#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:13:36 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180382 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/51/7205187.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_7205187
loop_
_publ_author_name
'Jiang, Kai'
'Ma, Lu-Fang'
'Sun, Xiao-Yuan'
'Wang, Li-Ya'
_publ_section_title
;
 Syntheses, structures and luminescent properties of zinc(ii)
 coordination polymers based on bis(imidazole) and dicarboxylate
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              330
_journal_paper_doi               10.1039/c0ce00190b
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C21 H24 N4 O5 Zn'
_chemical_formula_weight         477.81
_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                94.8700(10)
_cell_angle_beta                 100.6930(10)
_cell_angle_gamma                105.2020(10)
_cell_formula_units_Z            2
_cell_length_a                   9.7754(10)
_cell_length_b                   10.1743(11)
_cell_length_c                   11.4600(12)
_cell_measurement_reflns_used    3375
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     1070.03(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0175
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8191
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.58
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.188
_exptl_absorpt_correction_T_max  0.8513
_exptl_absorpt_correction_T_min  0.7717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             496
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.470
_refine_diff_density_min         -0.207
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         3951
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0300
_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)+(0.0412P)²+0.3994P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0791
_reflns_number_gt                3465
_reflns_number_total             3951
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00190B.TXT
_cod_data_source_block           a_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_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7205187
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
C20 C -0.1944(5) 0.0355(7) -0.0204(6) 0.060(2) Uani 0.581(5) 1 d PD A 1
H20A H -0.1755 -0.0467 0.0078 0.072 Uiso 0.581(5) 1 calc PR A 1
H20B H -0.2015 0.0263 -0.1064 0.072 Uiso 0.581(5) 1 calc PR A 1
C21 C -0.3398(5) 0.0508(6) 0.0084(8) 0.100(3) Uani 0.581(5) 1 d PD A 1
H21A H -0.3266 0.0805 0.0934 0.120 Uiso 0.581(5) 1 calc PR A 1
H21B H -0.3710 0.1190 -0.0356 0.120 Uiso 0.581(5) 1 calc PR A 1
C22 C -0.4511(5) -0.0861(6) -0.0278(6) 0.088(2) Uani 0.581(5) 1 d PD A 1
H22A H -0.4455 -0.1252 -0.1054 0.132 Uiso 0.581(5) 1 d PR A 1
H22C H -0.4314 -0.1454 0.0300 0.132 Uiso 0.581(5) 1 d PR A 1
C20' C -0.1851(7) 0.0204(8) 0.0055(10) 0.055(3) Uani 0.419(5) 1 d PD A 2
H20C H -0.2008 -0.0053 -0.0804 0.066 Uiso 0.419(5) 1 calc PR A 2
H20D H -0.1440 -0.0463 0.0439 0.066 Uiso 0.419(5) 1 calc PR A 2
C21' C -0.3250(6) 0.0076(7) 0.0351(7) 0.060(2) Uani 0.419(5) 1 d PD A 2
H21C H -0.3108 0.0234 0.1217 0.072 Uiso 0.419(5) 1 calc PR A 2
H21D H -0.3847 -0.0864 0.0082 0.072 Uiso 0.419(5) 1 calc PR A 2
C22' C -0.4056(7) 0.0999(7) -0.0154(6) 0.069(2) Uani 0.419(5) 1 d PD A 2
H22D H -0.3552 0.1929 0.0203 0.103 Uiso 0.419(5) 1 d PR A 2
H22F H -0.4109 0.0915 -0.1003 0.103 Uiso 0.419(5) 1 d PR A 2
Zn1 Zn 0.26144(2) 0.38685(2) 0.31687(2) 0.03287(7) Uani 1 1 d . . .
O1 O 0.40523(15) 0.27758(13) 0.32978(13) 0.0400(4) Uani 1 1 d . . .
O2 O 0.20852(15) 0.12046(14) 0.34898(14) 0.0446(4) Uani 1 1 d . . .
O3 O 0.19368(15) -0.36899(14) 0.25855(14) 0.0448(4) Uani 1 1 d . . .
O4 O 0.39554(15) -0.42865(13) 0.31872(14) 0.0400(4) Uani 1 1 d . . .
O5 O 0.78895(16) 0.03203(15) 0.36435(16) 0.0515(4) Uani 1 1 d . . .
