#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:13:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180382 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/51/7205196.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_7205196
loop_
_publ_author_name
'Hao, Yongjing'
'Wu, Biao'
'Li, Shaoguang'
'Jia, Chuandong'
'Huang, Xiaojuan'
'Yang, Xiao-Juan'
_publ_section_title
;
 Coordination polymers derived from a flexible bis(pyridylurea) ligand:
 conformational change of the ligand and structural diversity of the
 complexes
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              215
_journal_paper_doi               10.1039/c0ce00200c
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C19 H28 N6 O8 Zn'
_chemical_formula_weight         533.84
_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                104.330(4)
_cell_angle_beta                 102.140(4)
_cell_angle_gamma                110.924(3)
_cell_formula_units_Z            2
_cell_length_a                   10.447(2)
_cell_length_b                   10.755(3)
_cell_length_c                   12.474(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1197.3(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX II 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     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0635
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6647
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  0.7738
_exptl_absorpt_correction_T_min  0.7374
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.362
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4614
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0462
_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)+(0.0455P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.1042
_reflns_number_gt                3353
_reflns_number_total             4614
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00200C.TXT
_cod_data_source_block           ZnAcL
_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_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7205196
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn 0.55567(4) -0.05026(4) 0.71618(3) 0.03606(14) Uani 1 1 d . . .
O1 O 0.9697(3) 0.7018(2) 0.9579(2) 0.0507(6) Uani 1 1 d . . .
O2 O -0.1938(2) -0.3815(3) 0.62042(19) 0.0541(7) Uani 1 1 d . . .
O3 O 0.7517(3) -0.0534(3) 0.7141(3) 0.0709(8) Uani 1 1 d . . .
O4 O 0.6199(3) -0.0818(3) 0.5458(3) 0.0721(9) Uani 1 1 d . . .
O5 O 0.5735(2) -0.0534(2) 0.87954(19) 0.0428(6) Uani 1 1 d . . .
O6 O 0.5300(3) -0.2773(2) 0.7972(2) 0.0523(7) Uani 1 1 d . . .
O7 O 0.2434(4) 0.7753(4) 0.9354(3) 0.0650(9) Uani 1 1 d . . .
O8 O 0.8007(4) 0.4904(3) 0.2159(2) 0.0850(10) Uani 1 1 d . . .
H8A H 0.7791 0.4103 0.1713 0.127 Uiso 1 1 calc R . .
N1 N 0.6106(3) 0.1626(3) 0.7557(2) 0.0354(6) Uani 1 1 d . . .
N2 N 0.7313(3) 0.5980(2) 0.8396(2) 0.0363(6) Uani 1 1 d . . .
H2A H 0.6605 0.6192 0.8181 0.044 Uiso 1 1 calc R . .
N3 N 0.8773(3) 0.8302(3) 0.8769(2) 0.0461(8) Uani 1 1 d . . .
H3 H 0.8058 0.8268 0.8254 0.055 Uiso 1 1 calc R . .
N4 N 0.3397(3) -0.1596(3) 0.6290(2) 0.0326(6) Uani 1 1 d . . .
N5 N -0.1088(3) -0.3966(3) 0.4648(2) 0.0361(7) Uani 1 1 d . . .
H5A H -0.1360 -0.4309 0.3895 0.043 Uiso 1 1 calc R . .
N6 N -0.3528(3) -0.5076(3) 0.4382(2) 0.0349(6) Uani 1 1 d . . .
H6 H -0.3664 -0.5300 0.3643 0.042 Uiso 1 1 calc R . .
C1 C 0.7497(4) 0.2573(3) 0.8095(3) 0.0413(8) Uani 1 1 d . . .
H1 H 0.8183 0.2227 0.8268 0.050 Uiso 1 1 calc R . .
C2 C 0.7978(3) 0.4016(3) 0.8407(3) 0.0396(8) Uani 1 1 d . . .
H2 H 0.8959 0.4623 0.8780 0.047 Uiso 1 1 calc R . .
