#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:39:36 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179121 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/83/4308351.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_4308351
loop_
_publ_author_name
'Bula Dutta'
'Pradip Bag'
'Ulrich Flörke'
'Kamalaksha Nag'
_publ_section_title
;
Dinuclear Zinc(II) Complexes of Tetraiminodiphenol Macrocycles and Their
Interactions with Carboxylate Anions and Amino Acids. Photoluminescence,
Equilibria, and Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              147
_journal_page_last               157
_journal_paper_doi               10.1021/ic049056a
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         '(C24 H30 N4 O4 Zn2)(Cl O4)2'
_chemical_formula_sum            'C24 H30 Cl2 N4 O12 Zn2'
_chemical_formula_weight         768.16
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.121(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.7023(5)
_cell_length_b                   12.3131(4)
_cell_length_c                   14.4857(5)
_cell_measurement_reflns_used    9319
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.21
_cell_volume                     2861.94(16)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2002)'
_computing_publication_material  'SHELXTL (Bruker, 2002)'
_computing_structure_refinement  'SHELXTL (Bruker, 2002)'
_computing_structure_solution    'SHELXTL (Bruker, 2002)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35862
_diffrn_reflns_theta_full        28.24
_diffrn_reflns_theta_max         28.24
_diffrn_reflns_theta_min         2.08
_diffrn_standards_decay_%        <1
_diffrn_standards_number         9383
_exptl_absorpt_coefficient_mu    1.934
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2002)'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1568
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.917
_refine_diff_density_min         -0.677
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         7071
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0334
_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)+(0.0426P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0822
_reflns_number_gt                5784
_reflns_number_total             7071
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049056asi20040913_103925_1.cif
_cod_data_source_block           comp3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4308351
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.041197(16) 0.88307(2) 0.00911(2) 0.01742(8) Uani 1 1 d . . .
O101 O 0.07325(9) 1.04318(12) 0.02896(11) 0.0165(3) Uani 1 1 d . . .
O102 O 0.05639(11) 0.88856(13) -0.12915(13) 0.0233(4) Uani 1 1 d D . .
H101 H 0.0335(17) 0.9475(14) -0.149(2) 0.048(5) Uiso 1 1 d D . .
H102 H 0.0354(17) 0.8353(16) -0.1631(18) 0.048(5) Uiso 1 1 d D . .
N101 N -0.01491(11) 0.73680(14) 0.00970(13) 0.0167(4) Uani 1 1 d . . .
N102 N 0.15950(11) 0.83878(15) 0.07742(13) 0.0173(4) Uani 1 1 d . . .
C101 C -0.09157(14) 0.72024(18) -0.03347(16) 0.0182(5) Uani 1 1 d . . .
H10A H -0.1091 0.6466 -0.0365 0.022 Uiso 1 1 calc R . .
C102 C 0.03274(14) 0.63788(17) 0.05027(17) 0.0210(5) Uani 1 1 d . . .
H10B H 0.0436 0.5953 -0.0030 0.025 Uiso 1 1 calc R . .
H10C H -0.0021 0.5927 0.0804 0.025 Uiso 1 1 calc R . .
C103 C 0.11533(14) 0.66049(19) 0.12435(17) 0.0224(5) Uani 1 1 d . . .
H10D H 0.1403 0.5905 0.1514 0.027 Uiso 1 1 calc R . .
H10E H 0.1045 0.7032 0.1775 0.027 Uiso 1 1 calc R . .
C104 C 0.17801(14) 0.72170(18) 0.08512(17) 0.0204(5) Uani 1 1 d . . .
H10F H 0.2348 0.7102 0.1282 0.025 Uiso 1 1 calc R . .
H10G H 0.1766 0.6927 0.0209 0.025 Uiso 1 1 calc R . .
C105 C 0.21929(14) 0.90435(18) 0.11404(16) 0.0178(5) Uani 1 1 d . . .
H10H H 0.2715 0.8718 0.1446 0.021 Uiso 1 1 calc R . .
C106 C 0.21737(13) 1.02250(18) 0.11479(15) 0.0160(5) Uani 1 1 d . . .
C107 C 0.29309(14) 1.07273(18) 0.16028(16) 0.0189(5) Uani 1 1 d . . .
