#------------------------------------------------------------------------------
#$Date: 2022-11-16 10:46:22 +0200 (Wed, 16 Nov 2022) $
#$Revision: 279312 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/61/8106108.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_8106108
loop_
_publ_author_name
'Liguo, Yang'
'Xin, Wang'
'Qingyun, Liu'
'Nana, Liu'
'Yuqiang, Dai'
_publ_section_title
;
 Crystal structure of
 dichlorido[1,1′-bis(diphenylphosphanyl)ferrocene-κ2
 P,P′]zinc(II), C34H28FeCl2P2Zn
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              229
_journal_page_last               231
_journal_paper_doi               10.1515/ncrs-2017-0234
_journal_volume                  233
_journal_year                    2018
_chemical_formula_sum            'C34 H28 Cl2 Fe P2 Zn'
_chemical_formula_weight         690.62
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_cell_angle_alpha                95.8740(10)
_cell_angle_beta                 99.9350(10)
_cell_angle_gamma                115.596(2)
_cell_formula_units_Z            2
_cell_length_a                   9.6794(11)
_cell_length_b                   9.7989(10)
_cell_length_c                   18.2141(19)
_cell_measurement_reflns_used    3184
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.3835
_cell_measurement_theta_min      2.3155
_cell_volume                     1503.9(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0243
_diffrn_reflns_av_sigmaI/netI    0.0530
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7846
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    1.587
_exptl_absorpt_correction_T_max  0.7316
_exptl_absorpt_correction_T_min  0.5042
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.403
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5214
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0362
_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)+(0.0473P)²+0.3161P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0964
_reflns_number_gt                3878
_reflns_number_total             5214
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2017-0234_suppl.cif
_cod_data_source_block           100408m
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8106108
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
Zn1 Zn 0.84907(4) 0.58543(5) 0.74651(2) 0.02807(13) Uani 1 1 d . . .
P1 P 0.77899(10) 0.32364(10) 0.68975(5) 0.0254(2) Uani 1 1 d . . .
P2 P 1.13058(10) 0.71277(10) 0.79838(5) 0.0278(2) Uani 1 1 d . . .
Fe1 Fe 1.15413(5) 0.47942(6) 0.64939(3) 0.02907(15) Uani 1 1 d . . .
Cl1 Cl 0.83926(11) 0.71825(11) 0.65338(5) 0.0403(2) Uani 1 1 d . . .
Cl2 Cl 0.71055(12) 0.59425(11) 0.83123(6) 0.0446(3) Uani 1 1 d . . .
C1 C 1.2303(4) 0.6776(4) 0.73006(19) 0.0285(8) Uani 1 1 d . . .
C2 C 1.3417(4) 0.6173(4) 0.7396(2) 0.0357(9) Uani 1 1 d . . .
H2 H 1.3740 0.5855 0.7828 0.043 Uiso 1 1 calc R . .
C3 C 1.3938(4) 0.6146(5) 0.6724(2) 0.0440(10) Uani 1 1 d . . .
H3 H 1.4677 0.5818 0.6637 0.053 Uiso 1 1 calc R . .
C4 C 1.3150(4) 0.6700(4) 0.6202(2) 0.0418(10) Uani 1 1 d . . .
H4 H 1.3282 0.6802 0.5713 0.050 Uiso 1 1 calc R . .
C5 C 1.2129(4) 0.7073(4) 0.6550(2) 0.0355(9) Uani 1 1 d . . .
H5 H 1.1459 0.7447 0.6327 0.043 Uiso 1 1 calc R . .
C6 C 0.9257(4) 0.3138(4) 0.6424(2) 0.0295(8) Uani 1 1 d . . .
C7 C 0.9454(4) 0.3506(4) 0.5701(2) 0.0367(9) Uani 1 1 d . . .
H7 H 0.8898 0.3905 0.5401 0.044 Uiso 1 1 calc R . .
C8 C 1.0643(5) 0.3161(5) 0.5518(2) 0.0483(11) Uani 1 1 d . . .