N1 N 0.19330(18) 0.41149(16) 0.46905(15) 0.0361(4) Uani 1 1 d . . .
N2 N 0.2099(2) 0.4872(2) 0.65756(17) 0.0488(5) Uani 1 1 d . . .
N3 N 0.1039(2) 0.30737(18) 0.16813(16) 0.0429(4) Uani 1 1 d . A .
N4 N -0.0744(2) 0.1575(2) 0.03899(17) 0.0506(5) Uani 1 1 d D . .
C1 C 0.4202(2) 0.04900(18) 0.34418(16) 0.0303(4) Uani 1 1 d . . .
C2 C 0.3424(2) -0.08917(18) 0.32689(17) 0.0310(4) Uani 1 1 d . . .
H2 H 0.2421 -0.1142 0.3183 0.037 Uiso 1 1 calc R . .
C3 C 0.4141(2) -0.19008(18) 0.32246(16) 0.0290(4) Uani 1 1 d . . .
C4 C 0.5645(2) -0.15345(19) 0.33763(18) 0.0340(4) Uani 1 1 d . . .
H4 H 0.6129 -0.2209 0.3372 0.041 Uiso 1 1 calc R . .
C5 C 0.6419(2) -0.0148(2) 0.35356(18) 0.0347(5) Uani 1 1 d . . .
C6 C 0.5692(2) 0.08542(19) 0.35674(18) 0.0350(5) Uani 1 1 d . . .
H6 H 0.6213 0.1779 0.3674 0.042 Uiso 1 1 calc R . .
C7 C 0.3372(2) 0.15540(19) 0.34221(17) 0.0334(5) Uani 1 1 d . . .
C8 C 0.3263(2) -0.33955(19) 0.29763(17) 0.0317(4) Uani 1 1 d . . .
C9 C 0.8662(2) -0.0684(2) 0.3642(3) 0.0551(7) Uani 1 1 d . . .
H9A H 0.8500 -0.1214 0.4283 0.083 Uiso 1 1 calc R . .
H9B H 0.9681 -0.0234 0.3752 0.083 Uiso 1 1 calc R . .
H9C H 0.8328 -0.1281 0.2890 0.083 Uiso 1 1 calc R . .
C10 C 0.2777(2) 0.4923(2) 0.56574(19) 0.0430(5) Uani 1 1 d . . .
H10 H 0.3720 0.5459 0.5698 0.052 Uiso 1 1 calc R . .
C11 C 0.0651(2) 0.3518(2) 0.5016(2) 0.0460(6) Uani 1 1 d . . .
H11 H -0.0157 0.2894 0.4513 0.055 Uiso 1 1 calc R . .
C12 C 0.0745(3) 0.3976(3) 0.6172(2) 0.0516(6) Uani 1 1 d . . .
H12 H 0.0029 0.3731 0.6610 0.062 Uiso 1 1 calc R . .
C13 C 0.2794(3) 0.5543(3) 0.7806(2) 0.0652(7) Uani 1 1 d . . .
H13A H 0.2065 0.5741 0.8206 0.078 Uiso 1 1 calc R . .
H13B H 0.3494 0.6410 0.7783 0.078 Uiso 1 1 calc R . .
C14 C 0.3553(3) 0.4654(3) 0.8513(2) 0.0637(7) Uani 1 1 d . . .
H14A H 0.4099 0.4269 0.8020 0.076 Uiso 1 1 calc R . .
H14B H 0.2829 0.3895 0.8701 0.076 Uiso 1 1 calc R . .
C15 C 0.4575(3) 0.5432(3) 0.9670(2) 0.0717(8) Uani 1 1 d . . .
H15A H 0.4017 0.5754 1.0190 0.086 Uiso 1 1 calc R . .
H15B H 0.5251 0.6233 0.9489 0.086 Uiso 1 1 calc R . .
C17 C 0.0122(3) 0.1829(2) 0.1481(2) 0.0480(6) Uani 1 1 d . A .
H17 H 0.0083 0.1205 0.2031 0.058 Uiso 1 1 calc R . .
C18 C 0.0717(3) 0.3639(3) 0.0656(2) 0.0568(7) Uani 1 1 d . . .