H10I H 0.3400 1.0279 0.1876 0.023 Uiso 1 1 calc R . .
C108 C 0.30348(14) 1.18405(19) 0.16769(16) 0.0196(5) Uani 1 1 d . . .
C109 C 0.23373(14) 1.24614(18) 0.12555(16) 0.0194(5) Uani 1 1 d . . .
H10J H 0.2389 1.3230 0.1286 0.023 Uiso 1 1 calc R . .
C110 C 0.15606(13) 1.20160(18) 0.07877(16) 0.0165(5) Uani 1 1 d . . .
C111 C 0.14584(13) 1.08689(17) 0.07256(15) 0.0150(4) Uani 1 1 d . . .
C112 C 0.38606(14) 1.2346(2) 0.21737(18) 0.0250(5) Uani 1 1 d . . .
H11A H 0.3820 1.3137 0.2101 0.037 Uiso 1 1 calc R . .
H11B H 0.4288 1.2072 0.1886 0.037 Uiso 1 1 calc R . .
H11C H 0.4013 1.2159 0.2858 0.037 Uiso 1 1 calc R . .
Zn2 Zn -0.433153(16) 0.40495(2) -0.47678(2) 0.01776(8) Uani 1 1 d . . .
O201 O -0.55968(9) 0.43109(12) -0.50930(11) 0.0162(3) Uani 1 1 d . . .
O202 O -0.43697(11) 0.37986(13) -0.62219(12) 0.0220(4) Uani 1 1 d D . .
H201 H -0.4744(14) 0.417(2) -0.6584(18) 0.048(5) Uiso 1 1 d D . .
H202 H -0.4383(18) 0.3154(11) -0.640(2) 0.048(5) Uiso 1 1 d D . .
N201 N -0.30949(12) 0.41445(15) -0.40901(14) 0.0187(4) Uani 1 1 d . . .
N202 N -0.45099(11) 0.24802(14) -0.44263(13) 0.0180(4) Uani 1 1 d . . .
C201 C -0.26859(14) 0.50342(19) -0.38948(16) 0.0198(5) Uani 1 1 d . . .
H20A H -0.2112 0.4962 -0.3560 0.024 Uiso 1 1 calc R . .
C202 C -0.26134(15) 0.31527(19) -0.37175(19) 0.0279(6) Uani 1 1 d . . .
H20B H -0.2532 0.3114 -0.3015 0.033 Uiso 1 1 calc R . .
H20C H -0.2056 0.3212 -0.3828 0.033 Uiso 1 1 calc R . .
C203 C -0.30160(15) 0.2117(2) -0.41663(19) 0.0276(6) Uani 1 1 d . . .
H20D H -0.2607 0.1520 -0.3966 0.033 Uiso 1 1 calc R . .
H20E H -0.3142 0.2187 -0.4873 0.033 Uiso 1 1 calc R . .
C204 C -0.38036(14) 0.17963(19) -0.39266(19) 0.0256(5) Uani 1 1 d . . .
H20F H -0.3934 0.1028 -0.4110 0.031 Uiso 1 1 calc R . .
H20G H -0.3717 0.1859 -0.3224 0.031 Uiso 1 1 calc R . .
C205 C -0.52151(14) 0.19919(18) -0.47278(16) 0.0189(5) Uani 1 1 d . . .
H20H H -0.5209 0.1233 -0.4606 0.023 Uiso 1 1 calc R . .
C206 C -0.60156(13) 0.24453(17) -0.52272(16) 0.0166(5) Uani 1 1 d . . .
C207 C -0.66542(14) 0.16812(18) -0.55497(16) 0.0206(5) Uani 1 1 d . . .
H20I H -0.6527 0.0935 -0.5418 0.025 Uiso 1 1 calc R . .
C208 C -0.74572(14) 0.19568(19) -0.60479(17) 0.0213(5) Uani 1 1 d . . .
C209 C -0.76244(14) 0.30485(19) -0.62012(17) 0.0212(5) Uani 1 1 d . . .
H20J H -0.8175 0.3262 -0.6538 0.025 Uiso 1 1 calc R . .
C210 C -0.70189(14) 0.38609(18) -0.58833(16) 0.0172(5) Uani 1 1 d . . .