H8 H 1.0996 0.3282 0.5074 0.058 Uiso 1 1 calc R . .
C9 C 1.1199(5) 0.2608(5) 0.6118(3) 0.0482(11) Uani 1 1 d . . .
H9 H 1.1984 0.2296 0.6140 0.058 Uiso 1 1 calc R . .
C10 C 1.0381(4) 0.2601(4) 0.6683(2) 0.0396(9) Uani 1 1 d . . .
H10 H 1.0539 0.2301 0.7145 0.048 Uiso 1 1 calc R . .
C11 C 0.5946(4) 0.2352(4) 0.61539(19) 0.0279(8) Uani 1 1 d . . .
C12 C 0.5664(4) 0.3273(4) 0.5679(2) 0.0380(9) Uani 1 1 d . . .
H12 H 0.6398 0.4304 0.5749 0.046 Uiso 1 1 calc R . .
C13 C 0.4292(4) 0.2663(5) 0.5102(2) 0.0438(10) Uani 1 1 d . . .
H13 H 0.4118 0.3285 0.4783 0.053 Uiso 1 1 calc R . .
C14 C 0.3201(4) 0.1157(5) 0.5000(2) 0.0434(10) Uani 1 1 d . . .
H14 H 0.2286 0.0750 0.4612 0.052 Uiso 1 1 calc R . .
C15 C 0.3458(5) 0.0249(5) 0.5472(2) 0.0525(12) Uani 1 1 d . . .
H15 H 0.2704 -0.0774 0.5409 0.063 Uiso 1 1 calc R . .
C16 C 0.4831(4) 0.0836(4) 0.6044(2) 0.0425(10) Uani 1 1 d . . .
H16 H 0.5000 0.0201 0.6355 0.051 Uiso 1 1 calc R . .
C17 C 0.7581(4) 0.1911(4) 0.75466(19) 0.0268(8) Uani 1 1 d . . .
C18 C 0.7492(4) 0.2336(4) 0.8278(2) 0.0335(9) Uani 1 1 d . . .
H18 H 0.7505 0.3279 0.8426 0.040 Uiso 1 1 calc R . .
C19 C 0.7384(5) 0.1362(4) 0.8793(2) 0.0414(10) Uani 1 1 d . . .
H19 H 0.7351 0.1663 0.9288 0.050 Uiso 1 1 calc R . .
C20 C 0.7327(4) -0.0049(5) 0.8567(2) 0.0432(10) Uani 1 1 d . . .
H20 H 0.7263 -0.0697 0.8913 0.052 Uiso 1 1 calc R . .
C21 C 0.7364(4) -0.0507(4) 0.7837(2) 0.0412(10) Uani 1 1 d . . .
H21 H 0.7295 -0.1475 0.7685 0.049 Uiso 1 1 calc R . .
C22 C 0.7504(4) 0.0471(4) 0.7324(2) 0.0355(9) Uani 1 1 d . . .
H22 H 0.7548 0.0166 0.6832 0.043 Uiso 1 1 calc R . .
C23 C 1.1973(4) 0.9205(4) 0.8162(2) 0.0324(8) Uani 1 1 d . . .
C24 C 1.3144(5) 1.0235(5) 0.7881(2) 0.0477(11) Uani 1 1 d . . .
H24 H 1.3682 0.9886 0.7598 0.057 Uiso 1 1 calc R . .
C25 C 1.3533(5) 1.1784(5) 0.8014(3) 0.0560(12) Uani 1 1 d . . .
H25 H 1.4336 1.2475 0.7826 0.067 Uiso 1 1 calc R . .
C26 C 1.2734(5) 1.2301(5) 0.8424(3) 0.0579(13) Uani 1 1 d . . .
H26 H 1.2983 1.3342 0.8506 0.069 Uiso 1 1 calc R . .
C27 C 1.1573(5) 1.1294(5) 0.8714(3) 0.0614(13) Uani 1 1 d . . .