H18 H 0.1179 0.4523 0.0533 0.068 Uiso 1 1 calc R A .
C19 C -0.0374(3) 0.2719(3) -0.0147(2) 0.0597(7) Uani 1 1 d . A .
H19 H -0.0788 0.2844 -0.0914 0.072 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 0.0033 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
N4 C20 C21 109.5(5) . . ?
N4 C20 H20A 109.8 . . ?
C21 C20 H20A 109.8 . . ?
N4 C20 H20B 109.8 . . ?
C21 C20 H20B 109.8 . . ?
H20A C20 H20B 108.2 . . ?
C22 C21 C20 108.0(5) . . ?
C22 C21 H21A 110.1 . . ?
C20 C21 H21A 110.1 . . ?
C22 C21 H21B 110.1 . . ?
C20 C21 H21B 110.1 . . ?
H21A C21 H21B 108.4 . . ?
C22 C21 H22D 131.1 . . ?
C20 C21 H22D 116.4 . . ?
H21A C21 H22D 73.3 . . ?
H21B C21 H22D 36.0 . . ?
C22 C21 H22F 86.8 . . ?
C20 C21 H22F 103.8 . . ?
H21A C21 H22F 134.2 . . ?
H21B C21 H22F 28.6 . . ?
H22D C21 H22F 64.3 . . ?
C21 C22 H22A 109.3 . . ?
C21 C22 H22C 108.7 . . ?
H22A C22 H22C 109.5 . . ?
C21' C20' N4 117.6(6) . . ?
C21' C20' H20C 107.9 . . ?
N4 C20' H20C 107.9 . . ?
C21' C20' H20D 107.9 . . ?
N4 C20' H20D 107.9 . . ?
H20C C20' H20D 107.2 . . ?
C20' C21' C22' 116.3(7) . . ?
C20' C21' H21C 108.2 . . ?
C22' C21' H21C 108.2 . . ?
C20' C21' H21D 108.2 . . ?
C22' C21' H21D 108.2 . . ?
H21C C21' H21D 107.4 . . ?
C21' C22' H22D 109.3 . . ?
C21' C22' H22F 108.4 . . ?
H22D C22' H22F 109.5 . . ?
O4 Zn1 N1 102.00(6) 1_565 . ?
O4 Zn1 O1 98.90(6) 1_565 . ?
N1 Zn1 O1 112.32(6) . . ?
O4 Zn1 N3 117.43(7) 1_565 . ?
N1 Zn1 N3 115.66(7) . . ?
O1 Zn1 N3 109.28(7) . . ?
C7 O1 Zn1 106.84(12) . . ?
C8 O4 Zn1 111.48(12) . 1_545 ?
C5 O5 C9 117.04(16) . . ?
C10 N1 C11 105.61(19) . . ?
C10 N1 Zn1 122.21(15) . . ?
C11 N1 Zn1 132.11(15) . . ?
C10 N2 C12 107.21(19) . . ?
C10 N2 C13 124.4(2) . . ?
C12 N2 C13 128.0(2) . . ?
C17 N3 C18 105.06(19) . . ?
C17 N3 Zn1 125.53(15) . . ?
C18 N3 Zn1 129.35(16) . . ?
C17 N4 C19 107.4(2) . . ?
C17 N4 C20 130.6(4) . . ?
C19 N4 C20 121.9(3) . . ?
C17 N4 C20' 117.0(5) . . ?
C19 N4 C20' 135.6(5) . . ?
C20 N4 C20' 13.7(6) . . ?
C6 C1 C2 119.63(18) . . ?
C6 C1 C7 121.85(17) . . ?
C2 C1 C7 118.44(17) . . ?
C1 C2 C3 120.13(18) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C2 C3 C4 120.27(17) . . ?
C2 C3 C8 119.06(17) . . ?
C4 C3 C8 120.65(17) . . ?
C3 C4 C5 119.37(18) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
O5 C5 C6 115.98(17) . . ?
O5 C5 C4 124.02(18) . . ?
C6 C5 C4 119.98(18) . . ?
C1 C6 C5 120.59(17) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
O2 C7 O1 123.56(18) . . ?
O2 C7 C1 119.33(17) . . ?
O1 C7 C1 117.07(18) . . ?
O3 C8 O4 123.93(17) . . ?
