#------------------------------------------------------------------------------
#$Date: 2017-06-19 12:02:37 +0300 (Mon, 19 Jun 2017) $
#$Revision: 197922 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/48/2204877.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2204877
loop_
_publ_author_name
'Ding, Cai-Feng'
'Zhang, Shu-Sheng'
'Zhu, Mei'
'Li, Xue-Mei'
'Xu, Hong'
'Ouyang, Ping-Kai'
_publ_section_title
Di-μ-adipato-κ⁶O,O':O'';O:O',O''-bis[aqua(1,10-phenanthroline-κ²N,N)zinc(II)]
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m147
_journal_page_last               m148
_journal_paper_doi               10.1107/S160053680403288X
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Zn2 (C6 H8 O4)2 (C12 H8 N2)2 (H2 O)2]'
_chemical_formula_moiety         'C36 H36 N4 O10 Zn2'
_chemical_formula_sum            'C36 H36 N4 O10 Zn2'
_chemical_formula_weight         815.42
_chemical_name_systematic
;
di-μ-adipato-κ⁶O,O':O'';O:O',O''-bis[aqua(1,10-phenanthroline-
κ²N,N')zinc(II)]
;
_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                70.9710(10)
_cell_angle_beta                 75.5080(10)
_cell_angle_gamma                72.0770(10)
_cell_formula_units_Z            1
_cell_length_a                   8.1984(4)
_cell_length_b                   9.7549(5)
_cell_length_c                   11.8636(6)
_cell_measurement_reflns_used    3889
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.01
_cell_measurement_theta_min      2.28
_cell_volume                     841.48(7)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material
'SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 2003)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Siemens SMART 1000 CCD area-detector'
_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  0.0091
_diffrn_reflns_av_sigmaI/netI    0.0149
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4743
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.493
_exptl_absorpt_correction_T_max  0.8899
_exptl_absorpt_correction_T_min  0.4995
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       plate
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.268
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     243
_refine_ls_number_reflns         3228
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0250
_refine_ls_R_factor_gt           0.0239
_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)+(0.0373P)²+0.2537P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0646
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                3094
_reflns_number_total             3228
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cv6431.cif
_cod_data_source_block           I
_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 1527 2010-12-29 10:47:43Z saulius 