H27 H 1.1050 1.1656 0.9001 0.074 Uiso 1 1 calc R . .
C28 C 1.1174(5) 0.9742(5) 0.8580(2) 0.0497(11) Uani 1 1 d . . .
H28 H 1.0370 0.9056 0.8769 0.060 Uiso 1 1 calc R . .
C29 C 1.3781(5) 0.7684(6) 0.9208(2) 0.0581(13) Uani 1 1 d . . .
H29 H 1.4372 0.8558 0.9030 0.070 Uiso 1 1 calc R . .
C30 C 1.4468(5) 0.7313(6) 0.9833(2) 0.0666(15) Uani 1 1 d . . .
H30 H 1.5523 0.7950 1.0076 0.080 Uiso 1 1 calc R . .
C31 C 1.3627(5) 0.6026(6) 1.0099(2) 0.0526(12) Uani 1 1 d . . .
H31 H 1.4115 0.5771 1.0510 0.063 Uiso 1 1 calc R . .
C32 C 1.2064(6) 0.5114(5) 0.9758(2) 0.0534(12) Uani 1 1 d . . .
H32 H 1.1476 0.4251 0.9945 0.064 Uiso 1 1 calc R . .
C33 C 1.1355(5) 0.5482(5) 0.9131(2) 0.0455(10) Uani 1 1 d . . .
H33 H 1.0290 0.4861 0.8900 0.055 Uiso 1 1 calc R . .
C34 C 1.2209(4) 0.6751(4) 0.88487(19) 0.0300(8) 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'
P P 0.1023 0.0942 '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'
Fe Fe 0.3463 0.8444 '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
Cl2 Zn1 Cl1 115.67(4) . .
Cl2 Zn1 P2 113.92(4) . .
Cl1 Zn1 P2 98.62(4) . .
Cl2 Zn1 P1 111.96(4) . .
Cl1 Zn1 P1 108.96(4) . .
P2 Zn1 P1 106.63(3) . .
C6 P1 C17 104.34(16) . .
C6 P1 C11 104.78(16) . .
C17 P1 C11 106.60(16) . .
C6 P1 Zn1 111.96(12) . .
C17 P1 Zn1 115.96(11) . .
C11 P1 Zn1 112.29(11) . .
C1 P2 C34 103.68(16) . .
C1 P2 C23 105.62(17) . .
C34 P2 C23 105.43(16) . .
C1 P2 Zn1 110.74(11) . .
C34 P2 Zn1 122.04(12) . .
C23 P2 Zn1 108.12(11) . .
C5 Fe1 C8 125.35(17) . .
C5 Fe1 C4 40.47(14) . .
C8 Fe1 C4 103.47(16) . .
C5 Fe1 C9 161.22(16) . .
C8 Fe1 C9 39.99(17) . .
C4 Fe1 C9 123.06(16) . .
C5 Fe1 C7 108.68(15) . .
C8 Fe1 C7 40.48(15) . .
C4 Fe1 C7 116.25(16) . .
C9 Fe1 C7 67.71(17) . .
C5 Fe1 C10 157.59(15) . .
C8 Fe1 C10 67.57(17) . .
C4 Fe1 C10 161.66(15) . .
C9 Fe1 C10 40.03(15) . .
C7 Fe1 C10 68.07(16) . .
C5 Fe1 C3 68.03(16) . .
C8 Fe1 C3 113.91(16) . .
C4 Fe1 C3 40.35(15) . .
C9 Fe1 C3 104.82(16) . .
C7 Fe1 C3 148.33(15) . .
C10 Fe1 C3 126.89(16) . .
C5 Fe1 C2 68.26(15) . .
C8 Fe1 C2 148.73(15) . .
C4 Fe1 C2 67.75(16) . .
C9 Fe1 C2 118.19(16) . .
C7 Fe1 C2 170.49(14) . .
C10 Fe1 C2 111.07(16) . .
C3 Fe1 C2 40.00(14) . .