C211 C -0.61894(13) 0.35686(17) -0.53925(15) 0.0155(4) Uani 1 1 d . . .
C212 C -0.81138(16) 0.1095(2) -0.6406(2) 0.0297(6) Uani 1 1 d . . .
H21A H -0.8668 0.1422 -0.6527 0.045 Uiso 1 1 calc R . .
H21B H -0.8049 0.0524 -0.5920 0.045 Uiso 1 1 calc R . .
H21C H -0.8050 0.0782 -0.7003 0.045 Uiso 1 1 calc R . .
Cl1 Cl 0.40588(4) 0.56698(5) 0.18989(4) 0.02654(14) Uani 1 1 d . . .
O11 O 0.46027(16) 0.53984(18) 0.13322(16) 0.0581(7) Uani 1 1 d . . .
O12 O 0.32634(14) 0.51853(17) 0.15214(19) 0.0684(8) Uani 1 1 d . . .
O13 O 0.44163(12) 0.53041(15) 0.28707(13) 0.0374(5) Uani 1 1 d . . .
O14 O 0.39609(10) 0.68313(13) 0.19154(13) 0.0286(4) Uani 1 1 d . . .
Cl2 Cl 0.01467(4) 0.62842(5) -0.23199(4) 0.02289(13) Uani 1 1 d . . .
O21 O -0.04188(13) 0.56120(16) -0.19974(14) 0.0436(5) Uani 1 1 d . . .
O22 O -0.02353(11) 0.73203(14) -0.26066(13) 0.0331(4) Uani 1 1 d . . .
O23 O 0.03333(13) 0.57763(14) -0.31338(13) 0.0357(5) Uani 1 1 d . . .
O24 O 0.08982(12) 0.64452(16) -0.15631(14) 0.0422(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'
Cl Cl 0.1484 0.1585 '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
N102 Zn1 N101 98.51(7) . . ?
N102 Zn1 O101 90.52(7) . . ?
N101 Zn1 O101 163.44(6) . . ?
N102 Zn1 O101 164.25(7) . 3_575 ?
N101 Zn1 O101 89.83(7) . 3_575 ?
O101 Zn1 O101 78.38(6) . 3_575 ?
N102 Zn1 O102 96.63(7) . . ?
N101 Zn1 O102 102.22(7) . . ?
O101 Zn1 O102 90.40(6) . . ?
O101 Zn1 O102 94.60(6) 3_575 . ?
C111 O101 Zn1 129.25(13) . . ?
C111 O101 Zn1 127.89(13) . 3_575 ?
Zn1 O101 Zn1 101.62(6) . 3_575 ?
C101 N101 C102 114.70(19) . . ?
C101 N101 Zn1 122.75(15) . . ?
C102 N101 Zn1 122.14(14) . . ?
C105 N102 C104 117.60(19) . . ?
C105 N102 Zn1 125.21(15) . . ?
C104 N102 Zn1 117.19(14) . . ?
N101 C101 C110 129.1(2) . 3_575 ?
N101 C102 C103 114.27(18) . . ?
C102 C103 C104 114.24(19) . . ?
N102 C104 C103 111.19(18) . . ?
N102 C105 C106 128.2(2) . . ?
C107 C106 C111 119.9(2) . . ?
C107 C106 C105 115.3(2) . . ?
C111 C106 C105 124.9(2) . . ?
C108 C107 C106 123.6(2) . . ?
C107 C108 C109 116.2(2) . . ?
C107 C108 C112 121.8(2) . . ?
C109 C108 C112 122.0(2) . . ?
C108 C109 C110 123.4(2) . . ?
C109 C110 C111 119.9(2) . . ?
C109 C110 C101 115.4(2) . 3_575 ?
C111 C110 C101 124.5(2) . 3_575 ?
O101 C111 C110 120.97(19) . . ?
O101 C111 C106 122.00(19) . . ?
C110 C111 C106 117.02(19) . . ?
N201 Zn2 O201 90.84(7) . 3_464 ?
N201 Zn2 N202 97.76(7) . . ?
O201 Zn2 N202 163.62(6) 3_464 . ?
N201 Zn2 O201 160.73(7) . . ?
O201 Zn2 O201 78.07(6) 3_464 . ?
N202 Zn2 O201 89.65(7) . . ?
