#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2206659.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_2206659
loop_
_publ_author_name
'Li, Zong-Xiao'
'Zhang, Xin-Li'
_publ_section_title
;
Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]zinc(II)
;
_journal_coeditor_code           CI6629
_journal_issue                   9
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m1755
_journal_page_last               m1756
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '{Zn (C13 H15 Cl1 N1 O1)2]'
_chemical_formula_moiety         'C26 H30 Cl2 N2 O2 Zn'
_chemical_formula_sum            'C26 H30 Cl2 N2 O2 Zn'
_chemical_formula_weight         538.79
_chemical_name_systematic
;
Bis[4-chloro-2-(cyclohexyliminomethyl)phenolato]zinc(II)
;
_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.848(2)
_cell_length_b                   13.567(2)
_cell_length_c                   24.993(5)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      13.57
_cell_measurement_theta_min      2.19
_cell_volume                     5034.5(13)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1995)'
_computing_data_reduction        'SHELXTL (Siemens, 1995)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_sigmaI/netI    0.0694
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       1
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            5714
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        3.41
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.214
_exptl_absorpt_correction_T_max  0.747
_exptl_absorpt_correction_T_min  0.472
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(XSCANS; Siemens, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2240
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.227
_refine_diff_density_min         -0.341
_refine_ls_extinction_coef       0.00191(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4687
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.901
_refine_ls_R_factor_all          0.0899
_refine_ls_R_factor_gt           0.0373
_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/[\s^2^(Fo^2^)+(0.0308P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0661
_refine_ls_wR_factor_ref         0.0746
_reflns_number_gt                2587
_reflns_number_total             4687
_reflns_threshold_expression     I>2\s(I)
_[local]_cod_data_source_file    ci6629.cif
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
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_
_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
Zn 0.64196(2) 0.58257(3) 0.305777(14) 0.04529(13) Uani d . 1 Zn
Cl1 0.82237(6) 0.26492(7) 0.10343(3) 0.0691(3) Uani d . 1 Cl
Cl2 0.38801(8) 0.88393(8) 0.48846(4) 0.0945(4) Uani d . 1 Cl
O1 0.71863(13) 0.59206(15) 0.24402(8) 0.0511(6) Uani d . 1 O