C5 Fe1 C1 40.57(14) . .
C8 Fe1 C1 165.36(16) . .
C4 Fe1 C1 67.89(15) . .
C9 Fe1 C1 154.64(16) . .
C7 Fe1 C1 131.36(14) . .
C10 Fe1 C1 124.06(15) . .
C3 Fe1 C1 67.76(14) . .
C2 Fe1 C1 40.63(13) . .
C5 Fe1 C6 122.40(14) . .
C8 Fe1 C6 67.85(15) . .
C4 Fe1 C6 152.70(15) . .
C9 Fe1 C6 67.71(15) . .
C7 Fe1 C6 40.44(14) . .
C10 Fe1 C6 40.64(13) . .
C3 Fe1 C6 166.93(16) . .
C2 Fe1 C6 132.84(15) . .
C1 Fe1 C6 114.09(13) . .
C5 C1 C2 107.1(3) . .
C5 C1 P2 125.2(3) . .
C2 C1 P2 127.7(3) . .
C5 C1 Fe1 68.6(2) . .
C2 C1 Fe1 69.2(2) . .
P2 C1 Fe1 127.82(18) . .
C3 C2 C1 108.2(3) . .
C3 C2 Fe1 69.9(2) . .
C1 C2 Fe1 70.22(19) . .
C3 C2 H2 125.9 . .
C1 C2 H2 125.9 . .
Fe1 C2 H2 125.6 . .
C2 C3 C4 108.3(3) . .
C2 C3 Fe1 70.1(2) . .
C4 C3 Fe1 69.5(2) . .
C2 C3 H3 125.8 . .
C4 C3 H3 125.8 . .
Fe1 C3 H3 126.2 . .
C5 C4 C3 108.3(3) . .
C5 C4 Fe1 69.6(2) . .
C3 C4 Fe1 70.2(2) . .
C5 C4 H4 125.9 . .
C3 C4 H4 125.9 . .
Fe1 C4 H4 125.9 . .
C4 C5 C1 108.1(3) . .
C4 C5 Fe1 69.9(2) . .
C1 C5 Fe1 70.8(2) . .
C4 C5 H5 125.9 . .
C1 C5 H5 125.9 . .
Fe1 C5 H5 124.9 . .
C7 C6 C10 106.7(3) . .
C7 C6 P1 126.3(3) . .
C10 C6 P1 126.9(3) . .
C7 C6 Fe1 68.6(2) . .
C10 C6 Fe1 68.7(2) . .
P1 C6 Fe1 129.87(18) . .
C8 C7 C6 108.1(3) . .
C8 C7 Fe1 69.6(2) . .
C6 C7 Fe1 70.9(2) . .
C8 C7 H7 126.0 . .
C6 C7 H7 126.0 . .
Fe1 C7 H7 125.1 . .
C9 C8 C7 108.3(4) . .
C9 C8 Fe1 70.2(2) . .
C7 C8 Fe1 69.9(2) . .
C9 C8 H8 125.8 . .
C7 C8 H8 125.8 . .
Fe1 C8 H8 125.6 . .
C8 C9 C10 108.7(3) . .
C8 C9 Fe1 69.8(2) . .
C10 C9 Fe1 70.2(2) . .
C8 C9 H9 125.6 . .
C10 C9 H9 125.6 . .
Fe1 C9 H9 125.9 . .
C9 C10 C6 108.1(4) . .
C9 C10 Fe1 69.8(2) . .
C6 C10 Fe1 70.6(2) . .
C9 C10 H10 125.9 . .
C6 C10 H10 125.9 . .
Fe1 C10 H10 125.2 . .
C16 C11 C12 118.5(3) . .
C16 C11 P1 123.7(3) . .
C12 C11 P1 117.8(3) . .
C11 C12 C13 120.4(4) . .
C11 C12 H12 119.8 . .
C13 C12 H12 119.8 . .
C14 C13 C12 120.3(4) . .
C14 C13 H13 119.9 . .