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 

2017-06-04
Formula fixed to be consistent with Z value
                 miguel
;
_cod_original_formula_sum            'C18 H18 N2 O5 Zn'
_cod_original_formula_weight         407.71
_cod_original_formula_moiety         'C18 H18 N2 O5 Zn'
_cod_database_code               2204877
_cod_database_fobs_code          2204877
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Zn1 0.06374(2) 0.14741(2) 0.291440(15) 0.03325(8) Uani d . 1 Zn
O1W -0.07073(18) -0.01149(15) 0.38210(11) 0.0366(3) Uani d . 1 O
O4 0.26164(16) 0.08574(15) 0.39055(11) 0.0408(3) Uani d . 1 O
O1 -0.1033(2) 0.31354(17) 0.35850(14) 0.0563(4) Uani d . 1 O
O3 0.3049(2) 0.26808(15) 0.22882(12) 0.0522(3) Uani d . 1 O
N2 -0.02543(19) 0.25473(16) 0.12310(13) 0.0355(3) Uani d . 1 N
N1 0.22272(18) 0.00009(16) 0.17503(12) 0.0350(3) Uani d . 1 N
C11 0.0567(2) 0.18910(19) 0.03249(14) 0.0342(3) Uani d . 1 C
C16 0.3447(2) 0.18388(18) 0.32699(15) 0.0336(3) Uani d . 1 C
O2 -0.1077(2) 0.28558(16) 0.55299(13) 0.0629(4) Uani d . 1 O
C12 0.1889(2) 0.05181(19) 0.06083(14) 0.0335(3) Uani d . 1 C
C7 0.0164(3) 0.2490(2) -0.08530(15) 0.0435(4) Uani d . 1 C
C17 0.4907(2) 0.1959(2) 0.37621(17) 0.0390(4) Uani d . 1 C
H17A 0.5575 0.2591 0.3132 0.047 Uiso calc R 1 H
H17B 0.5676 0.0973 0.4002 0.047 Uiso calc R 1 H
C13 -0.1442(2) 0.35907(19) 0.45197(16) 0.0376(4) Uani d . 1 C
C4 0.2760(2) -0.0217(2) -0.02960(16) 0.0423(4) Uani d . 1 C
C14 -0.2486(3) 0.5204(2) 0.43380(17) 0.0454(4) Uani d . 1 C
H14B -0.1790 0.5831 0.3729 0.055 Uiso calc R 1 H
H14A -0.3508 0.5313 0.4014 0.055 Uiso calc R 1 H
C18 0.4225(2) 0.2612(2) 0.48479(17) 0.0397(4) Uani d . 1 C
H18A 0.3566 0.1969 0.5475 0.060 Uiso calc R 1 H
H18B 0.5207 0.2607 0.5167 0.060 Uiso calc R 1 H
C15 -0.3078(2) 0.58025(19) 0.54365(16) 0.0395(4) Uani d . 1 C
H15A -0.2069 0.5794 0.5728 0.059 Uiso calc R 1 H
H15B -0.3719 0.5155 0.6074 0.059 Uiso calc R 1 H
C1 0.3435(2) -0.1258(2) 0.20292(17) 0.0434(4) Uani d . 1 C
H1 0.3666 -0.1625 0.2817 0.052 Uiso calc R 1 H
C10 -0.1483(3) 0.3810(2) 0.09853(18) 0.0469(4) Uani d . 1 C
H10 -0.2062 0.4263 0.1603 0.056 Uiso calc R 1 H
C6 0.1056(3) 0.1687(3) -0.17407(17) 0.0533(5) Uani d . 1 C
H6 0.0778 0.2062 -0.2516 0.064 Uiso calc R 1 H
C5 0.2281(3) 0.0410(3) -0.14757(17) 0.0541(5) Uani d . 1 C
H5 0.2836 -0.0084 -0.2072 0.065 Uiso calc R 1 H
C3 0.4046(3) -0.1541(2) 0.00321(19) 0.0516(5) Uani d . 1 C
H3 0.4668 -0.2062 -0.0536 0.062 Uiso calc R 1 H
C8 -0.1118(3) 0.3834(2) -0.10763(19) 0.0545(5) Uani d . 1 C
H8 -0.1407 0.4280 -0.1846 0.065 Uiso calc R 1 H
C9 -0.1941(3) 0.4486(2) -0.0164(2) 0.0563(5) Uani d . 1 C
H9 -0.2801 0.5375 -0.0305 0.068 Uiso calc R 1 H
C2 0.4379(3) -0.2060(2) 0.1190(2) 0.0531(5) Uani d . 1 C
H2 0.5225 -0.2938 0.1417 0.064 Uiso calc R 1 H
H1WB -0.141(3) 0.002(3) 0.437(2) 0.055(7) Uiso d . 1 H