O2 0.66003(13) 0.66812(15) 0.36550(9) 0.0556(6) Uani d . 1 O
N1 0.67360(16) 0.44078(17) 0.32149(9) 0.0413(6) Uani d . 1 N
N2 0.51475(15) 0.62634(17) 0.29080(9) 0.0399(6) Uani d . 1 N
C1 0.5955(2) 0.7105(2) 0.39229(13) 0.0447(8) Uani d . 1 C
C2 0.6150(2) 0.7521(2) 0.44308(14) 0.0569(9) Uani d . 1 C
H2 0.6721 0.7433 0.4575 0.068 Uiso calc R 1 H
C3 0.5532(3) 0.8042(2) 0.47122(13) 0.0605(10) Uani d . 1 C
H3 0.5697 0.8327 0.5036 0.073 Uiso calc R 1 H
C4 0.4660(2) 0.8156(2) 0.45262(13) 0.0557(9) Uani d . 1 C
C5 0.4424(2) 0.7732(2) 0.40463(12) 0.0517(9) Uani d . 1 C
H5 0.3837 0.7799 0.3921 0.062 Uiso calc R 1 H
C6 0.5052(2) 0.7199(2) 0.37418(12) 0.0417(8) Uani d . 1 C
C7 0.4726(2) 0.6810(2) 0.32398(12) 0.0446(8) Uani d . 1 C
H7 0.4139 0.6977 0.3147 0.054 Uiso calc R 1 H
C8 0.4671(2) 0.5996(2) 0.24119(12) 0.0424(8) Uani d . 1 C
H8 0.4029 0.6142 0.2458 0.051 Uiso calc R 1 H
C9 0.4774(2) 0.4906(2) 0.22997(12) 0.0510(9) Uani d . 1 C
H9A 0.4500 0.4530 0.2587 0.061 Uiso calc R 1 H
H9B 0.5408 0.4738 0.2285 0.061 Uiso calc R 1 H
C10 0.4327(2) 0.4638(3) 0.17712(13) 0.0651(10) Uani d . 1 C
H10A 0.4421 0.3943 0.1699 0.078 Uiso calc R 1 H
H10B 0.3684 0.4752 0.1798 0.078 Uiso calc R 1 H
C11 0.4702(2) 0.5235(3) 0.13173(14) 0.0728(11) Uani d . 1 C
H11A 0.4393 0.5063 0.0989 0.087 Uiso calc R 1 H
H11B 0.5336 0.5083 0.1272 0.087 Uiso calc R 1 H
C12 0.4593(3) 0.6326(3) 0.14229(13) 0.0720(11) Uani d . 1 C
H12A 0.3957 0.6490 0.1432 0.086 Uiso calc R 1 H
H12B 0.4869 0.6698 0.1135 0.086 Uiso calc R 1 H
C13 0.5028(2) 0.6612(2) 0.19529(12) 0.0608(10) Uani d . 1 C
H13A 0.5675 0.6525 0.1927 0.073 Uiso calc R 1 H
H13B 0.4910 0.7303 0.2025 0.073 Uiso calc R 1 H
C14 0.74025(19) 0.5145(2) 0.21489(12) 0.0422(8) Uani d . 1 C
C15 0.7690(2) 0.5304(3) 0.16133(13) 0.0537(9) Uani d . 1 C
H15 0.7709 0.5945 0.1482 0.064 Uiso calc R 1 H
C16 0.7937(2) 0.4551(3) 0.12867(13) 0.0526(9) Uani d . 1 C
H16 0.8119 0.4684 0.0938 0.063 Uiso calc R 1 H
C17 0.7921(2) 0.3594(2) 0.14683(13) 0.0470(8) Uani d . 1 C
C18 0.76606(18) 0.3398(2) 0.19832(12) 0.0443(8) Uani d . 1 C
H18 0.7668 0.2752 0.2108 0.053 Uiso calc R 1 H
C19 0.73829(17) 0.4160(2) 0.23249(11) 0.0375(7) Uani d . 1 C
C20 0.71104(19) 0.3870(2) 0.28612(12) 0.0442(8) Uani d . 1 C
H20 0.7222 0.3219 0.2957 0.053 Uiso calc R 1 H
C21 0.65493(19) 0.3976(2) 0.37475(12) 0.0473(8) Uani d . 1 C
H21 0.6650 0.3263 0.3731 0.057 Uiso calc R 1 H
C22 0.55684(19) 0.4166(2) 0.38920(12) 0.0509(8) Uani d . 1 C
H22A 0.5180 0.3831 0.3639 0.061 Uiso calc R 1 H
H22B 0.5444 0.4867 0.3871 0.061 Uiso calc R 1 H
C23 0.5369(2) 0.3798(2) 0.44557(12) 0.0583(9) Uani d . 1 C
H23A 0.4748 0.3945 0.4547 0.070 Uiso calc R 1 H
H23B 0.5449 0.3089 0.4470 0.070 Uiso calc R 1 H
C24 0.5988(2) 0.4284(2) 0.48561(13) 0.0603(10) Uani d . 1 C
