#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/32/4503278.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_4503278
loop_
_publ_author_name
'Li, Shun-Li'
'Lan, Ya-Qian'
'Ma, Jian-Fang'
'Yang, Jin'
'Wei, Guo-Hua'
'Zhang, Lai-Ping'
'Su, Zhong-Min'
_publ_section_title
;
 Structures and Luminescent Properties of Seven Coordination Polymers of
 Zinc(II) and Cadmium(II) with 3,3′,4,4′-Benzophenone
 Tetracarboxylate Anion and Bis(imidazole)
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              675
_journal_paper_doi               10.1021/cg7009385
_journal_volume                  8
_journal_year                    2008
_chemical_formula_sum            'C41 H36 N6 O14 Zn2'
_chemical_formula_weight         967.50
_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                93.972(2)
_cell_angle_beta                 100.465(2)
_cell_angle_gamma                95.312(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2800(13)
_cell_length_b                   13.6270(18)
_cell_length_c                   14.6140(19)
_cell_measurement_reflns_used    10236
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.43
_cell_measurement_theta_min      2.63
_cell_volume                     1996.7(4)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.868
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0957
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11884
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.43
_diffrn_reflns_theta_min         2.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.281
_exptl_absorpt_correction_T_max  0.631
_exptl_absorpt_correction_T_min  0.590
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.36
_refine_diff_density_max         1.297
_refine_diff_density_min         -0.631
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.895
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         8729
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.895
_refine_ls_R_factor_all          0.0935
_refine_ls_R_factor_gt           0.0583
_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)+(0.0934P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1531
_refine_ls_wR_factor_ref         0.1631
_reflns_number_gt                4767
_reflns_number_total             8729
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg7009385-file001.cif
_cod_data_source_block           5
_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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4503278
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 0.30781(5) 0.19328(3) 0.00090(3) 0.04298(16) Uani 1 1 d .
Zn2 Zn 0.55972(6) 0.55494(3) 0.22969(4) 0.05339(18) Uani 1 1 d .
C1 C 0.7686(5) 0.5549(3) 0.4183(4) 0.0646(14) Uani 1 1 d .
H1 H 0.8161 0.6050 0.3942 0.078 Uiso 1 1 calc R
C2 C 0.8202(5) 0.5285(4) 0.5047(4) 0.0680(14) Uani 1 1 d .
H2 H 0.9019 0.5582 0.5377 0.082 Uiso 1 1 calc R
C3 C 0.7482(5) 0.4572(4) 0.5412(4) 0.0647(13) Uani 1 1 d .
H3 H 0.7794 0.4389 0.6006 0.078 Uiso 1 1 calc R
C4 C 0.6304(5) 0.4129(3) 0.4905(3) 0.0532(11) Uani 1 1 d .
H4 H 0.5813 0.3638 0.5149 0.064 Uiso 1 1 calc R
C5 C 0.5843(4) 0.4415(3) 0.4024(3) 0.0426(10) Uani 1 1 d .
C6 C 0.4599(4) 0.4059(3) 0.3392(3) 0.0415(9) Uani 1 1 d .
C7 C 0.2994(5) 0.4045(3) 0.2200(3) 0.0612(13) Uani 1 1 d .
H7 H 0.2485 0.4215 0.1652 0.073 Uiso 1 1 calc R
C8 C 0.2648(5) 0.3303(3) 0.2704(3) 0.0566(12) Uani 1 1 d .
H8 H 0.1870 0.2871 0.2565 0.068 Uiso 1 1 calc R
C9 C 0.3752(5) 0.2590(3) 0.4170(3) 0.0506(11) Uani 1 1 d .
H9A H 0.3735 0.2934 0.4771 0.061 Uiso 1 1 calc R
H9B H 0.4596 0.2316 0.4215 0.061 Uiso 1 1 calc R
C10 C 0.0267(5) 0.2386(4) 0.0206(3) 0.0607(13) Uani 1 1 d .