C3 C 0.6970(3) 0.4556(3) 0.8154(3) 0.0333(7) Uani 1 1 d . . .
C4 C 0.5526(3) 0.3581(3) 0.7605(3) 0.0385(8) Uani 1 1 d . . .
H4 H 0.4814 0.3896 0.7429 0.046 Uiso 1 1 calc R . .
C5 C 0.5149(3) 0.2154(3) 0.7323(3) 0.0390(8) Uani 1 1 d . . .
H5 H 0.4175 0.1522 0.6949 0.047 Uiso 1 1 calc R . .
C6 C 0.8686(4) 0.7109(3) 0.8953(3) 0.0370(8) Uani 1 1 d . . .
C7 C 1.0037(4) 0.9657(3) 0.9409(3) 0.0470(9) Uani 1 1 d . . .
H7A H 1.0081 1.0284 0.8962 0.056 Uiso 1 1 calc R . .
H7B H 1.0911 0.9509 0.9512 0.056 Uiso 1 1 calc R . .
C8 C 0.2779(3) -0.2193(3) 0.5119(3) 0.0372(8) Uani 1 1 d . . .
H8 H 0.3374 -0.2072 0.4657 0.045 Uiso 1 1 calc R . .
C9 C 0.1314(3) -0.2971(3) 0.4576(3) 0.0359(8) Uani 1 1 d . . .
H9 H 0.0940 -0.3368 0.3762 0.043 Uiso 1 1 calc R . .
C10 C 0.0378(3) -0.3176(3) 0.5226(3) 0.0318(7) Uani 1 1 d . . .
C11 C 0.1017(3) -0.2550(3) 0.6446(3) 0.0419(9) Uani 1 1 d . . .
H11 H 0.0448 -0.2643 0.6929 0.050 Uiso 1 1 calc R . .
C12 C 0.2491(3) -0.1802(4) 0.6913(3) 0.0410(8) Uani 1 1 d . . .
H12 H 0.2896 -0.1404 0.7726 0.049 Uiso 1 1 calc R . .
C13 C -0.2186(3) -0.4271(3) 0.5156(3) 0.0350(8) Uani 1 1 d . . .
C14 C -0.4753(3) -0.5571(3) 0.4794(3) 0.0359(8) Uani 1 1 d . . .
H14A H -0.4482 -0.5885 0.5435 0.043 Uiso 1 1 calc R . .
H14B H -0.5554 -0.6382 0.4165 0.043 Uiso 1 1 calc R . .
C15 C 0.7362(4) -0.0656(4) 0.6092(4) 0.0464(9) Uani 1 1 d . . .
C16 C 0.8567(5) -0.0614(5) 0.5624(5) 0.0842(15) Uani 1 1 d . . .
H16A H 0.8179 -0.1303 0.4845 0.126 Uiso 1 1 calc R . .
H16B H 0.9231 -0.0829 0.6119 0.126 Uiso 1 1 calc R . .
H16C H 0.9069 0.0318 0.5606 0.126 Uiso 1 1 calc R . .
C17 C 0.5608(3) -0.1729(4) 0.8851(3) 0.0389(8) Uani 1 1 d . . .
C18 C 0.5844(4) -0.1869(4) 1.0042(3) 0.0538(10) Uani 1 1 d . . .
H18A H 0.5072 -0.2721 0.9996 0.081 Uiso 1 1 calc R . .
H18B H 0.5856 -0.1060 1.0592 0.081 Uiso 1 1 calc R . .
H18C H 0.6755 -0.1914 1.0295 0.081 Uiso 1 1 calc R . .
C19 C 0.7870(7) 0.5753(6) 0.1512(5) 0.1072(19) Uani 1 1 d . . .
H19A H 0.8364 0.6734 0.2017 0.161 Uiso 1 1 calc R . .
H19B H 0.6861 0.5509 0.1166 0.161 Uiso 1 1 calc R . .
H19C H 0.8290 0.5605 0.0905 0.161 Uiso 1 1 calc R . .
H7C H 0.298(6) 0.847(6) 0.984(5) 0.13(3) Uiso 1 1 d . . .