H24A 0.5856 0.4037 0.5212 0.072 Uiso calc R 1 H
H24B 0.5885 0.4990 0.4856 0.072 Uiso calc R 1 H
C25 0.6968(2) 0.4075(3) 0.47208(12) 0.0670(10) Uani d . 1 C
H25A 0.7083 0.3374 0.4751 0.080 Uiso calc R 1 H
H25B 0.7355 0.4414 0.4974 0.080 Uiso calc R 1 H
C26 0.71891(19) 0.4419(3) 0.41536(12) 0.0578(10) Uani d . 1 C
H26A 0.7151 0.5132 0.4137 0.069 Uiso calc R 1 H
H26B 0.7801 0.4230 0.4066 0.069 Uiso calc R 1 H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Zn 0.0418(2) 0.0419(2) 0.0522(2) 0.00267(19) 0.00011(19) 0.0037(2)
Cl1 0.0838(6) 0.0694(6) 0.0540(6) 0.0026(5) 0.0207(5) -0.0048(5)
Cl2 0.1173(9) 0.1069(9) 0.0591(6) 0.0248(7) 0.0113(6) -0.0272(6)
O1 0.0575(13) 0.0393(12) 0.0565(14) -0.0003(11) 0.0145(11) 0.0074(12)
O2 0.0475(13) 0.0540(14) 0.0651(16) 0.0026(11) -0.0119(12) -0.0101(13)
N1 0.0423(14) 0.0409(15) 0.0408(16) 0.0047(12) 0.0072(12) 0.0073(13)
N2 0.0429(15) 0.0407(14) 0.0362(16) 0.0020(12) -0.0051(13) -0.0030(13)
C1 0.054(2) 0.0340(18) 0.046(2) -0.0089(16) -0.0060(18) 0.0096(17)
C2 0.064(2) 0.056(2) 0.051(2) -0.010(2) -0.016(2) 0.0020(19)
C3 0.091(3) 0.054(2) 0.037(2) -0.016(2) -0.008(2) -0.0027(18)
C4 0.079(3) 0.048(2) 0.040(2) 0.000(2) 0.0062(19) -0.0022(18)
C5 0.059(2) 0.050(2) 0.046(2) 0.0007(18) -0.0063(18) 0.0002(18)
C6 0.0493(19) 0.0378(18) 0.0382(19) 0.0014(16) -0.0032(17) 0.0014(16)
C7 0.0437(19) 0.0429(19) 0.047(2) 0.0001(16) -0.0098(16) 0.0026(17)
C8 0.0395(17) 0.047(2) 0.0402(19) 0.0042(15) -0.0063(15) -0.0083(17)
C9 0.052(2) 0.047(2) 0.054(2) -0.0016(17) -0.0004(17) -0.0026(18)
C10 0.072(2) 0.054(2) 0.069(3) -0.0049(19) -0.008(2) -0.024(2)
C11 0.079(3) 0.095(3) 0.044(2) -0.006(2) 0.001(2) -0.023(2)
C12 0.090(3) 0.082(3) 0.044(2) -0.011(2) -0.012(2) 0.008(2)
C13 0.083(3) 0.050(2) 0.049(2) -0.0091(19) -0.013(2) 0.004(2)
C14 0.0315(17) 0.050(2) 0.046(2) -0.0034(16) 0.0003(16) 0.0083(18)
C15 0.054(2) 0.048(2) 0.059(2) 0.0015(18) 0.0073(19) 0.019(2)
C16 0.057(2) 0.061(2) 0.039(2) 0.0007(18) 0.0082(17) 0.014(2)
C17 0.0434(18) 0.051(2) 0.046(2) 0.0024(17) 0.0038(17) 0.0036(18)
C18 0.0406(19) 0.0459(18) 0.046(2) 0.0007(15) 0.0060(17) 0.0080(19)
C19 0.0348(16) 0.0390(17) 0.0388(18) -0.0006(16) 0.0031(14) 0.0094(17)
C20 0.0429(18) 0.0383(18) 0.051(2) 0.0005(15) 0.0049(16) 0.0108(17)
C21 0.057(2) 0.040(2) 0.045(2) 0.0049(16) 0.0146(17) 0.0066(16)
C22 0.0488(19) 0.0506(19) 0.053(2) -0.0040(18) 0.0090(17) 0.0012(19)
C23 0.061(2) 0.060(2) 0.054(2) -0.0017(18) 0.0209(19) -0.0022(19)
C24 0.068(2) 0.064(2) 0.049(2) 0.006(2) 0.0162(19) -0.001(2)
C25 0.064(2) 0.089(3) 0.047(2) 0.012(2) 0.0043(19) 0.012(2)
C26 0.0414(19) 0.079(3) 0.053(2) 0.0098(18) 0.0056(17) 0.022(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Zn O2 1.910(2) y
Zn O1 1.922(2) y
Zn N2 2.015(2) y
Zn N1 2.019(2) y
Cl1 C17 1.738(3) ?