H10 H 0.0461 0.2937 -0.0107 0.073 Uiso 1 1 calc R
C11 C -0.0985(5) 0.2224(4) 0.0423(4) 0.0672(14) Uani 1 1 d .
H11 H -0.1620 0.2658 0.0267 0.081 Uiso 1 1 calc R
C12 C -0.1265(5) 0.1397(4) 0.0881(3) 0.0602(12) Uani 1 1 d .
H12 H -0.2100 0.1266 0.1033 0.072 Uiso 1 1 calc R
C13 C -0.0315(4) 0.0775(3) 0.1109(3) 0.0496(11) Uani 1 1 d .
H13 H -0.0496 0.0216 0.1414 0.059 Uiso 1 1 calc R
C14 C 0.0938(4) 0.0989(3) 0.0878(3) 0.0388(9) Uani 1 1 d .
C15 C 0.2019(4) 0.0382(3) 0.1036(3) 0.0425(9) Uani 1 1 d .
C16 C 0.3871(5) -0.0162(4) 0.0872(4) 0.0599(12) Uani 1 1 d .
H16 H 0.4662 -0.0239 0.0666 0.072 Uiso 1 1 calc R
C17 C 0.3414(5) -0.0686(4) 0.1510(4) 0.0601(12) Uani 1 1 d .
H17 H 0.3820 -0.1183 0.1821 0.072 Uiso 1 1 calc R
C18 C 0.1552(5) -0.0620(3) 0.2369(3) 0.0526(11) Uani 1 1 d .
H18A H 0.1948 -0.1169 0.2658 0.063 Uiso 1 1 calc R
H18B H 0.0627 -0.0841 0.2108 0.063 Uiso 1 1 calc R
C19 C 0.1618(4) 0.0214(3) 0.3102(3) 0.0452(10) Uani 1 1 d .
C20 C 0.0640(4) 0.0212(4) 0.3676(3) 0.0542(12) Uani 1 1 d .
H20 H -0.0037 -0.0307 0.3584 0.065 Uiso 1 1 calc R
C21 C 0.0670(5) 0.0937(4) 0.4345(3) 0.0580(12) Uani 1 1 d .
H21 H 0.0025 0.0911 0.4717 0.070 Uiso 1 1 calc R
C22 C 0.1651(5) 0.1726(3) 0.4490(3) 0.0538(11) Uani 1 1 d .
H22 H 0.1650 0.2238 0.4945 0.065 Uiso 1 1 calc R
C23 C 0.2635(4) 0.1753(3) 0.3957(3) 0.0444(10) Uani 1 1 d .
C24 C 0.2605(4) 0.0998(3) 0.3269(3) 0.0462(10) Uani 1 1 d .
H24 H 0.3266 0.1018 0.2910 0.055 Uiso 1 1 calc R
C25 C 0.7137(5) 0.8628(3) 0.1805(3) 0.0414(9) Uani 1 1 d .
C26 C 0.5610(5) 0.7444(3) 0.3035(3) 0.0470(10) Uani 1 1 d .
C27 C 0.6797(4) 0.9063(3) 0.2697(2) 0.0325(8) Uani 1 1 d .
C28 C 0.6051(4) 0.8539(3) 0.3244(3) 0.0362(9) Uani 1 1 d .
C29 C 0.5757(5) 0.9024(3) 0.4037(3) 0.0468(10) Uani 1 1 d .
H29 H 0.5251 0.8675 0.4398 0.056 Uiso 1 1 calc R
C30 C 0.6185(5) 0.9994(3) 0.4301(3) 0.0489(11) Uani 1 1 d .
H30 H 0.5990 1.0298 0.4842 0.059 Uiso 1 1 calc R
C31 C 0.6929(4) 1.0535(3) 0.3747(3) 0.0388(9) Uani 1 1 d .
C32 C 0.7207(4) 1.0055(3) 0.2950(3) 0.0372(9) Uani 1 1 d .
H32 H 0.7683 1.0409 0.2575 0.045 Uiso 1 1 calc R
C33 C 0.7421(4) 1.1580(3) 0.4071(3) 0.0443(10) Uani 1 1 d .