H1WA -0.005(3) -0.099(3) 0.403(2) 0.061(7) Uiso d . 1 H
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Zn1 O1W . . 96.49(6)
O1 Zn1 O4 . . 101.27(5)
O1W Zn1 O4 . . 101.71(5)
O1 Zn1 N2 . . 89.21(6)
O1W Zn1 N2 . . 106.66(5)
O4 Zn1 N2 . . 148.38(5)
O1 Zn1 N1 . . 165.55(6)
O1W Zn1 N1 . . 88.77(5)
O4 Zn1 N1 . . 90.76(5)
N2 Zn1 N1 . . 76.37(5)
O1 Zn1 O3 . . 93.97(6)
O1W Zn1 O3 . . 158.19(5)
O4 Zn1 O3 . . 57.35(5)
N2 Zn1 O3 . . 92.53(5)
N1 Zn1 O3 . . 85.75(5)
O1 Zn1 C16 . . 96.77(6)
O1W Zn1 C16 . . 130.77(5)
O4 Zn1 C16 . . 29.10(5)
N2 Zn1 C16 . . 120.70(5)
N1 Zn1 C16 . . 89.84(5)
O3 Zn1 C16 . . 28.36(5)
Zn1 O1W H1WB . . 118.1(17)
Zn1 O1W H1WA . . 113.0(16)
H1WB O1W H1WA . . 108(2)
C16 O4 Zn1 . . 98.80(10)
C13 O1 Zn1 . . 140.64(13)
C16 O3 Zn1 . . 82.27(11)
C10 N2 C11 . . 118.11(16)
C10 N2 Zn1 . . 126.04(13)
C11 N2 Zn1 . . 115.81(11)
C1 N1 C12 . . 118.27(15)
C1 N1 Zn1 . . 128.68(12)
C12 N1 Zn1 . . 113.04(11)
N2 C11 C7 . . 122.69(17)
N2 C11 C12 . . 117.39(14)
C7 C11 C12 . . 119.91(16)
O3 C16 O4 . . 121.11(16)
O3 C16 C17 . . 121.21(16)
O4 C16 C17 . . 117.67(15)
O3 C16 Zn1 . . 69.37(10)
O4 C16 Zn1 . . 52.10(8)
C17 C16 Zn1 . . 167.53(12)
N1 C12 C4 . . 123.15(17)
N1 C12 C11 . . 117.31(14)
C4 C12 C11 . . 119.54(16)
C8 C7 C11 . . 117.27(18)
C8 C7 C6 . . 123.99(18)
C11 C7 C6 . . 118.74(19)
C16 C17 C18 . . 111.58(14)
C16 C17 H17A . . 109.3
C18 C17 H17A . . 109.3
C16 C17 H17B . . 109.3
C18 C17 H17B . . 109.3
H17A C17 H17B . . 108.0
O2 C13 O1 . . 126.37(17)
O2 C13 C14 . . 119.28(15)
O1 C13 C14 . . 114.35(16)
C3 C4 C12 . . 116.87(17)
C3 C4 C5 . . 124.29(18)
C12 C4 C5 . . 118.84(19)
C15 C14 C13 . . 117.00(16)
C15 C14 H14B . . 108.0
C13 C14 H14B . . 108.0
C15 C14 H14A . . 108.0
C13 C14 H14A . . 108.0
H14B C14 H14A . . 107.3
C15 C18 C17 2_566 . 114.13(15)
C15 C18 H18A 2_566 . 108.7
C17 C18 H18A . . 108.7
C15 C18 H18B 2_566 . 108.7
C17 C18 H18B . . 108.7
H18A C18 H18B . . 107.6
C14 C15 C18 . 2_566 111.63(15)
C14 C15 H15A . . 109.3
C18 C15 H15A 2_566 . 109.3
C14 C15 H15B . . 109.3
C18 C15 H15B 2_566 . 109.3
H15A C15 H15B . . 108.0
N1 C1 C2 . . 122.70(18)
N1 C1 H1 . . 118.6
C2 C1 H1 . . 118.6
N2 C10 C9 . . 122.6(2)
N2 C10 H10 . . 118.7
C9 C10 H10 . . 118.7
C5 C6 C7 . . 121.28(18)
C5 C6 H6 . . 119.4
C7 C6 H6 . . 119.4
C6 C5 C4 . . 121.66(18)
C6 C5 H5 . . 119.2
C4 C5 H5 . . 119.2
C2 C3 C4 . . 119.69(17)
C2 C3 H3 . . 120.2
C4 C3 H3 . . 120.2
C9 C8 C7 . . 119.80(18)
C9 C8 H8 . . 120.1
C7 C8 H8 . . 120.1
C8 C9 C10 . . 119.5(2)
C8 C9 H9 . . 120.2
C10 C9 H9 . . 120.2
C3 C2 C1 . . 119.32(19)
C3 C2 H2 . . 120.3
C1 C2 H2 . . 120.3
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Zn1 O1 . 2.0161(13) yes
Zn1 O1W . 2.0361(13) yes
Zn1 O4 . 2.0663(12) yes
Zn1 N2 . 2.1249(14) yes
Zn1 N1 . 2.2162(14) yes
Zn1 O3 . 2.4441(15) yes
Zn1 C16 . 2.5879(17) ?
O1W H1WB . 0.77(3) ?