H7D H 0.156(7) 0.739(6) 0.944(5) 0.13(2) Uiso 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
_geom_angle_publ_flag
O5 Zn N4 103.50(10) . . ?
O5 Zn N1 97.32(10) . . ?
N4 Zn N1 108.48(11) . . ?
O5 Zn O3 96.94(11) . . ?
N4 Zn O3 141.67(11) . . ?
N1 Zn O3 100.52(11) . . ?
O5 Zn O4 153.13(11) . . ?
N4 Zn O4 94.36(10) . . ?
N1 Zn O4 95.81(10) . . ?
O3 Zn O4 57.54(11) . . ?
O1 O1 C6 0(10) 1 . ?
O2 O2 C13 0(10) 1 . ?
C15 O3 Zn 97.9(3) . . ?
C15 O4 Zn 85.4(2) . . ?
C17 O5 Zn 111.8(2) . . ?
H7C O7 H7D 114(5) . . ?
C19 O8 H8A 109.5 . . ?
C5 N1 C1 116.4(3) . . ?
C5 N1 Zn 123.8(2) . . ?
C1 N1 Zn 119.8(2) . . ?
C3 N2 C6 126.8(3) . . ?
C3 N2 H2A 116.6 . . ?
C6 N2 H2A 116.6 . . ?
C6 N3 C7 122.2(3) . . ?
C6 N3 H3 118.9 . . ?
C7 N3 H3 118.9 . . ?
C12 N4 C8 116.1(3) . . ?
C12 N4 Zn 118.5(2) . . ?
C8 N4 Zn 125.4(2) . . ?
C10 N5 C13 126.8(3) . . ?
C10 N5 H5A 116.6 . . ?
C13 N5 H5A 116.6 . . ?
C13 N6 C14 119.9(3) . . ?
C13 N6 H6 120.0 . . ?
C14 N6 H6 120.0 . . ?
N1 C1 C2 124.5(3) . . ?
N1 C1 H1 117.8 . . ?
C2 C1 H1 117.8 . . ?
C1 C2 C3 118.7(3) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
N2 C3 C4 118.4(3) . . ?
N2 C3 C2 124.5(3) . . ?
C4 C3 C2 117.1(3) . . ?
C5 C4 C3 120.0(3) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
N1 C5 C4 123.4(3) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
O1 C6 O1 0.0(3) 1 . ?
O1 C6 N3 123.7(3) 1 . ?
O1 C6 N3 123.7(3) . . ?
O1 C6 N2 122.7(3) 1 . ?
O1 C6 N2 122.7(3) . . ?
N3 C6 N2 113.5(3) . . ?
N3 C7 C7 110.5(3) . 2_777 ?
N3 C7 H7A 109.5 . . ?
C7 C7 H7A 109.5 2_777 . ?
N3 C7 H7B 109.5 . . ?
C7 C7 H7B 109.5 2_777 . ?
H7A C7 H7B 108.1 . . ?
N4 C8 C9 123.0(3) . . ?
N4 C8 H8 118.5 . . ?
C9 C8 H8 118.5 . . ?
C8 C9 C10 120.7(3) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
N5 C10 C9 119.0(3) . . ?
N5 C10 C11 124.5(3) . . ?
C9 C10 C11 116.4(3) . . ?
C12 C11 C10 118.9(3) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
N4 C12 C11 124.9(3) . . ?
N4 C12 H12 117.5 . . ?
C11 C12 H12 117.5 . . ?
O2 C13 O2 0.0(2) 1 . ?
O2 C13 N6 123.2(3) 1 . ?
O2 C13 N6 123.2(3) . . ?
O2 C13 N5 122.5(3) 1 . ?
O2 C13 N5 122.5(3) . . ?
N6 C13 N5 114.3(3) . . ?
N6 C14 C14 112.5(3) . 2_446 ?
N6 C14 H14A 109.1 . . ?
C14 C14 H14A 109.1 2_446 . ?
N6 C14 H14B 109.1 . . ?