C34 C 0.7560(4) 1.2299(3) 0.3355(3) 0.0402(9) Uani 1 1 d .
C35 C 0.8606(5) 1.3040(3) 0.3519(3) 0.0554(11) Uani 1 1 d .
H35 H 0.9260 1.3060 0.4052 0.066 Uiso 1 1 calc R
C36 C 0.8689(5) 1.3743(3) 0.2905(3) 0.0534(11) Uani 1 1 d .
H36 H 0.9425 1.4216 0.3006 0.064 Uiso 1 1 calc R
C37 C 0.7687(4) 1.3760(3) 0.2133(3) 0.0426(10) Uani 1 1 d .
C38 C 0.6636(4) 1.3015(3) 0.1952(3) 0.0396(9) Uani 1 1 d .
C39 C 0.6595(4) 1.2278(3) 0.2562(3) 0.0398(9) Uani 1 1 d .
H39 H 0.5908 1.1764 0.2433 0.048 Uiso 1 1 calc R
C40 C 0.5545(5) 1.2967(3) 0.1102(3) 0.0500(11) Uani 1 1 d .
C41 C 0.7799(5) 1.4627(3) 0.1544(3) 0.0541(12) Uani 1 1 d .
N1 N 0.3018(3) 0.0496(3) 0.0571(2) 0.0466(8) Uani 1 1 d .
N2 N 0.1204(4) 0.1788(3) 0.0425(2) 0.0449(8) Uani 1 1 d .
N3 N 0.2233(4) -0.0349(2) 0.1616(2) 0.0457(8) Uani 1 1 d .
N4 N 0.6549(4) 0.5134(2) 0.3665(3) 0.0510(9) Uani 1 1 d .
N5 N 0.4214(4) 0.4508(2) 0.2624(2) 0.0503(9) Uani 1 1 d .
N6 N 0.3659(3) 0.3305(2) 0.3458(2) 0.0419(8) Uani 1 1 d .
O1 O 0.7687(4) 1.1854(2) 0.4890(2) 0.0729(10) Uani 1 1 d .
O2 O 0.8305(4) 0.8551(3) 0.1763(3) 0.0849(13) Uani 1 1 d .
O1W O 0.2888(4) 0.3453(2) -0.0214(2) 0.0640(9) Uani 1 1 d .
O3 O 0.6201(4) 0.8433(2) 0.1124(2) 0.0605(8) Uani 1 1 d .
O2W O 0.4151(5) 0.5783(4) 0.1113(3) 0.1044(15) Uani 1 1 d .
O4 O 0.4566(3) 1.2351(3) 0.1071(2) 0.0653(9) Uani 1 1 d .
O3W O 0.1198(9) 0.5522(7) 0.0804(6) 0.206(4) Uani 1 1 d .
O5 O 0.5662(6) 1.3526(4) 0.0516(3) 0.144(3) Uani 1 1 d .
O4W O 0.0308(9) 0.2661(7) 0.6392(8) 0.241(5) Uani 1 1 d .
O6 O 0.6270(4) 0.6961(2) 0.2573(2) 0.0656(9) Uani 1 1 d .
O5W O 0.1985(10) 0.6895(10) 0.2528(13) 0.335(8) Uani 1 1 d .
O7 O 0.4684(4) 0.7070(2) 0.3378(3) 0.0794(11) Uani 1 1 d .
O8 O 0.7078(4) 1.5293(2) 0.1618(2) 0.0675(10) Uani 1 1 d .
O9 O 0.8683(5) 1.4659(3) 0.1084(3) 0.0971(14) 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
O4 Zn1 O3 109.59(15) 1_545 2_665
O4 Zn1 N2 112.61(14) 1_545 .
O3 Zn1 N2 136.96(14) 2_665 .
O4 Zn1 O1W 89.62(14) 1_545 .
O3 Zn1 O1W 97.81(12) 2_665 .
N2 Zn1 O1W 90.62(13) . .
O4 Zn1 N1 85.85(14) 1_545 .