Cl2 C4 1.733(3) ?
O1 C14 1.320(3) ?
O2 C1 1.302(3) ?
N1 C20 1.274(3) ?
N1 C21 1.480(3) ?
N2 C7 1.276(3) ?
N2 C8 1.473(3) ?
C1 C2 1.419(4) ?
C1 C6 1.421(4) ?
C2 C3 1.354(4) ?
C2 H2 0.93 ?
C3 C4 1.385(4) ?
C3 H3 0.93 ?
C4 C5 1.376(4) ?
C5 C6 1.404(4) ?
C5 H5 0.93 ?
C6 C7 1.444(4) ?
C7 H7 0.93 ?
C8 C9 1.513(4) ?
C8 C13 1.515(4) ?
C8 H8 0.98 ?
C9 C10 1.522(4) ?
C9 H9A 0.97 ?
C9 H9B 0.97 ?
C10 C11 1.501(4) ?
C10 H10A 0.97 ?
C10 H10B 0.97 ?
C11 C12 1.512(4) ?
C11 H11A 0.97 ?
C11 H11B 0.97 ?
C12 C13 1.524(4) ?
C12 H12A 0.97 ?
C12 H12B 0.97 ?
C13 H13A 0.97 ?
C13 H13B 0.97 ?
C14 C19 1.406(4) ?
C14 C15 1.422(4) ?
C15 C16 1.358(4) ?
C15 H15 0.93 ?
C16 C17 1.376(4) ?
C16 H16 0.93 ?
C17 C18 1.370(4) ?
C18 C19 1.403(4) ?
C18 H18 0.93 ?
C19 C20 1.455(4) ?
C20 H20 0.93 ?
C21 C26 1.515(4) ?
C21 C22 1.523(4) ?
C21 H21 0.98 ?
C22 C23 1.524(4) ?
C22 H22A 0.97 ?
C22 H22B 0.97 ?
C23 C24 1.510(4) ?
C23 H23A 0.97 ?
C23 H23B 0.97 ?
C24 C25 1.520(4) ?
C24 H24A 0.97 ?
C24 H24B 0.97 ?
C25 C26 1.528(4) ?
C25 H25A 0.97 ?
C25 H25B 0.97 ?
C26 H26A 0.97 ?
C26 H26B 0.97 ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
O2 Zn O1 120.24(9) y
O2 Zn N2 95.61(9) y
O1 Zn N2 112.72(9) y
O2 Zn N1 113.23(9) y
O1 Zn N1 94.72(9) y
N2 Zn N1 122.35(9) y
C14 O1 Zn 122.25(18) ?
C1 O2 Zn 124.50(19) ?
C20 N1 C21 118.6(2) ?
C20 N1 Zn 120.8(2) ?
C21 N1 Zn 120.56(18) ?
C7 N2 C8 117.0(2) ?
C7 N2 Zn 120.7(2) ?
C8 N2 Zn 122.27(19) ?
O2 C1 C2 119.0(3) ?
O2 C1 C6 124.8(3) ?
C2 C1 C6 116.2(3) ?
C3 C2 C1 122.3(3) ?
C3 C2 H2 118.9 ?
C1 C2 H2 118.9 ?
C2 C3 C4 121.2(3) ?
C2 C3 H3 119.4 ?
C4 C3 H3 119.4 ?
C5 C4 C3 118.9(3) ?
C5 C4 Cl2 120.3(3) ?
C3 C4 Cl2 120.8(3) ?
C4 C5 C6 121.3(3) ?
C4 C5 H5 119.4 ?
C6 C5 H5 119.4 ?
C5 C6 C1 120.0(3) ?
C5 C6 C7 115.9(3) ?
C1 C6 C7 124.0(3) ?
N2 C7 C6 127.8(3) ?
N2 C7 H7 116.1 ?