C12 C13 H13 119.9 . .
C13 C14 C15 119.7(3) . .
C13 C14 H14 120.2 . .
C15 C14 H14 120.2 . .
C14 C15 C16 120.6(4) . .
C14 C15 H15 119.7 . .
C16 C15 H15 119.7 . .
C11 C16 C15 120.5(4) . .
C11 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C18 C17 C22 119.2(3) . .
C18 C17 P1 119.4(3) . .
C22 C17 P1 121.5(3) . .
C17 C18 C19 120.4(3) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
C20 C19 C18 119.7(4) . .
C20 C19 H19 120.1 . .
C18 C19 H19 120.1 . .
C21 C20 C19 120.5(4) . .
C21 C20 H20 119.7 . .
C19 C20 H20 119.7 . .
C20 C21 C22 120.1(3) . .
C20 C21 H21 120.0 . .
C22 C21 H21 120.0 . .
C21 C22 C17 120.0(4) . .
C21 C22 H22 120.0 . .
C17 C22 H22 120.0 . .
C24 C23 C28 119.0(4) . .
C24 C23 P2 124.3(3) . .
C28 C23 P2 116.6(3) . .
C23 C24 C25 120.7(4) . .
C23 C24 H24 119.6 . .
C25 C24 H24 119.6 . .
C26 C25 C24 119.8(4) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C27 C26 C25 120.3(4) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C26 C27 C28 120.2(4) . .
C26 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C27 C28 C23 120.0(4) . .
C27 C28 H28 120.0 . .
C23 C28 H28 120.0 . .
C30 C29 C34 119.7(4) . .
C30 C29 H29 120.1 . .
C34 C29 H29 120.1 . .
C31 C30 C29 121.1(4) . .
C31 C30 H30 119.5 . .
C29 C30 H30 119.5 . .
C30 C31 C32 119.7(4) . .
C30 C31 H31 120.1 . .
C32 C31 H31 120.1 . .
C31 C32 C33 119.7(4) . .
C31 C32 H32 120.1 . .
C33 C32 H32 120.1 . .
C34 C33 C32 120.7(4) . .
C34 C33 H33 119.7 . .
C32 C33 H33 119.7 . .
C33 C34 C29 119.0(3) . .
C33 C34 P2 120.1(3) . .
C29 C34 P2 120.8(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 Cl2 2.2301(10) .
Zn1 Cl1 2.2546(10) .
Zn1 P2 2.4097(10) .
Zn1 P1 2.4128(10) .
P1 C6 1.815(3) .
P1 C17 1.815(3) .
P1 C11 1.833(3) .
P2 C1 1.793(3) .
P2 C34 1.818(3) .
P2 C23 1.822(4) .
Fe1 C5 2.038(4) .
Fe1 C8 2.039(4) .
Fe1 C4 2.042(4) .
Fe1 C9 2.043(4) .
Fe1 C7 2.044(4) .
Fe1 C10 2.048(4) .
Fe1 C3 2.052(4) .
Fe1 C2 2.054(4) .
Fe1 C1 2.068(3) .
Fe1 C6 2.074(3) .
C1 C5 1.424(5) .
C1 C2 1.431(5) .
C2 C3 1.404(5) .
C2 H2 0.9300 .
C3 C4 1.412(5) .
C3 H3 0.9300 .
C4 C5 1.411(5) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.423(5) .
C6 C10 1.432(5) .
C7 C8 1.412(5) .
C7 H7 0.9300 .
C8 C9 1.396(6) .
C8 H8 0.9300 .
C9 C10 1.400(5) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C16 1.375(5) .
C11 C12 1.388(5) .
C12 C13 1.390(5) .
C12 H12 0.9300 .
C13 C14 1.363(5) .
C13 H13 0.9300 .
C14 C15 1.366(5) .
C14 H14 0.9300 .
C15 C16 1.386(5) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.382(5) .
C17 C22 1.394(5) .
C18 C19 1.390(5) .
C18 H18 0.9300 .