O3 Zn1 N1 98.30(13) 2_665 .
N2 Zn1 N1 76.93(13) . .
O1W Zn1 N1 163.87(12) . .
O6 Zn2 O8 91.66(14) . 1_545
O6 Zn2 N5 141.08(14) . .
O8 Zn2 N5 126.66(14) 1_545 .
O6 Zn2 O2W 94.39(18) . .
O8 Zn2 O2W 97.55(16) 1_545 .
N5 Zn2 O2W 87.61(15) . .
O6 Zn2 N4 94.20(14) . .
O8 Zn2 N4 97.19(14) 1_545 .
N5 Zn2 N4 76.31(14) . .
O2W Zn2 N4 162.69(14) . .
N4 C1 C2 124.1(4) . .
N4 C1 H1 118.0 . .
C2 C1 H1 118.0 . .
C3 C2 C1 117.9(5) . .
C3 C2 H2 121.1 . .
C1 C2 H2 121.1 . .
C4 C3 C2 120.0(5) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 119.5(4) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
N4 C5 C4 120.6(4) . .
N4 C5 C6 111.5(3) . .
C4 C5 C6 127.8(3) . .
N5 C6 N6 109.6(4) . .
N5 C6 C5 120.3(3) . .
N6 C6 C5 130.1(3) . .
C8 C7 N5 109.1(4) . .
C8 C7 H7 125.4 . .
N5 C7 H7 125.4 . .
C7 C8 N6 107.1(4) . .
C7 C8 H8 126.4 . .
N6 C8 H8 126.4 . .
N6 C9 C23 112.9(4) . .
N6 C9 H9A 109.0 . .
C23 C9 H9A 109.0 . .
N6 C9 H9B 109.0 . .
C23 C9 H9B 109.0 . .
H9A C9 H9B 107.8 . .
N2 C10 C11 122.7(4) . .
N2 C10 H10 118.6 . .
C11 C10 H10 118.6 . .
C10 C11 C12 118.1(5) . .
C10 C11 H11 121.0 . .
C12 C11 H11 121.0 . .
C13 C12 C11 119.9(4) . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C12 C13 C14 119.1(4) . .
C12 C13 H13 120.4 . .
C14 C13 H13 120.4 . .
N2 C14 C13 120.8(4) . .
N2 C14 C15 113.5(3) . .
C13 C14 C15 125.5(4) . .
N1 C15 N3 109.3(4) . .
N1 C15 C14 120.3(3) . .
N3 C15 C14 130.3(4) . .
C17 C16 N1 110.3(4) . .
C17 C16 H16 124.8 . .
N1 C16 H16 124.8 . .
C16 C17 N3 106.6(4) . .
C16 C17 H17 126.7 . .
N3 C17 H17 126.7 . .
N3 C18 C19 113.0(3) . .
N3 C18 H18A 109.0 . .
C19 C18 H18A 109.0 . .
N3 C18 H18B 109.0 . .
C19 C18 H18B 109.0 . .
H18A C18 H18B 107.8 . .
C24 C19 C20 117.0(4) . .
C24 C19 C18 123.3(4) . .
C20 C19 C18 119.7(4) . .
C21 C20 C19 121.6(4) . .
C21 C20 H20 119.2 . .
C19 C20 H20 119.2 . .
C20 C21 C22 120.6(4) . .
C20 C21 H21 119.7 . .
C22 C21 H21 119.7 . .
C21 C22 C23 119.9(4) . .
C21 C22 H22 120.1 . .
C23 C22 H22 120.1 . .
C24 C23 C22 119.3(4) . .
C24 C23 C9 121.6(4) . .
C22 C23 C9 119.0(4) . .
C19 C24 C23 121.6(4) . .
C19 C24 H24 119.2 . .
C23 C24 H24 119.2 . .
O2 C25 O3 123.7(4) . .
O2 C25 C27 119.4(4) . .
O3 C25 C27 116.7(4) . .
O6 C26 O7 123.7(4) . .
O6 C26 C28 116.8(4) . .
O7 C26 C28 119.3(4) . .