C6 C7 H7 116.1 ?
N2 C8 C9 110.4(2) ?
N2 C8 C13 109.5(2) ?
C9 C8 C13 111.3(3) ?
N2 C8 H8 108.5 ?
C9 C8 H8 108.5 ?
C13 C8 H8 108.5 ?
C8 C9 C10 110.5(3) ?
C8 C9 H9A 109.5 ?
C10 C9 H9A 109.5 ?
C8 C9 H9B 109.5 ?
C10 C9 H9B 109.5 ?
H9A C9 H9B 108.1 ?
C11 C10 C9 111.4(3) ?
C11 C10 H10A 109.3 ?
C9 C10 H10A 109.3 ?
C11 C10 H10B 109.3 ?
C9 C10 H10B 109.3 ?
H10A C10 H10B 108.0 ?
C10 C11 C12 110.9(3) ?
C10 C11 H11A 109.5 ?
C12 C11 H11A 109.5 ?
C10 C11 H11B 109.5 ?
C12 C11 H11B 109.5 ?
H11A C11 H11B 108.1 ?
C11 C12 C13 110.8(3) ?
C11 C12 H12A 109.5 ?
C13 C12 H12A 109.5 ?
C11 C12 H12B 109.5 ?
C13 C12 H12B 109.5 ?
H12A C12 H12B 108.1 ?
C8 C13 C12 111.7(3) ?
C8 C13 H13A 109.3 ?
C12 C13 H13A 109.3 ?
C8 C13 H13B 109.3 ?
C12 C13 H13B 109.3 ?
H13A C13 H13B 107.9 ?
O1 C14 C19 125.4(3) ?
O1 C14 C15 118.1(3) ?
C19 C14 C15 116.4(3) ?
C16 C15 C14 122.2(3) ?
C16 C15 H15 118.9 ?
C14 C15 H15 118.9 ?
C15 C16 C17 120.5(3) ?
C15 C16 H16 119.8 ?
C17 C16 H16 119.8 ?
C18 C17 C16 119.9(3) ?
C18 C17 Cl1 121.1(3) ?
C16 C17 Cl1 119.1(3) ?
C17 C18 C19 120.8(3) ?
C17 C18 H18 119.6 ?
C19 C18 H18 119.6 ?
C18 C19 C14 120.2(3) ?
C18 C19 C20 116.3(3) ?
C14 C19 C20 123.4(3) ?
N1 C20 C19 127.3(3) ?
N1 C20 H20 116.4 ?
C19 C20 H20 116.4 ?
N1 C21 C26 109.2(2) ?
N1 C21 C22 109.0(2) ?
C26 C21 C22 111.9(2) ?
N1 C21 H21 108.9 ?
C26 C21 H21 108.9 ?
C22 C21 H21 108.9 ?
C21 C22 C23 110.5(3) ?
C21 C22 H22A 109.6 ?
C23 C22 H22A 109.6 ?
C21 C22 H22B 109.6 ?
C23 C22 H22B 109.6 ?
H22A C22 H22B 108.1 ?
C24 C23 C22 110.6(3) ?
C24 C23 H23A 109.5 ?
C22 C23 H23A 109.5 ?
C24 C23 H23B 109.5 ?
C22 C23 H23B 109.5 ?
H23A C23 H23B 108.1 ?
C23 C24 C25 110.7(3) ?
C23 C24 H24A 109.5 ?
C25 C24 H24A 109.5 ?
C23 C24 H24B 109.5 ?
C25 C24 H24B 109.5 ?
H24A C24 H24B 108.1 ?
C24 C25 C26 110.8(3) ?
C24 C25 H25A 109.5 ?
C26 C25 H25A 109.5 ?
C24 C25 H25B 109.5 ?
C26 C25 H25B 109.5 ?
H25A C25 H25B 108.1 ?
C21 C26 C25 111.5(3) ?
C21 C26 H26A 109.3 ?
C25 C26 H26A 109.3 ?
C21 C26 H26B 109.3 ?
C25 C26 H26B 109.3 ?