C19 C20 1.376(5) .
C19 H19 0.9300 .
C20 C21 1.371(5) .
C20 H20 0.9300 .
C21 C22 1.387(5) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.372(5) .
C23 C28 1.388(5) .
C24 C25 1.380(6) .
C24 H24 0.9300 .
C25 C26 1.368(6) .
C25 H25 0.9300 .
C26 C27 1.367(6) .
C26 H26 0.9300 .
C27 C28 1.381(6) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C30 1.379(6) .
C29 C34 1.383(5) .
C29 H29 0.9300 .
C30 C31 1.364(6) .
C30 H30 0.9300 .
C31 C32 1.367(6) .
C31 H31 0.9300 .
C32 C33 1.391(5) .
C32 H32 0.9300 .
C33 C34 1.372(5) .
C33 H33 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
Cl2 Zn1 P1 C6 -163.68(13) . . . .
Cl1 Zn1 P1 C6 67.09(13) . . . .
P2 Zn1 P1 C6 -38.46(13) . . . .
Cl2 Zn1 P1 C17 -44.12(12) . . . .
Cl1 Zn1 P1 C17 -173.35(12) . . . .
P2 Zn1 P1 C17 81.10(12) . . . .
Cl2 Zn1 P1 C11 78.76(13) . . . .
Cl1 Zn1 P1 C11 -50.46(13) . . . .
P2 Zn1 P1 C11 -156.01(12) . . . .
Cl2 Zn1 P2 C1 172.14(13) . . . .
Cl1 Zn1 P2 C1 -64.73(13) . . . .
P1 Zn1 P2 C1 48.12(13) . . . .
Cl2 Zn1 P2 C34 49.77(14) . . . .
Cl1 Zn1 P2 C34 172.90(14) . . . .
P1 Zn1 P2 C34 -74.25(14) . . . .
Cl2 Zn1 P2 C23 -72.59(13) . . . .
Cl1 Zn1 P2 C23 50.55(13) . . . .
P1 Zn1 P2 C23 163.39(13) . . . .
C34 P2 C1 C5 -173.0(3) . . . .
C23 P2 C1 C5 -62.4(3) . . . .
Zn1 P2 C1 C5 54.5(3) . . . .
C34 P2 C1 C2 6.3(4) . . . .
C23 P2 C1 C2 116.9(3) . . . .
Zn1 P2 C1 C2 -126.3(3) . . . .
C34 P2 C1 Fe1 98.0(2) . . . .
C23 P2 C1 Fe1 -151.3(2) . . . .
Zn1 P2 C1 Fe1 -34.5(2) . . . .
C8 Fe1 C1 C5 -17.9(7) . . . .
C4 Fe1 C1 C5 38.0(2) . . . .
C9 Fe1 C1 C5 159.2(3) . . . .
C7 Fe1 C1 C5 -68.2(3) . . . .
C10 Fe1 C1 C5 -157.8(2) . . . .
C3 Fe1 C1 C5 81.7(2) . . . .
C2 Fe1 C1 C5 119.1(3) . . . .
C6 Fe1 C1 C5 -112.4(2) . . . .
C5 Fe1 C1 C2 -119.1(3) . . . .
C8 Fe1 C1 C2 -137.0(5) . . . .
C4 Fe1 C1 C2 -81.1(2) . . . .
C9 Fe1 C1 C2 40.1(4) . . . .
C7 Fe1 C1 C2 172.7(2) . . . .
C10 Fe1 C1 C2 83.0(3) . . . .
C3 Fe1 C1 C2 -37.4(2) . . . .
C6 Fe1 C1 C2 128.5(2) . . . .
C5 Fe1 C1 P2 118.7(3) . . . .
C8 Fe1 C1 P2 100.8(6) . . . .
C4 Fe1 C1 P2 156.7(3) . . . .
C9 Fe1 C1 P2 -82.1(4) . . . .
C7 Fe1 C1 P2 50.5(3) . . . .