C32 C27 C28 119.1(3) . .
C32 C27 C25 116.9(3) . .
C28 C27 C25 123.9(3) . .
C29 C28 C27 119.0(3) . .
C29 C28 C26 118.6(3) . .
C27 C28 C26 122.3(3) . .
C30 C29 C28 122.1(3) . .
C30 C29 H29 119.0 . .
C28 C29 H29 119.0 . .
C29 C30 C31 119.4(4) . .
C29 C30 H30 120.3 . .
C31 C30 H30 120.3 . .
C32 C31 C30 118.5(3) . .
C32 C31 C33 123.4(3) . .
C30 C31 C33 118.1(3) . .
C27 C32 C31 121.9(3) . .
C27 C32 H32 119.1 . .
C31 C32 H32 119.1 . .
O1 C33 C31 121.1(4) . .
O1 C33 C34 120.3(4) . .
C31 C33 C34 118.6(3) . .
C39 C34 C35 119.1(4) . .
C39 C34 C33 120.6(3) . .
C35 C34 C33 120.1(4) . .
C36 C35 C34 120.7(4) . .
C36 C35 H35 119.7 . .
C34 C35 H35 119.7 . .
C35 C36 C37 120.6(4) . .
C35 C36 H36 119.7 . .
C37 C36 H36 119.7 . .
C36 C37 C38 119.4(4) . .
C36 C37 C41 116.8(4) . .
C38 C37 C41 123.8(4) . .
C37 C38 C39 119.3(4) . .
C37 C38 C40 122.0(3) . .
C39 C38 C40 118.7(3) . .
C34 C39 C38 120.8(4) . .
C34 C39 H39 119.6 . .
C38 C39 H39 119.6 . .
O5 C40 O4 124.6(5) . .
O5 C40 C38 118.9(4) . .
O4 C40 C38 116.6(4) . .
O9 C41 O8 124.2(4) . .
O9 C41 C37 117.2(4) . .
O8 C41 C37 118.4(4) . .
C15 N1 C16 106.5(3) . .
C15 N1 Zn1 110.2(3) . .
C16 N1 Zn1 138.5(3) . .
C10 N2 C14 119.3(4) . .
C10 N2 Zn1 124.2(3) . .
C14 N2 Zn1 116.3(3) . .
C15 N3 C17 107.2(3) . .
C15 N3 C18 129.1(4) . .
C17 N3 C18 122.5(4) . .
C1 N4 C5 117.9(4) . .
C1 N4 Zn2 126.7(3) . .
C5 N4 Zn2 115.3(3) . .
C6 N5 C7 107.0(3) . .
C6 N5 Zn2 116.0(3) . .
C7 N5 Zn2 136.5(3) . .
C6 N6 C8 107.1(3) . .
C6 N6 C9 126.4(4) . .
C8 N6 C9 126.4(3) . .
C25 O3 Zn1 109.4(3) . 2_665
C40 O4 Zn1 128.4(3) . 1_565
C26 O6 Zn2 114.3(3) . .
C41 O8 Zn2 136.8(3) . 1_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O4 1.981(3) 1_545
Zn1 O3 1.985(3) 2_665
Zn1 N2 2.119(3) .
Zn1 O1W 2.141(3) .
Zn1 N1 2.175(3) .
Zn2 O6 1.971(3) .
Zn2 O8 2.005(3) 1_545
Zn2 N5 2.057(3) .
Zn2 O2W 2.129(4) .
Zn2 N4 2.197(4) .
C1 N4 1.325(6) .
C1 C2 1.364(7) .
C1 H1 0.9300 .
C2 C3 1.363(6) .
C2 H2 0.9300 .
C3 C4 1.362(7) .
C3 H3 0.9300 .
C4 C5 1.383(6) .
C4 H4 0.9300 .
C5 N4 1.356(5) .
C5 C6 1.455(6) .
C6 N5 1.330(5) .
C6 N6 1.365(5) .
C7 C8 1.351(6) .
C7 N5 1.368(6) .