N201 Zn2 O202 103.63(7) . . ?
O201 Zn2 O202 93.54(6) 3_464 . ?
N202 Zn2 O202 97.90(7) . . ?
O201 Zn2 O202 92.86(6) . . ?
C211 O201 Zn2 129.35(14) . 3_464 ?
C211 O201 Zn2 126.26(13) . . ?
Zn2 O201 Zn2 101.93(6) 3_464 . ?
C201 N201 C202 115.02(19) . . ?
C201 N201 Zn2 124.42(16) . . ?
C202 N201 Zn2 120.41(15) . . ?
C205 N202 C204 115.76(19) . . ?
C205 N202 Zn2 122.88(16) . . ?
C204 N202 Zn2 120.85(14) . . ?
N201 C201 C210 128.7(2) . 3_464 ?
N201 C202 C203 114.2(2) . . ?
C202 C203 C204 116.0(2) . . ?
N202 C204 C203 111.77(19) . . ?
N202 C205 C206 128.5(2) . . ?
C207 C206 C211 119.8(2) . . ?
C207 C206 C205 114.9(2) . . ?
C211 C206 C205 125.3(2) . . ?
C208 C207 C206 123.3(2) . . ?
C207 C208 C209 116.7(2) . . ?
C207 C208 C212 121.0(2) . . ?
C209 C208 C212 122.3(2) . . ?
C208 C209 C210 123.1(2) . . ?
C209 C210 C211 119.9(2) . . ?
C209 C210 C201 115.1(2) . 3_464 ?
C211 C210 C201 125.0(2) . 3_464 ?
O201 C211 C210 121.7(2) . . ?
O201 C211 C206 121.1(2) . . ?
C210 C211 C206 117.2(2) . . ?
O12 Cl1 O11 110.98(16) . . ?
O12 Cl1 O13 109.55(14) . . ?
O11 Cl1 O13 109.43(13) . . ?
O12 Cl1 O14 108.97(12) . . ?
O11 Cl1 O14 109.66(12) . . ?
O13 Cl1 O14 108.20(11) . . ?
O21 Cl2 O24 110.38(13) . . ?
O21 Cl2 O22 109.18(12) . . ?
O24 Cl2 O22 108.85(11) . . ?
O21 Cl2 O23 109.18(11) . . ?
O24 Cl2 O23 110.07(12) . . ?
O22 Cl2 O23 109.17(11) . . ?
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
Zn1 N102 2.0236(18) . ?
Zn1 N101 2.0314(18) . ?
Zn1 O101 2.0422(15) . ?
Zn1 O101 2.0487(15) 3_575 ?
Zn1 O102 2.0886(17) . ?
O101 C111 1.316(3) . ?
O101 Zn1 2.0487(15) 3_575 ?
N101 C101 1.276(3) . ?
N101 C102 1.484(3) . ?
N102 C105 1.279(3) . ?
N102 C104 1.472(3) . ?
C101 C110 1.458(3) 3_575 ?
C102 C103 1.520(3) . ?
C103 C104 1.522(3) . ?
C105 C106 1.455(3) . ?
C106 C107 1.398(3) . ?
C106 C111 1.423(3) . ?
C107 C108 1.382(3) . ?
C108 C109 1.385(3) . ?
C108 C112 1.502(3) . ?
C109 C110 1.398(3) . ?
C110 C111 1.423(3) . ?
C110 C101 1.458(3) 3_575 ?
Zn2 N201 2.0291(19) . ?
Zn2 O201 2.0291(15) 3_464 ?
Zn2 N202 2.0370(18) . ?
Zn2 O201 2.0589(14) . ?
Zn2 O202 2.1123(17) . ?
O201 C211 1.328(2) . ?
O201 Zn2 2.0291(15) 3_464 ?
N201 C201 1.280(3) . ?
N201 C202 1.479(3) . ?
N202 C205 1.286(3) . ?
N202 C204 1.466(3) . ?
C201 C210 1.452(3) 3_464 ?
C202 C203 1.503(3) . ?
C203 C204 1.503(3) . ?
C205 C206 1.444(3) . ?
C206 C207 1.402(3) . ?
C206 C211 1.420(3) . ?
C207 C208 1.377(3) . ?