C14 C14 H14B 109.1 2_446 . ?
H14A C14 H14B 107.8 . . ?
O4 C15 O3 118.9(4) . . ?
O4 C15 C16 120.8(4) . . ?
O3 C15 C16 120.3(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O6 C17 O5 122.8(3) . . ?
O6 C17 C18 119.6(3) . . ?
O5 C17 C18 117.6(3) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O8 C19 H19A 109.5 . . ?
O8 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O8 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn O5 2.016(2) . ?
Zn N4 2.023(2) . ?
Zn N1 2.049(3) . ?
Zn O3 2.066(3) . ?
Zn O4 2.342(3) . ?
O1 O1 0.000(6) 1 ?
O1 C6 1.226(4) . ?
O2 O2 0.000(5) 1 ?
O2 C13 1.211(3) . ?
O3 C15 1.251(4) . ?
O4 C15 1.229(5) . ?
O5 C17 1.265(4) . ?
O6 C17 1.246(4) . ?
O7 H7C 0.77(6) . ?
O7 H7D 0.90(6) . ?
O8 C19 1.384(6) . ?
O8 H8A 0.8200 . ?
N1 C5 1.331(4) . ?
N1 C1 1.339(4) . ?
N2 C3 1.378(4) . ?
N2 C6 1.390(4) . ?
N2 H2A 0.8600 . ?
N3 C6 1.333(4) . ?
N3 C7 1.453(4) . ?
N3 H3 0.8600 . ?
N4 C12 1.340(4) . ?
N4 C8 1.344(4) . ?
N5 C10 1.375(4) . ?
N5 C13 1.402(4) . ?
N5 H5A 0.8600 . ?
N6 C13 1.341(4) . ?
N6 C14 1.453(4) . ?
N6 H6 0.8600 . ?
C1 C2 1.369(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.390(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.387(4) . ?
C4 C5 1.370(4) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 O1 1.226(4) 1 ?
C7 C7 1.509(6) 2_777 ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.367(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.390(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.399(4) . ?
C11 C12 1.365(4) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 O2 1.211(3) 1 ?
C14 C14 1.514(6) 2_446 ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.486(5) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.507(5) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
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
C12 H12 O7 0.93 2.49 3.206(5) 134.2 1_545
C11 H11 O2 0.93 2.21 2.807(4) 121.6 1
C2 H2 O1 0.93 2.28 2.864(4) 120.1 1
O8 H8A O7 0.82 2.01 2.822(4) 171.8 2_666
O7 H7D O1 0.90(6) 1.89(6) 2.777(4) 167(6) 1_455
O7 H7C O5 0.77(6) 2.16(6) 2.927(4) 172(6) 2_667
N6 H6 O6 0.86 2.29 2.948(3) 133.8 2_546
N5 H5A O8 0.86 1.98 2.844(4) 179.8 1_445
N3 H3 O6 0.86 2.60 3.227(4) 130.8 1_565
N3 H3 O3 0.86 2.23 2.954(4) 141.4 1_565
N2 H2A O6 0.86 2.06 2.899(4) 164.8 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O5 Zn O3 C15 173.9(2) . . . . ?
N4 Zn O3 C15 51.6(3) . . . . ?
N1 Zn O3 C15 -87.3(2) . . . . ?
O4 Zn O3 C15 2.9(2) . . . . ?
O5 Zn O4 C15 -23.1(3) . . . . ?
N4 Zn O4 C15 -155.0(2) . . . . ?
N1 Zn O4 C15 95.9(2) . . . . ?
O3 Zn O4 C15 -2.9(2) . . . . ?
N4 Zn O5 C17 76.4(2) . . . . ?
N1 Zn O5 C17 -172.6(2) . . . . ?
O3 Zn O5 C17 -71.0(2) . . . . ?
O4 Zn O5 C17 -53.9(3) . . . . ?
O5 Zn N1 C5 -103.3(3) . . . . ?
N4 Zn N1 C5 3.6(3) . . . . ?
