(2) . .
C1 N1 Zn1 123.2(2) . .
C1 N2 N3 103.4(3) . .
C2 N3 N2 108.8(2) . .
C2 N3 C3 129.6(3) . .
N2 N3 C3 121.4(2) . .
C10 N4 C9 103.6(2) . .
C10 N4 Zn1 131.3(2) . .
C9 N4 Zn1 124.51(19) . .
C9 N5 N6 103.1(2) . .
C10 N6 N5 110.0(2) . .
C10 N6 C11 128.8(2) . .
N5 N6 C11 120.8(2) . .
N2 C1 N1 114.0(3) . .
N2 C1 H1 123.0 . .
N1 C1 H1 123.0 . .
N3 C2 N1 110.4(3) . .
N3 C2 H2 124.8 . .
N1 C2 H2 124.8 . .
N3 C3 C4 111.7(2) . .
N3 C3 H3A 109.3 . .
C4 C3 H3A 109.3 . .
N3 C3 H3B 109.3 . .
C4 C3 H3B 109.3 . .
H3A C3 H3B 107.9 . .
C5 C4 C7 120.5(2) . 2_776
C5 C4 C3 120.0(3) . .
C7 C4 C3 119.5(3) 2_776 .
C7 C5 C4 119.5(2) . .
C7 C5 C6 119.0(3) . .
C4 C5 C6 121.5(3) . .
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 C4 120.0(2) . 2_776
C5 C7 C8 118.7(3) . .
C4 C7 C8 121.4(3) 2_776 .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N5 C9 N4 113.4(3) . .
N5 C9 H9 123.3 . .
N4 C9 H9 123.3 . .
N4 C10 N6 109.9(2) . .
N4 C10 H10 125.1 . .
N6 C10 H10 125.1 . .
N6 C11 C12 115.0(2) . .
N6 C11 H11A 108.5 . .
C12 C11 H11A 108.5 . .
N6 C11 H11B 108.5 . .
C12 C11 H11B 108.5 . .
H11A C11 H11B 107.5 . .
C14 C12 C13 121.4(2) 2_655 .
C14 C12 C11 119.6(3) 2_655 .
C13 C12 C11 118.8(3) . .
C12 C13 C14 118.8(3) . .
C12 C13 C16 121.1(3) . .
C14 C13 C16 120.2(3) . .
C12 C14 C13 119.8(3) 2_655 .
C12 C14 C15 121.2(3) 2_655 .
C13 C14 C15 119.1(3) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O2 C17 O1 124.4(3) . .
O2 C17 C20 118.5(2) . .
O1 C17 C20 117.0(2) . .
O3 C18 O4 122.6(2) . .
O3 C18 C19 122.8(2) . .
O4 C18 C19 114.5(2) . .
C24 C19 C20 119.6(2) . .
C24 C19 C18 119.6(2) . .
C20 C19 C18 120.6(2) . .
C21 C20 C19 118.7(2) . .
C21 C20 C17 116.9(2) . .
C19 C20 C17 124.3(2) . .
C22 C21 C20 121.5(3) . .
C22 C21 H21 119.3 . .
C20 C21 H21 119.3 . .
C21 C22 C23 119.4(2) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C24 C23 C22 119.8(2) . .
C24 C23 C25 119.8(2) . .
C22 C23 C25 120.4(2) . .
C23 C24 C19 120.6(2) . .
C23 C24 H24 119.7 . .
C19 C24 H24 119.7 . .
O9 C25 C26 121.3(2) . .
O9 C25 C23 121.1(2) . .
C26 C25 C23 117.6(2) . .
C27 C26 C32 118.7(2) . .
C27 C26 C25 121.3(2) . .
C32 C26 C25 119.9(2) . .
C26 C27 C28 120.5(2) . .
C26 C27 H27 119.8 . .
C28 C27 H27 119.8 . .
C30 C28 C27 120.1(3) . .
C30 C28 C29 121.0(2) . .
C27 C28 C29 118.9(3) . .
O6 C29 O5 123.0(3) . .
O6 C29 C28 122.4(3) . .
O5 C29 C28 114.7(3) . .
C31 C30 C28 119.0(2) . .
C31 C30 C33 119.1(2) . .
C28 C30 C33 121.8(3) . .
C32 C31 C30 120.5(3) . .
C32 C31 H31 119.8 . .
C30 C31 H31 119.8 . .
C31 C32 C26 121.2(3) . .
C31 C32 H32 119.4 . .
C26 C32 H32 119.4 . .