C208 C209 1.378(3) . ?
C208 C212 1.510(3) . ?
C209 C210 1.406(3) . ?
C210 C211 1.417(3) . ?
C210 C201 1.452(3) 3_464 ?
Cl1 O12 1.420(2) . ?
Cl1 O11 1.423(2) . ?
Cl1 O13 1.4402(18) . ?
Cl1 O14 1.4404(17) . ?
Cl2 O21 1.4284(18) . ?
Cl2 O24 1.4327(19) . ?
Cl2 O22 1.4352(18) . ?
Cl2 O23 1.4430(17) . ?
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
N102 Zn1 O101 C111 -0.89(17) . . . . ?
N101 Zn1 O101 C111 122.5(3) . . . . ?
O101 Zn1 O101 C111 167.9(2) 3_575 . . . ?
O102 Zn1 O101 C111 -97.53(17) . . . . ?
N102 Zn1 O101 Zn1 -168.75(7) . . . 3_575 ?
N101 Zn1 O101 Zn1 -45.4(3) . . . 3_575 ?
O101 Zn1 O101 Zn1 0.0 3_575 . . 3_575 ?
O102 Zn1 O101 Zn1 94.62(7) . . . 3_575 ?
N102 Zn1 N101 C101 -174.17(17) . . . . ?
O101 Zn1 N101 C101 63.5(3) . . . . ?
O101 Zn1 N101 C101 19.24(18) 3_575 . . . ?
O102 Zn1 N101 C101 -75.43(18) . . . . ?
N102 Zn1 N101 C102 -1.86(17) . . . . ?
O101 Zn1 N101 C102 -124.2(2) . . . . ?
O101 Zn1 N101 C102 -168.45(16) 3_575 . . . ?
O102 Zn1 N101 C102 96.88(17) . . . . ?
N101 Zn1 N102 C105 -164.99(18) . . . . ?
O101 Zn1 N102 C105 1.08(19) . . . . ?
O101 Zn1 N102 C105 -43.7(4) 3_575 . . . ?
O102 Zn1 N102 C105 91.55(19) . . . . ?
N101 Zn1 N102 C104 15.24(16) . . . . ?
O101 Zn1 N102 C104 -178.69(15) . . . . ?
O101 Zn1 N102 C104 136.5(2) 3_575 . . . ?
O102 Zn1 N102 C104 -88.23(16) . . . . ?
C102 N101 C101 C110 178.2(2) . . . 3_575 ?
Zn1 N101 C101 C110 -9.0(3) . . . 3_575 ?
C101 N101 C102 C103 -163.5(2) . . . . ?
Zn1 N101 C102 C103 23.6(3) . . . . ?
N101 C102 C103 C104 -63.2(3) . . . . ?
C105 N102 C104 C103 129.8(2) . . . . ?
Zn1 N102 C104 C103 -50.4(2) . . . . ?
C102 C103 C104 N102 79.6(2) . . . . ?
C104 N102 C105 C106 179.1(2) . . . . ?
Zn1 N102 C105 C106 -0.7(3) . . . . ?
N102 C105 C106 C107 -179.8(2) . . . . ?
N102 C105 C106 C111 -0.5(4) . . . . ?
C111 C106 C107 C108 0.3(3) . . . . ?
C105 C106 C107 C108 179.7(2) . . . . ?
C106 C107 C108 C109 -0.9(3) . . . . ?
C106 C107 C108 C112 179.9(2) . . . . ?
C107 C108 C109 C110 0.8(3) . . . . ?
C112 C108 C109 C110 180.0(2) . . . . ?
C108 C109 C110 C111 -0.1(3) . . . . ?
C108 C109 C110 C101 -176.1(2) . . . 3_575 ?
Zn1 O101 C111 C110 179.74(14) . . . . ?
Zn1 O101 C111 C110 -15.4(3) 3_575 . . . ?
Zn1 O101 C111 C106 0.2(3) . . . . ?
Zn1 O101 C111 C106 165.04(15) 3_575 . . . ?
C109 C110 C111 O101 179.91(19) . . . . ?
C101 C110 C111 O101 -4.5(3) 3_575 . . . ?
C109 C110 C111 C106 -0.5(3) . . . . ?