C7 H7 0.9300 .
C8 N6 1.370(6) .
C8 H8 0.9300 .
C9 N6 1.471(5) .
C9 C23 1.515(6) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N2 1.328(6) .
C10 C11 1.382(7) .
C10 H10 0.9300 .
C11 C12 1.383(7) .
C11 H11 0.9300 .
C12 C13 1.363(7) .
C12 H12 0.9300 .
C13 C14 1.400(6) .
C13 H13 0.9300 .
C14 N2 1.346(5) .
C14 C15 1.440(6) .
C15 N1 1.334(5) .
C15 N3 1.360(5) .
C16 C17 1.337(6) .
C16 N1 1.351(6) .
C16 H16 0.9300 .
C17 N3 1.368(6) .
C17 H17 0.9300 .
C18 N3 1.458(5) .
C18 C19 1.494(6) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C24 1.379(5) .
C19 C20 1.422(6) .
C20 C21 1.336(6) .
C20 H20 0.9300 .
C21 C22 1.381(6) .
C21 H21 0.9300 .
C22 C23 1.384(6) .
C22 H22 0.9300 .
C23 C24 1.383(6) .
C24 H24 0.9300 .
C25 O2 1.227(5) .
C25 O3 1.247(5) .
C25 C27 1.506(5) .
C26 O6 1.239(5) .
C26 O7 1.240(5) .
C26 C28 1.512(5) .
C27 C32 1.382(5) .
C27 C28 1.392(5) .
C28 C29 1.389(5) .
C29 C30 1.360(6) .
C29 H29 0.9300 .
C30 C31 1.409(5) .
C30 H30 0.9300 .
C31 C32 1.384(5) .
C31 C33 1.480(5) .
C32 H32 0.9300 .
C33 O1 1.204(5) .
C33 C34 1.498(5) .
C34 C39 1.379(6) .
C34 C35 1.380(6) .
C35 C36 1.365(6) .
C35 H35 0.9300 .
C36 C37 1.386(6) .
C36 H36 0.9300 .
C37 C38 1.387(5) .
C37 C41 1.517(6) .
C38 C39 1.392(5) .
C38 C40 1.508(6) .
C39 H39 0.9300 .
C40 O5 1.199(5) .
C40 O4 1.242(5) .
C41 O9 1.224(6) .
C41 O8 1.235(6) .
O3 Zn1 1.985(3) 2_665
O4 Zn1 1.981(3) 1_565
O8 Zn2 2.005(3) 1_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_1
_geom_torsion_site_symmetry_4
N4 C1 C2 C3 -2.1(8) . .
C1 C2 C3 C4 1.7(8) . .
C2 C3 C4 C5 -0.6(7) . .
C3 C4 C5 N4 -0.3(7) . .
C3 C4 C5 C6 -177.7(4) . .
N4 C5 C6 N5 -7.2(5) . .
C4 C5 C6 N5 170.4(4) . .
N4 C5 C6 N6 175.0(4) . .
C4 C5 C6 N6 -7.4(7) . .
N5 C7 C8 N6 0.5(6) . .
N2 C10 C11 C12 -0.6(8) . .
C10 C11 C12 C13 0.4(7) . .
C11 C12 C13 C14 0.3(7) . .
C12 C13 C14 N2 -0.9(6) . .
C12 C13 C14 C15 -177.1(4) . .
N2 C14 C15 N1 -15.2(5) . .
C13 C14 C15 N1 161.3(4) . .
N2 C14 C15 N3 165.0(4) . .
C13 C14 C15 N3 -18.5(7) . .
N1 C16 C17 N3 0.0(6) . .
N3 C18 C19 C24 -24.4(6) . .
N3 C18 C19 C20 156.7(4) . .
C24 C19 C20 C21 0.3(7) . .
C18 C19 C20 C21 179.3(4) . .
C19 C20 C21 C22 1.0(7) . .
C20 C21 C22 C23 -1.9(7) . .
C21 C22 C23 C24 1.5(7) . .
C21 C22 C23 C9 -176.0(4) . .