O1W H1WA . 0.85(3) ?
O4 C16 . 1.274(2) ?
O1 C13 . 1.258(2) ?
O3 C16 . 1.240(2) ?
N2 C10 . 1.329(2) ?
N2 C11 . 1.356(2) ?
N1 C1 . 1.323(2) ?
N1 C12 . 1.350(2) ?
C11 C7 . 1.408(2) ?
C11 C12 . 1.441(2) ?
C16 C17 . 1.506(2) ?
O2 C13 . 1.236(2) ?
C12 C4 . 1.406(2) ?
C7 C8 . 1.400(3) ?
C7 C6 . 1.434(3) ?
C17 C18 . 1.528(2) ?
C17 H17A . 0.9700 ?
C17 H17B . 0.9700 ?
C13 C14 . 1.516(2) ?
C4 C3 . 1.404(3) ?
C4 C5 . 1.434(3) ?
C14 C15 . 1.510(2) ?
C14 H14B . 0.9700 ?
C14 H14A . 0.9700 ?
C18 C15 2_566 1.521(2) ?
C18 H18A . 0.9700 ?
C18 H18B . 0.9700 ?
C15 C18 2_566 1.521(2) ?
C15 H15A . 0.9700 ?
C15 H15B . 0.9700 ?
C1 C2 . 1.397(3) ?
C1 H1 . 0.9300 ?
C10 C9 . 1.397(3) ?
C10 H10 . 0.9300 ?
C6 C5 . 1.339(3) ?
C6 H6 . 0.9300 ?
C5 H5 . 0.9300 ?
C3 C2 . 1.366(3) ?
C3 H3 . 0.9300 ?
C8 C9 . 1.360(3) ?
C8 H8 . 0.9300 ?
C9 H9 . 0.9300 ?
C2 H2 . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C10 H10 O1 . 0.93 2.49 3.030(3) 117 yes
O1W H1WB O4 2_556 0.77(2) 2.06(2) 2.750(2) 148(3) yes
O1W H1WA O2 2_556 0.85(3) 1.74(3) 2.588(2) 173(3) yes
C3 H3 O3 2_655 0.93 2.52 3.402(3) 158 yes
C9 H9 O3 2_565 0.93 2.50 3.142(3) 126 yes
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_site_symmetry_4
_geom_torsion
O1 Zn1 O4 C16 . -83.64(10)
O1W Zn1 O4 C16 . 177.21(9)
N2 Zn1 O4 C16 . 23.64(15)
N1 Zn1 O4 C16 . 88.30(10)
O3 Zn1 O4 C16 . 3.85(9)
O1W Zn1 O1 C13 . 79.1(2)
O4 Zn1 O1 C13 . -24.3(2)
N2 Zn1 O1 C13 . -174.2(2)
N1 Zn1 O1 C13 . -170.13(19)
O3 Zn1 O1 C13 . -81.8(2)
C16 Zn1 O1 C13 . -53.4(2)
O1 Zn1 O3 C16 . 96.91(10)
O1W Zn1 O3 C16 . -21.68(19)
O4 Zn1 O3 C16 . -3.94(9)
N2 Zn1 O3 C16 . -173.70(10)
N1 Zn1 O3 C16 . -97.58(10)
O1 Zn1 N2 C10 . -0.94(15)
O1W Zn1 N2 C10 . 95.60(15)
O4 Zn1 N2 C10 . -111.46(16)
N1 Zn1 N2 C10 . -179.89(16)
O3 Zn1 N2 C10 . -94.88(15)
C16 Zn1 N2 C10 . -98.36(15)
O1 Zn1 N2 C11 . 176.60(12)
O1W Zn1 N2 C11 . -86.86(12)
O4 Zn1 N2 C11 . 66.08(16)
N1 Zn1 N2 C11 . -2.34(11)
O3 Zn1 N2 C11 . 82.66(12)
C16 Zn1 N2 C11 . 79.19(12)
O1 Zn1 N1 C1 . 176.4(2)