C101 C110 C111 C106 175.12(19) 3_575 . . . ?
C107 C106 C111 O101 179.99(19) . . . . ?
C105 C106 C111 O101 0.7(3) . . . . ?
C107 C106 C111 C110 0.4(3) . . . . ?
C105 C106 C111 C110 -178.8(2) . . . . ?
N201 Zn2 O201 C211 -140.5(2) . . . . ?
O201 Zn2 O201 C211 163.49(19) 3_464 . . . ?
N202 Zn2 O201 C211 -27.42(16) . . . . ?
O202 Zn2 O201 C211 70.47(16) . . . . ?
N201 Zn2 O201 Zn2 56.0(2) . . . 3_464 ?
O201 Zn2 O201 Zn2 0.0 3_464 . . 3_464 ?
N202 Zn2 O201 Zn2 169.09(7) . . . 3_464 ?
O202 Zn2 O201 Zn2 -93.02(7) . . . 3_464 ?
O201 Zn2 N201 C201 1.78(19) 3_464 . . . ?
N202 Zn2 N201 C201 -164.24(19) . . . . ?
O201 Zn2 N201 C201 -52.5(3) . . . . ?
O202 Zn2 N201 C201 95.64(19) . . . . ?
O201 Zn2 N201 C202 177.07(17) 3_464 . . . ?
N202 Zn2 N201 C202 11.04(18) . . . . ?
O201 Zn2 N201 C202 122.8(2) . . . . ?
O202 Zn2 N201 C202 -89.08(18) . . . . ?
N201 Zn2 N202 C205 -177.32(17) . . . . ?
O201 Zn2 N202 C205 61.6(3) 3_464 . . . ?
O201 Zn2 N202 C205 20.53(18) . . . . ?
O202 Zn2 N202 C205 -72.31(18) . . . . ?
N201 Zn2 N202 C204 -5.87(18) . . . . ?
O201 Zn2 N202 C204 -127.0(2) 3_464 . . . ?
O201 Zn2 N202 C204 -168.02(17) . . . . ?
O202 Zn2 N202 C204 99.14(17) . . . . ?
C202 N201 C201 C210 -177.1(2) . . . 3_464 ?
Zn2 N201 C201 C210 -1.6(3) . . . 3_464 ?
C201 N201 C202 C203 -164.2(2) . . . . ?
Zn2 N201 C202 C203 20.1(3) . . . . ?
N201 C202 C203 C204 -68.5(3) . . . . ?
C205 N202 C204 C203 142.2(2) . . . . ?
Zn2 N202 C204 C203 -29.8(3) . . . . ?
C202 C203 C204 N202 73.7(3) . . . . ?
C204 N202 C205 C206 179.1(2) . . . . ?
Zn2 N202 C205 C206 -9.0(3) . . . . ?
N202 C205 C206 C207 173.7(2) . . . . ?
N202 C205 C206 C211 -7.2(4) . . . . ?
C211 C206 C207 C208 1.5(3) . . . . ?
C205 C206 C207 C208 -179.3(2) . . . . ?
C206 C207 C208 C209 -1.8(3) . . . . ?
C206 C207 C208 C212 178.0(2) . . . . ?
C207 C208 C209 C210 0.6(3) . . . . ?
C212 C208 C209 C210 -179.2(2) . . . . ?
C208 C209 C210 C211 1.0(3) . . . . ?
C208 C209 C210 C201 -179.5(2) . . . 3_464 ?
Zn2 O201 C211 C210 -0.5(3) 3_464 . . . ?
Zn2 O201 C211 C210 -159.45(15) . . . . ?
Zn2 O201 C211 C206 179.84(14) 3_464 . . . ?
Zn2 O201 C211 C206 20.9(3) . . . . ?
C209 C210 C211 O201 179.01(19) . . . . ?
C201 C210 C211 O201 -0.4(3) 3_464 . . . ?
C209 C210 C211 C206 -1.3(3) . . . . ?
C201 C210 C211 C206 179.2(2) 3_464 . . . ?
C207 C206 C211 O201 179.84(19) . . . . ?
C205 C206 C211 O201 0.7(3) . . . . ?
C207 C206 C211 C210 0.2(3) . . . . ?
C205 C206 C211 C210 -178.9(2) . . . . ?