N6 C9 C23 C24 74.5(5) . .
N6 C9 C23 C22 -108.1(5) . .
C20 C19 C24 C23 -0.7(6) . .
C18 C19 C24 C23 -179.7(4) . .
C22 C23 C24 C19 -0.2(6) . .
C9 C23 C24 C19 177.3(4) . .
O2 C25 C27 C32 67.4(5) . .
O3 C25 C27 C32 -107.3(4) . .
O2 C25 C27 C28 -115.7(5) . .
O3 C25 C27 C28 69.5(5) . .
C32 C27 C28 C29 -1.0(6) . .
C25 C27 C28 C29 -177.7(4) . .
C32 C27 C28 C26 -177.7(4) . .
C25 C27 C28 C26 5.6(6) . .
O6 C26 C28 C29 -153.4(4) . .
O7 C26 C28 C29 21.8(6) . .
O6 C26 C28 C27 23.3(6) . .
O7 C26 C28 C27 -161.5(4) . .
C27 C28 C29 C30 -0.6(6) . .
C26 C28 C29 C30 176.2(4) . .
C28 C29 C30 C31 1.3(7) . .
C29 C30 C31 C32 -0.5(6) . .
C29 C30 C31 C33 -177.8(4) . .
C28 C27 C32 C31 1.9(6) . .
C25 C27 C32 C31 178.8(4) . .
C30 C31 C32 C27 -1.1(6) . .
C33 C31 C32 C27 176.1(4) . .
C32 C31 C33 O1 -147.2(5) . .
C30 C31 C33 O1 30.1(6) . .
C32 C31 C33 C34 34.1(6) . .
C30 C31 C33 C34 -148.7(4) . .
O1 C33 C34 C39 -137.1(5) . .
C31 C33 C34 C39 41.7(5) . .
O1 C33 C34 C35 37.9(6) . .
C31 C33 C34 C35 -143.3(4) . .
C39 C34 C35 C36 0.0(7) . .
C33 C34 C35 C36 -175.1(4) . .
C34 C35 C36 C37 3.6(7) . .
C35 C36 C37 C38 -4.3(6) . .
C35 C36 C37 C41 174.1(4) . .
C36 C37 C38 C39 1.5(6) . .
C41 C37 C38 C39 -176.9(4) . .
C36 C37 C38 C40 -177.4(4) . .
C41 C37 C38 C40 4.3(6) . .
C35 C34 C39 C38 -2.8(6) . .
C33 C34 C39 C38 172.2(4) . .
C37 C38 C39 C34 2.1(6) . .
C40 C38 C39 C34 -179.0(4) . .
C37 C38 C40 O5 8.1(7) . .
C39 C38 C40 O5 -170.8(5) . .
C37 C38 C40 O4 -170.7(4) . .
C39 C38 C40 O4 10.5(6) . .
C36 C37 C41 O9 70.1(6) . .
C38 C37 C41 O9 -111.5(5) . .
C36 C37 C41 O8 -103.9(5) . .
C38 C37 C41 O8 74.5(6) . .
N3 C15 N1 C16 -0.8(5) . .
C14 C15 N1 C16 179.4(4) . .
N3 C15 N1 Zn1 -161.0(3) . .
C14 C15 N1 Zn1 19.1(5) . .
C17 C16 N1 C15 0.5(5) . .
C17 C16 N1 Zn1 152.0(4) . .
O4 Zn1 N1 C15 101.7(3) 1_545 .
O3 Zn1 N1 C15 -149.0(3) 2_665 .
N2 Zn1 N1 C15 -12.6(3) . .
O1W Zn1 N1 C15 27.7(6) . .
O4 Zn1 N1 C16 -49.1(5) 1_545 .
O3 Zn1 N1 C16 60.2(5) 2_665 .
N2 Zn1 N1 C16 -163.4(5) . .
O1W Zn1 N1 C16 -123.1(6) . .
C11 C10 N2 C14 0.0(7) . .
C11 C10 N2 Zn1 174.5(4) . .