O3 C8 C3 119.04(17) . . ?
O4 C8 C3 117.02(17) . . ?
O5 C9 H9A 109.5 . . ?
O5 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O5 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 N2 111.1(2) . . ?
N1 C10 H10 124.4 . . ?
N2 C10 H10 124.4 . . ?
C12 C11 N1 109.5(2) . . ?
C12 C11 H11 125.2 . . ?
N1 C11 H11 125.2 . . ?
C11 C12 N2 106.5(2) . . ?
C11 C12 H12 126.7 . . ?
N2 C12 H12 126.7 . . ?
N2 C13 C14 111.8(2) . . ?
N2 C13 H13A 109.3 . . ?
C14 C13 H13A 109.3 . . ?
N2 C13 H13B 109.3 . . ?
C14 C13 H13B 109.3 . . ?
H13A C13 H13B 107.9 . . ?
C13 C14 C15 113.0(2) . . ?
C13 C14 H14A 109.0 . . ?
C15 C14 H14A 109.0 . . ?
C13 C14 H14B 109.0 . . ?
C15 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C14 C15 C15 113.0(3) . 2_667 ?
C14 C15 H15A 109.0 . . ?
C15 C15 H15A 109.0 2_667 . ?
C14 C15 H15B 109.0 . . ?
C15 C15 H15B 109.0 2_667 . ?
H15A C15 H15B 107.8 . . ?
N3 C17 N4 111.6(2) . . ?
N3 C17 H17 124.2 . . ?
N4 C17 H17 124.2 . . ?
C19 C18 N3 109.8(2) . . ?
C19 C18 H18 125.1 . . ?
N3 C18 H18 125.1 . . ?
C18 C19 N4 106.2(2) . . ?
C18 C19 H19 126.9 . . ?
N4 C19 H19 126.9 . . ?
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
C20 N4 1.475(5) . ?
C20 C21 1.561(7) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.495(6) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22C 0.9600 . ?
C20' C21' 1.445(10) . ?
C20' N4 1.493(7) . ?
C20' H20C 0.9700 . ?
C20' H20D 0.9700 . ?
C21' C22' 1.466(7) . ?
C21' H21C 0.9700 . ?
C21' H21D 0.9700 . ?
C22' H22D 0.9600 . ?
C22' H22F 0.9600 . ?
Zn1 O4 1.9837(13) 1_565 ?
Zn1 N1 1.9982(17) . ?
Zn1 O1 2.0009(14) . ?
Zn1 N3 2.0174(17) . ?
O1 C7 1.280(2) . ?
O2 C7 1.233(2) . ?
O3 C8 1.237(2) . ?
O4 C8 1.279(2) . ?
O4 Zn1 1.9837(13) 1_545 ?
O5 C5 1.369(2) . ?
O5 C9 1.421(3) . ?
N1 C10 1.317(3) . ?
N1 C11 1.375(3) . ?
N2 C10 1.341(3) . ?
N2 C12 1.365(3) . ?
N2 C13 1.468(3) . ?
N3 C17 1.319(3) . ?
N3 C18 1.373(3) . ?
N4 C17 1.336(3) . ?
N4 C19 1.360(3) . ?
C1 C6 1.382(3) . ?
C1 C2 1.389(3) . ?
C1 C7 1.513(3) . ?
C2 C3 1.390(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.391(3) . ?
C3 C8 1.511(2) . ?
C4 C5 1.394(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.389(3) . ?
C6 H6 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10 0.9300 . ?
C11 C12 1.345(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.510(4) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.516(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C15 1.517(6) 2_667 ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C17 H17 0.9300 . ?
C18 C19 1.352(3) . ?
C18 H18 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 C20 C21 C22 -166.8(5) . . . . ?
N4 C20' C21' C22' 58.1(11) . . . . ?
O4 Zn1 O1 C7 173.49(13) 1_565 . . . ?
N1 Zn1 O1 C7 66.53(14) . . . . ?
N3 Zn1 O1 C7 -63.23(14) . . . . ?
O4 Zn1 N1 C10 -33.71(17) 1_565 . . . ?
O1 Zn1 N1 C10 71.25(17) . . . . ?
N3 Zn1 N1 C10 -162.36(16) . . . . ?
O4 Zn1 N1 C11 149.92(18) 1_565 . . . ?