H26A C26 H26B 108.0 ?
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
O2 Zn O1 C14 147.1(2)
N2 Zn O1 C14 -101.4(2)
N1 Zn O1 C14 26.7(2)
O1 Zn O2 C1 138.6(2)
N2 Zn O2 C1 18.1(2)
N1 Zn O2 C1 -110.7(2)
O2 Zn N1 C20 -142.6(2)
O1 Zn N1 C20 -16.8(2)
N2 Zn N1 C20 103.9(2)
O2 Zn N1 C21 36.5(2)
O1 Zn N1 C21 162.3(2)
N2 Zn N1 C21 -77.0(2)
O2 Zn N2 C7 -10.4(2)
O1 Zn N2 C7 -136.6(2)
N1 Zn N2 C7 111.7(2)
O2 Zn N2 C8 167.9(2)
O1 Zn N2 C8 41.8(2)
N1 Zn N2 C8 -70.0(2)
Zn O2 C1 C2 164.6(2)
Zn O2 C1 C6 -16.3(4)
O2 C1 C2 C3 174.5(3)
C6 C1 C2 C3 -4.6(5)
C1 C2 C3 C4 2.9(5)
C2 C3 C4 C5 -0.1(5)
C2 C3 C4 Cl2 -179.0(3)
C3 C4 C5 C6 -0.8(5)
Cl2 C4 C5 C6 178.2(2)
C4 C5 C6 C1 -1.1(4)
C4 C5 C6 C7 -178.6(3)
O2 C1 C6 C5 -175.4(3)
C2 C1 C6 C5 3.7(4)
O2 C1 C6 C7 1.8(5)
C2 C1 C6 C7 -179.1(3)
C8 N2 C7 C6 -177.7(3)
Zn N2 C7 C6 0.7(4)
C5 C6 C7 N2 -176.1(3)
C1 C6 C7 N2 6.6(5)
C7 N2 C8 C9 -133.9(3)
Zn N2 C8 C9 47.6(3)
C7 N2 C8 C13 103.2(3)
Zn N2 C8 C13 -75.3(3)
N2 C8 C9 C10 -176.8(2)
C13 C8 C9 C10 -55.0(3)
C8 C9 C10 C11 56.7(4)
C9 C10 C11 C12 -57.4(4)
C10 C11 C12 C13 56.0(4)
N2 C8 C13 C12 176.9(3)
C9 C8 C13 C12 54.6(4)
C11 C12 C13 C8 -54.8(4)
Zn O1 C14 C19 -22.5(4)
Zn O1 C14 C15 158.2(2)
O1 C14 C15 C16 179.1(3)
C19 C14 C15 C16 -0.3(4)
C14 C15 C16 C17 -0.3(5)
C15 C16 C17 C18 -0.6(5)
C15 C16 C17 Cl1 178.9(2)
C16 C17 C18 C19 2.0(4)
Cl1 C17 C18 C19 -177.5(2)
C17 C18 C19 C14 -2.6(4)
C17 C18 C19 C20 179.3(3)
O1 C14 C19 C18 -177.6(3)
C15 C14 C19 C18 1.7(4)
O1 C14 C19 C20 0.4(5)
C15 C14 C19 C20 179.7(3)
C21 N1 C20 C19 -177.3(3)
Zn N1 C20 C19 1.8(4)
C18 C19 C20 N1 -170.9(3)
C14 C19 C20 N1 11.0(5)
C20 N1 C21 C26 108.4(3)
Zn N1 C21 C26 -70.7(3)
C20 N1 C21 C22 -129.1(3)
Zn N1 C21 C22 51.8(3)
N1 C21 C22 C23 -175.8(2)
C26 C21 C22 C23 -55.0(3)
C21 C22 C23 C24 57.3(4)
C22 C23 C24 C25 -58.7(4)
C23 C24 C25 C26 56.9(4)
N1 C21 C26 C25 174.5(2)
C22 C21 C26 C25 53.7(4)
C24 C25 C26 C21 -54.3(4)
_cod_database_code 2206659