C10 Fe1 C1 P2 -39.2(3) . . . .
C3 Fe1 C1 P2 -159.6(3) . . . .
C2 Fe1 C1 P2 -122.2(3) . . . .
C6 Fe1 C1 P2 6.3(3) . . . .
C5 C1 C2 C3 1.5(4) . . . .
P2 C1 C2 C3 -177.8(3) . . . .
Fe1 C1 C2 C3 59.8(3) . . . .
C5 C1 C2 Fe1 -58.3(2) . . . .
P2 C1 C2 Fe1 122.3(3) . . . .
C5 Fe1 C2 C3 -81.3(3) . . . .
C8 Fe1 C2 C3 41.6(4) . . . .
C4 Fe1 C2 C3 -37.5(2) . . . .
C9 Fe1 C2 C3 79.2(3) . . . .
C7 Fe1 C2 C3 -154.2(9) . . . .
C10 Fe1 C2 C3 122.8(2) . . . .
C1 Fe1 C2 C3 -119.0(3) . . . .
C6 Fe1 C2 C3 164.1(2) . . . .
C5 Fe1 C2 C1 37.7(2) . . . .
C8 Fe1 C2 C1 160.6(3) . . . .
C4 Fe1 C2 C1 81.5(2) . . . .
C9 Fe1 C2 C1 -161.8(2) . . . .
C7 Fe1 C2 C1 -35.2(10) . . . .
C10 Fe1 C2 C1 -118.2(2) . . . .
C3 Fe1 C2 C1 119.0(3) . . . .
C6 Fe1 C2 C1 -76.9(3) . . . .
C1 C2 C3 C4 -0.9(4) . . . .
Fe1 C2 C3 C4 59.1(3) . . . .
C1 C2 C3 Fe1 -60.0(3) . . . .
C5 Fe1 C3 C2 81.9(2) . . . .
C8 Fe1 C3 C2 -157.9(2) . . . .
C4 Fe1 C3 C2 119.5(3) . . . .
C9 Fe1 C3 C2 -116.4(2) . . . .
C7 Fe1 C3 C2 172.1(3) . . . .
C10 Fe1 C3 C2 -78.8(3) . . . .
C1 Fe1 C3 C2 38.0(2) . . . .
C6 Fe1 C3 C2 -62.9(7) . . . .
C5 Fe1 C3 C4 -37.6(2) . . . .
C8 Fe1 C3 C4 82.6(3) . . . .
C9 Fe1 C3 C4 124.1(2) . . . .
C7 Fe1 C3 C4 52.6(4) . . . .
C10 Fe1 C3 C4 161.7(2) . . . .
C2 Fe1 C3 C4 -119.5(3) . . . .
C1 Fe1 C3 C4 -81.6(2) . . . .
C6 Fe1 C3 C4 177.5(6) . . . .
C2 C3 C4 C5 -0.1(4) . . . .
Fe1 C3 C4 C5 59.4(3) . . . .
C2 C3 C4 Fe1 -59.5(3) . . . .
C8 Fe1 C4 C5 129.5(2) . . . .
C9 Fe1 C4 C5 167.8(2) . . . .
C7 Fe1 C4 C5 88.4(2) . . . .
C10 Fe1 C4 C5 -172.2(5) . . . .
C3 Fe1 C4 C5 -119.3(3) . . . .
C2 Fe1 C4 C5 -82.1(2) . . . .
C1 Fe1 C4 C5 -38.1(2) . . . .
C6 Fe1 C4 C5 61.9(4) . . . .
C5 Fe1 C4 C3 119.3(3) . . . .
C8 Fe1 C4 C3 -111.2(2) . . . .
C9 Fe1 C4 C3 -72.9(3) . . . .
C7 Fe1 C4 C3 -152.3(2) . . . .
C10 Fe1 C4 C3 -52.8(6) . . . .
C2 Fe1 C4 C3 37.2(2) . . . .
C1 Fe1 C4 C3 81.2(2) . . . .