O1W Zn1 N1 C1 . -71.88(15)
O4 Zn1 N1 C1 . 29.82(15)
N2 Zn1 N1 C1 . -179.36(16)
O3 Zn1 N1 C1 . 87.00(15)
C16 Zn1 N1 C1 . 58.91(15)
O1 Zn1 N1 C12 . -2.5(3)
O1W Zn1 N1 C12 . 109.27(11)
O4 Zn1 N1 C12 . -149.03(11)
N2 Zn1 N1 C12 . 1.79(11)
O3 Zn1 N1 C12 . -91.85(11)
C16 Zn1 N1 C12 . -119.94(11)
C10 N2 C11 C7 . -0.3(2)
Zn1 N2 C11 C7 . -178.05(12)
C10 N2 C11 C12 . -179.64(15)
Zn1 N2 C11 C12 . 2.61(18)
Zn1 O3 C16 O4 . 6.29(14)
Zn1 O3 C16 C17 . -172.64(14)
Zn1 O4 C16 O3 . -7.47(17)
Zn1 O4 C16 C17 . 171.50(11)
O1 Zn1 C16 O3 . -85.80(10)
O1W Zn1 C16 O3 . 169.56(9)
O4 Zn1 C16 O3 . 173.17(15)
N2 Zn1 C16 O3 . 7.32(12)
N1 Zn1 C16 O3 . 81.32(10)
O1 Zn1 C16 O4 . 101.03(10)
O1W Zn1 C16 O4 . -3.61(12)
N2 Zn1 C16 O4 . -165.85(9)
N1 Zn1 C16 O4 . -91.85(10)
O3 Zn1 C16 O4 . -173.17(15)
O1 Zn1 C16 C17 . 63.7(5)
O1W Zn1 C16 C17 . -40.9(5)
O4 Zn1 C16 C17 . -37.3(5)
N2 Zn1 C16 C17 . 156.8(5)
N1 Zn1 C16 C17 . -129.2(5)
O3 Zn1 C16 C17 . 149.5(6)
C1 N1 C12 C4 . -0.1(2)
Zn1 N1 C12 C4 . 178.89(12)
C1 N1 C12 C11 . 179.96(15)
Zn1 N1 C12 C11 . -1.06(18)
N2 C11 C12 N1 . -1.0(2)
C7 C11 C12 N1 . 179.67(14)
N2 C11 C12 C4 . 179.08(14)
C7 C11 C12 C4 . -0.3(2)
N2 C11 C7 C8 . 1.3(3)
C12 C11 C7 C8 . -179.33(16)
N2 C11 C7 C6 . -177.65(15)
C12 C11 C7 C6 . 1.7(2)
O3 C16 C17 C18 . 108.49(18)
O4 C16 C17 C18 . -70.48(19)
Zn1 C16 C17 C18 . -37.8(6)
Zn1 O1 C13 O2 . -17.5(4)
Zn1 O1 C13 C14 . 162.58(17)
N1 C12 C4 C3 . -0.6(2)
C11 C12 C4 C3 . 179.38(15)
N1 C12 C4 C5 . 178.80(15)
C11 C12 C4 C5 . -1.2(2)
O2 C13 C14 C15 . -2.2(3)
O1 C13 C14 C15 . 177.71(17)
C16 C17 C18 C15 2_566 -62.2(2)
C13 C14 C15 C18 2_566 -175.59(16)
C12 N1 C1 C2 . 0.6(3)
Zn1 N1 C1 C2 . -178.18(14)
C11 N2 C10 C9 . -0.7(3)
Zn1 N2 C10 C9 . 176.83(15)
C8 C7 C6 C5 . 179.52(19)
C11 C7 C6 C5 . -1.6(3)
C7 C6 C5 C4 . 0.0(3)
C3 C4 C5 C6 . -179.27(19)
C12 C4 C5 C6 . 1.4(3)
C12 C4 C3 C2 . 0.7(3)
C5 C4 C3 C2 . -178.62(19)
C11 C7 C8 C9 . -1.4(3)
C6 C7 C8 C9 . 177.50(19)
C7 C8 C9 C10 . 0.6(3)
N2 C10 C9 C8 . 0.5(3)
C4 C3 C2 C1 . -0.2(3)
N1 C1 C2 C3 . -0.5(3)