O8 C33 O7 125.1(3) . .
O8 C33 C30 120.7(3) . .
O7 C33 C30 114.2(3) . .
C17 O1 Zn1 109.56(17) . .
C18 O4 H4 109.5 . .
C29 O5 H5 109.5 . .
C33 O7 Zn1 118.1(2) . 1_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O7 1.947(2) 1_554
Zn1 O1 1.953(2) .
Zn1 N4 2.031(2) .
Zn1 N1 2.041(2) .
N1 C2 1.323(3) .
N1 C1 1.328(4) .
N2 C1 1.313(5) .
N2 N3 1.349(4) .
N3 C2 1.317(4) .
N3 C3 1.470(4) .
N4 C10 1.325(3) .
N4 C9 1.371(4) .
N5 C9 1.314(4) .
N5 N6 1.365(3) .
N6 C10 1.327(3) .
N6 C11 1.473(3) .
C1 H1 0.9300 .
C2 H2 0.9300 .
C3 C4 1.517(4) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.402(4) .
C4 C7 1.404(4) 2_776
C5 C7 1.400(4) .
C5 C6 1.513(4) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C4 1.404(4) 2_776
C7 C8 1.510(4) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.514(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C14 1.398(4) 2_655
C12 C13 1.405(4) .
C13 C14 1.409(4) .
C13 C16 1.506(4) .
C14 C12 1.398(4) 2_655
C14 C15 1.518(4) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 O2 1.232(3) .
C17 O1 1.272(3) .
C17 C20 1.509(4) .
C18 O3 1.219(3) .
C18 O4 1.317(3) .
C18 C19 1.483(4) .
C19 C24 1.396(3) .
C19 C20 1.403(4) .
C20 C21 1.392(4) .
C21 C22 1.383(4) .
C21 H21 0.9300 .
C22 C23 1.395(4) .
C22 H22 0.9300 .
C23 C24 1.383(4) .
C23 C25 1.504(3) .
C24 H24 0.9300 .
C25 O9 1.219(3) .
C25 C26 1.494(3) .
C26 C27 1.380(4) .
C26 C32 1.398(4) .
C27 C28 1.405(4) .
C27 H27 0.9300 .
C28 C30 1.401(4) .
C28 C29 1.467(4) .
C29 O6 1.227(4) .
C29 O5 1.304(4) .
C30 C31 1.385(4) .
C30 C33 1.521(4) .
C31 C32 1.380(4) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 O8 1.209(4) .
C33 O7 1.261(4) .
O4 H4 0.8200 .
O5 H5 0.8200 .
O7 Zn1 1.947(2) 1_556
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O4 H4 O3 0.82 1.87 2.684(3) 173.6 2_676
O5 H5 O6 0.82 1.84 2.609(4) 156.0 2_667
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
O7 Zn1 N1 C2 161.4(3) 1_554 .
O1 Zn1 N1 C2 48.1(3) . .
N4 Zn1 N1 C2 -84.6(3) . .
O7 Zn1 N1 C1 -26.8(3) 1_554 .
O1 Zn1 N1 C1 -140.2(3) . .
N4 Zn1 N1 C1 87.2(3) . .
C1 N2 N3 C2 -2.0(4) . .
C1 N2 N3 C3 -177.9(3) . .
O7 Zn1 N4 C10 -31.4(3) 1_554 .
O1 Zn1 N4 C10 100.3(3) . .
N1 Zn1 N4 C10 -134.2(2) . .
O7 Zn1 N4 C9 137.5(2) 1_554 .
O1 Zn1 N4 C9 -90.7(2) . .
N1 Zn1 N4 C9 34.7(2) . .
C9 N5 N6 C10 -0.3(3) . .
C9 N5 N6 C11 -174.0(2) . .
N3 N2 C1 N1 1.6(5) . .
C2 N1 C1 N2 -0.5(5) . .
Zn1 N1 C1 N2 -174.4(3) . .
N2 N3 C2 N1 1.9(4) . .
C3 N3 C2 N1 177.3(3) . .
C1 N1 C2 N3 -0.8(4) . .
Zn1 N1 C2 N3 172.1(2) . .
C2 N3 C3 C4 -101.0(3) . .
N2 N3 C3 C4 73.9(4) . .
N3 C3 C4 C5 -91.2(3) . .
N3 C3 C4 C7 87.0(3) . 2_776
C7 C4 C5 C7 -0.3(4) 2_776 .
C3 C4 C5 C7 177.9(2) . .
C7 C4 C5 C6 179.5(3) 2_776 .