C13 C14 N2 C10 0.8(6) . .
C15 C14 N2 C10 177.4(4) . .
C13 C14 N2 Zn1 -174.2(3) . .
C15 C14 N2 Zn1 2.4(4) . .
O4 Zn1 N2 C10 110.9(4) 1_545 .
O3 Zn1 N2 C10 -81.1(4) 2_665 .
O1W Zn1 N2 C10 21.1(4) . .
N1 Zn1 N2 C10 -169.3(4) . .
O4 Zn1 N2 C14 -74.4(3) 1_545 .
O3 Zn1 N2 C14 93.6(3) 2_665 .
O1W Zn1 N2 C14 -164.2(3) . .
N1 Zn1 N2 C14 5.4(3) . .
N1 C15 N3 C17 0.7(5) . .
C14 C15 N3 C17 -179.5(4) . .
N1 C15 N3 C18 168.2(4) . .
C14 C15 N3 C18 -12.0(7) . .
C16 C17 N3 C15 -0.4(5) . .
C16 C17 N3 C18 -168.9(4) . .
C19 C18 N3 C15 -57.8(6) . .
C19 C18 N3 C17 108.0(5) . .
C2 C1 N4 C5 1.3(7) . .
C2 C1 N4 Zn2 177.1(4) . .
C4 C5 N4 C1 0.0(6) . .
C6 C5 N4 C1 177.8(4) . .
C4 C5 N4 Zn2 -176.3(3) . .
C6 C5 N4 Zn2 1.5(4) . .
O6 Zn2 N4 C1 -31.9(4) . .
O8 Zn2 N4 C1 60.3(4) 1_545 .
N5 Zn2 N4 C1 -173.6(4) . .
O2W Zn2 N4 C1 -151.4(6) . .
O6 Zn2 N4 C5 144.1(3) . .
O8 Zn2 N4 C5 -123.7(3) 1_545 .
N5 Zn2 N4 C5 2.4(3) . .
O2W Zn2 N4 C5 24.5(7) . .
N6 C6 N5 C7 1.1(5) . .
C5 C6 N5 C7 -177.1(4) . .
N6 C6 N5 Zn2 -172.2(3) . .
C5 C6 N5 Zn2 9.6(5) . .
C8 C7 N5 C6 -1.0(5) . .
C8 C7 N5 Zn2 170.3(3) . .
O6 Zn2 N5 C6 -85.7(4) . .
O8 Zn2 N5 C6 82.6(3) 1_545 .
O2W Zn2 N5 C6 -179.7(3) . .
N4 Zn2 N5 C6 -6.2(3) . .
O6 Zn2 N5 C7 103.6(5) . .
O8 Zn2 N5 C7 -88.1(5) 1_545 .
O2W Zn2 N5 C7 9.6(5) . .
N4 Zn2 N5 C7 -176.9(5) . .
N5 C6 N6 C8 -0.8(5) . .
C5 C6 N6 C8 177.2(4) . .
N5 C6 N6 C9 175.6(4) . .
C5 C6 N6 C9 -6.4(7) . .
C7 C8 N6 C6 0.2(5) . .
C7 C8 N6 C9 -176.3(4) . .
C23 C9 N6 C6 -171.0(4) . .
C23 C9 N6 C8 4.8(6) . .
O2 C25 O3 Zn1 -3.1(5) . 2_665
C27 C25 O3 Zn1 171.4(2) . 2_665
O5 C40 O4 Zn1 11.0(8) . 1_565
C38 C40 O4 Zn1 -170.3(3) . 1_565
O7 C26 O6 Zn2 6.9(6) . .
C28 C26 O6 Zn2 -178.2(3) . .
O8 Zn2 O6 C26 -179.0(3) 1_545 .
N5 Zn2 O6 C26 -8.3(5) . .
O2W Zn2 O6 C26 83.3(4) . .
N4 Zn2 O6 C26 -81.6(3) . .
O9 C41 O8 Zn2 -178.3(4) . 1_565
C37 C41 O8 Zn2 -4.7(8) . 1_565