O1 Zn1 N1 C11 -105.11(19) . . . . ?
N3 Zn1 N1 C11 21.3(2) . . . . ?
O4 Zn1 N3 C17 174.97(18) 1_565 . . . ?
N1 Zn1 N3 C17 -64.4(2) . . . . ?
O1 Zn1 N3 C17 63.5(2) . . . . ?
O4 Zn1 N3 C18 -1.7(2) 1_565 . . . ?
N1 Zn1 N3 C18 118.9(2) . . . . ?
O1 Zn1 N3 C18 -113.2(2) . . . . ?
C21 C20 N4 C17 89.3(6) . . . . ?
C21 C20 N4 C19 -88.3(6) . . . . ?
C21 C20 N4 C20' 93(2) . . . . ?
C21' C20' N4 C17 88.9(8) . . . . ?
C21' C20' N4 C19 -89.6(10) . . . . ?
C21' C20' N4 C20 -88(2) . . . . ?
C6 C1 C2 C3 0.1(3) . . . . ?
C7 C1 C2 C3 176.97(17) . . . . ?
C1 C2 C3 C4 1.3(3) . . . . ?
C1 C2 C3 C8 -177.09(17) . . . . ?
C2 C3 C4 C5 -2.0(3) . . . . ?
C8 C3 C4 C5 176.33(18) . . . . ?
C9 O5 C5 C6 178.6(2) . . . . ?
C9 O5 C5 C4 -2.8(3) . . . . ?
C3 C4 C5 O5 -177.23(19) . . . . ?
C3 C4 C5 C6 1.4(3) . . . . ?
C2 C1 C6 C5 -0.7(3) . . . . ?
C7 C1 C6 C5 -177.48(18) . . . . ?
O5 C5 C6 C1 178.69(18) . . . . ?
C4 C5 C6 C1 0.0(3) . . . . ?
Zn1 O1 C7 O2 -2.5(2) . . . . ?
Zn1 O1 C7 C1 175.30(13) . . . . ?
C6 C1 C7 O2 -169.17(19) . . . . ?
C2 C1 C7 O2 14.0(3) . . . . ?
C6 C1 C7 O1 12.9(3) . . . . ?
C2 C1 C7 O1 -163.91(18) . . . . ?
Zn1 O4 C8 O3 -13.0(3) 1_545 . . . ?
Zn1 O4 C8 C3 167.14(13) 1_545 . . . ?
C2 C3 C8 O3 14.3(3) . . . . ?
C4 C3 C8 O3 -164.06(19) . . . . ?
C2 C3 C8 O4 -165.81(18) . . . . ?
C4 C3 C8 O4 15.8(3) . . . . ?
C11 N1 C10 N2 -0.1(2) . . . . ?
Zn1 N1 C10 N2 -177.28(14) . . . . ?
C12 N2 C10 N1 0.2(3) . . . . ?
C13 N2 C10 N1 173.5(2) . . . . ?
C10 N1 C11 C12 0.0(2) . . . . ?
Zn1 N1 C11 C12 176.77(15) . . . . ?
N1 C11 C12 N2 0.1(3) . . . . ?
C10 N2 C12 C11 -0.2(3) . . . . ?
C13 N2 C12 C11 -173.2(2) . . . . ?
C10 N2 C13 C14 -85.4(3) . . . . ?
C12 N2 C13 C14 86.5(3) . . . . ?
N2 C13 C14 C15 166.1(2) . . . . ?
C13 C14 C15 C15 -175.5(3) . . . 2_667 ?
C18 N3 C17 N4 0.6(3) . . . . ?
Zn1 N3 C17 N4 -176.68(16) . . . . ?
C19 N4 C17 N3 -0.3(3) . . . . ?
C20 N4 C17 N3 -178.1(4) . . . . ?
C20' N4 C17 N3 -179.2(4) . . . . ?
C17 N3 C18 C19 -0.8(3) . . . . ?
Zn1 N3 C18 C19 176.38(18) . . . . ?
N3 C18 C19 N4 0.6(3) . . . . ?
C17 N4 C19 C18 -0.2(3) . . . . ?
C20 N4 C19 C18 177.8(3) . . . . ?
C20' N4 C19 C18 178.3(5) . . . . ?