C3 C4 C5 C6 -2.3(4) . .
C4 C5 C7 C4 0.3(4) . 2_776
C6 C5 C7 C4 -179.5(3) . 2_776
C4 C5 C7 C8 -179.7(3) . .
C6 C5 C7 C8 0.5(4) . .
N6 N5 C9 N4 0.3(3) . .
C10 N4 C9 N5 -0.1(3) . .
Zn1 N4 C9 N5 -171.6(2) . .
C9 N4 C10 N6 -0.1(3) . .
Zn1 N4 C10 N6 170.57(18) . .
N5 N6 C10 N4 0.3(3) . .
C11 N6 C10 N4 173.3(2) . .
C10 N6 C11 C12 129.1(3) . .
N5 N6 C11 C12 -58.5(4) . .
N6 C11 C12 C14 -87.3(3) . 2_655
N6 C11 C12 C13 97.3(3) . .
C14 C12 C13 C14 -1.2(4) 2_655 .
C11 C12 C13 C14 174.1(2) . .
C14 C12 C13 C16 178.3(2) 2_655 .
C11 C12 C13 C16 -6.4(4) . .
C12 C13 C14 C12 1.1(4) . 2_655
C16 C13 C14 C12 -178.3(2) . 2_655
C12 C13 C14 C15 -177.6(3) . .
C16 C13 C14 C15 2.9(4) . .
O3 C18 C19 C24 160.0(3) . .
O4 C18 C19 C24 -17.2(4) . .
O3 C18 C19 C20 -14.7(4) . .
O4 C18 C19 C20 168.0(2) . .
C24 C19 C20 C21 0.7(4) . .
C18 C19 C20 C21 175.5(2) . .
C24 C19 C20 C17 -176.7(2) . .
C18 C19 C20 C17 -1.9(4) . .
O2 C17 C20 C21 -70.0(3) . .
O1 C17 C20 C21 108.0(3) . .
O2 C17 C20 C19 107.4(3) . .
O1 C17 C20 C19 -74.6(3) . .
C19 C20 C21 C22 -4.6(4) . .
C17 C20 C21 C22 173.0(3) . .
C20 C21 C22 C23 3.2(4) . .
C21 C22 C23 C24 2.0(4) . .
C21 C22 C23 C25 -177.3(2) . .
C22 C23 C24 C19 -5.8(4) . .
C25 C23 C24 C19 173.5(2) . .
C20 C19 C24 C23 4.4(4) . .
C18 C19 C24 C23 -170.4(2) . .
C24 C23 C25 O9 43.2(4) . .
C22 C23 C25 O9 -137.6(3) . .
C24 C23 C25 C26 -136.4(2) . .
C22 C23 C25 C26 42.8(3) . .
O9 C25 C26 C27 -154.4(3) . .
C23 C25 C26 C27 25.2(4) . .
O9 C25 C26 C32 24.9(4) . .
C23 C25 C26 C32 -155.5(2) . .
C32 C26 C27 C28 1.3(4) . .
C25 C26 C27 C28 -179.4(2) . .
C26 C27 C28 C30 0.9(4) . .
C26 C27 C28 C29 -177.8(3) . .
C30 C28 C29 O6 12.9(5) . .
C27 C28 C29 O6 -168.4(3) . .
C30 C28 C29 O5 -166.5(3) . .
C27 C28 C29 O5 12.1(4) . .
C27 C28 C30 C31 -1.0(4) . .
C29 C28 C30 C31 177.6(3) . .
C27 C28 C30 C33 -177.0(3) . .
C29 C28 C30 C33 1.6(4) . .
C28 C30 C31 C32 -1.0(4) . .
C33 C30 C31 C32 175.1(3) . .
C30 C31 C32 C26 3.3(4) . .
C27 C26 C32 C31 -3.4(4) . .
C25 C26 C32 C31 177.3(3) . .
C31 C30 C33 O8 77.4(4) . .
C28 C30 C33 O8 -106.6(4) . .
C31 C30 C33 O7 -101.9(3) . .
C28 C30 C33 O7 74.1(4) . .
O2 C17 O1 Zn1 -16.5(4) . .
C20 C17 O1 Zn1 165.66(18) . .
O7 Zn1 O1 C17 -158.36(18) 1_554 .
N4 Zn1 O1 C17 67.8(2) . .
N1 Zn1 O1 C17 -49.8(2) . .
O8 C33 O7 Zn1 4.9(5) . 1_556
C30 C33 O7 Zn1 -175.84(19) . 1_556