O3 Zn N1 C5 158.2(3) . . . . ?
O4 Zn N1 C5 100.2(3) . . . . ?
O5 Zn N1 C1 75.9(2) . . . . ?
N4 Zn N1 C1 -177.2(2) . . . . ?
O3 Zn N1 C1 -22.6(3) . . . . ?
O4 Zn N1 C1 -80.6(2) . . . . ?
O5 Zn N4 C12 16.6(3) . . . . ?
N1 Zn N4 C12 -86.0(3) . . . . ?
O3 Zn N4 C12 136.9(2) . . . . ?
O4 Zn N4 C12 176.4(2) . . . . ?
O5 Zn N4 C8 -160.7(3) . . . . ?
N1 Zn N4 C8 96.7(3) . . . . ?
O3 Zn N4 C8 -40.5(3) . . . . ?
O4 Zn N4 C8 -1.0(3) . . . . ?
C5 N1 C1 C2 -0.2(5) . . . . ?
Zn N1 C1 C2 -179.4(3) . . . . ?
N1 C1 C2 C3 -0.1(5) . . . . ?
C6 N2 C3 C4 179.0(3) . . . . ?
C6 N2 C3 C2 -2.0(5) . . . . ?
C1 C2 C3 N2 -178.5(3) . . . . ?
C1 C2 C3 C4 0.5(5) . . . . ?
N2 C3 C4 C5 178.3(3) . . . . ?
C2 C3 C4 C5 -0.8(5) . . . . ?
C1 N1 C5 C4 -0.1(5) . . . . ?
Zn N1 C5 C4 179.1(2) . . . . ?
C3 C4 C5 N1 0.6(5) . . . . ?
O1 O1 C6 N3 0.0(9) 1 . . . ?
O1 O1 C6 N2 0.0(8) 1 . . . ?
C7 N3 C6 O1 -7.4(5) . . . 1 ?
C7 N3 C6 O1 -7.4(5) . . . . ?
C7 N3 C6 N2 170.4(3) . . . . ?
C3 N2 C6 O1 -20.9(5) . . . 1 ?
C3 N2 C6 O1 -20.9(5) . . . . ?
C3 N2 C6 N3 161.3(3) . . . . ?
C6 N3 C7 C7 -81.9(5) . . . 2_777 ?
C12 N4 C8 C9 -0.1(5) . . . . ?
Zn N4 C8 C9 177.3(2) . . . . ?
N4 C8 C9 C10 0.4(5) . . . . ?
C13 N5 C10 C9 -179.5(3) . . . . ?
C13 N5 C10 C11 0.8(5) . . . . ?
C8 C9 C10 N5 -179.9(3) . . . . ?
C8 C9 C10 C11 -0.1(5) . . . . ?
N5 C10 C11 C12 179.3(3) . . . . ?
C9 C10 C11 C12 -0.4(5) . . . . ?
C8 N4 C12 C11 -0.5(5) . . . . ?
Zn N4 C12 C11 -178.1(3) . . . . ?
C10 C11 C12 N4 0.8(6) . . . . ?
O2 O2 C13 N6 0.0(3) 1 . . . ?
O2 O2 C13 N5 0.0(4) 1 . . . ?
C14 N6 C13 O2 -6.8(5) . . . 1 ?
C14 N6 C13 O2 -6.8(5) . . . . ?
C14 N6 C13 N5 174.8(3) . . . . ?
C10 N5 C13 O2 2.0(5) . . . 1 ?
C10 N5 C13 O2 2.0(5) . . . . ?
C10 N5 C13 N6 -179.7(3) . . . . ?
C13 N6 C14 C14 78.8(5) . . . 2_446 ?
Zn O4 C15 O3 4.7(3) . . . . ?
Zn O4 C15 C16 -175.7(3) . . . . ?
Zn O3 C15 O4 -5.3(4) . . . . ?
Zn O3 C15 C16 175.0(3) . . . . ?
Zn O5 C17 O6 -5.0(4) . . . . ?
Zn O5 C17 C18 174.9(2) . . . . ?