C6 Fe1 C4 C3 -178.8(3) . . . .
C3 C4 C5 C1 1.1(4) . . . .
Fe1 C4 C5 C1 60.8(3) . . . .
C3 C4 C5 Fe1 -59.8(3) . . . .
C2 C1 C5 C4 -1.6(4) . . . .
P2 C1 C5 C4 177.8(3) . . . .
Fe1 C1 C5 C4 -60.3(3) . . . .
C2 C1 C5 Fe1 58.6(2) . . . .
P2 C1 C5 Fe1 -122.0(3) . . . .
C8 Fe1 C5 C4 -67.0(3) . . . .
C9 Fe1 C5 C4 -33.3(6) . . . .
C7 Fe1 C5 C4 -108.8(2) . . . .
C10 Fe1 C5 C4 173.5(4) . . . .
C3 Fe1 C5 C4 37.5(2) . . . .
C2 Fe1 C5 C4 80.8(2) . . . .
C1 Fe1 C5 C4 118.5(3) . . . .
C6 Fe1 C5 C4 -151.4(2) . . . .
C8 Fe1 C5 C1 174.5(2) . . . .
C4 Fe1 C5 C1 -118.5(3) . . . .
C9 Fe1 C5 C1 -151.8(4) . . . .
C7 Fe1 C5 C1 132.6(2) . . . .
C10 Fe1 C5 C1 55.0(5) . . . .
C3 Fe1 C5 C1 -81.0(2) . . . .
C2 Fe1 C5 C1 -37.8(2) . . . .
C6 Fe1 C5 C1 90.1(2) . . . .
C17 P1 C6 C7 156.5(3) . . . .
C11 P1 C6 C7 44.7(4) . . . .
Zn1 P1 C6 C7 -77.3(3) . . . .
C17 P1 C6 C10 -19.9(4) . . . .
C11 P1 C6 C10 -131.8(3) . . . .
Zn1 P1 C6 C10 106.2(3) . . . .
C17 P1 C6 Fe1 -112.0(2) . . . .
C11 P1 C6 Fe1 136.1(2) . . . .
Zn1 P1 C6 Fe1 14.1(3) . . . .
C5 Fe1 C6 C7 80.8(2) . . . .
C8 Fe1 C6 C7 -38.0(2) . . . .
C4 Fe1 C6 C7 38.1(4) . . . .
C9 Fe1 C6 C7 -81.3(2) . . . .
C10 Fe1 C6 C7 -118.9(3) . . . .
C3 Fe1 C6 C7 -138.4(6) . . . .
C2 Fe1 C6 C7 170.3(2) . . . .
C1 Fe1 C6 C7 126.2(2) . . . .
C5 Fe1 C6 C10 -160.3(2) . . . .
C8 Fe1 C6 C10 80.9(2) . . . .
C4 Fe1 C6 C10 157.0(3) . . . .
C9 Fe1 C6 C10 37.5(2) . . . .
C7 Fe1 C6 C10 118.9(3) . . . .
C3 Fe1 C6 C10 -19.6(7) . . . .
C2 Fe1 C6 C10 -70.9(3) . . . .
C1 Fe1 C6 C10 -114.9(2) . . . .
C5 Fe1 C6 P1 -39.3(3) . . . .
C8 Fe1 C6 P1 -158.1(3) . . . .
C4 Fe1 C6 P1 -82.0(4) . . . .
C9 Fe1 C6 P1 158.6(3) . . . .
C7 Fe1 C6 P1 -120.1(3) . . . .
C10 Fe1 C6 P1 121.0(4) . . . .
C3 Fe1 C6 P1 101.5(6) . . . .
C2 Fe1 C6 P1 50.1(3) . . . .
C1 Fe1 C6 P1 6.1(3) . . . .
C10 C6 C7 C8 1.5(4) . . . .
P1 C6 C7 C8 -175.6(3) . . . .
Fe1 C6 C7 C8 59.9(3) . . . .
C10 C6 C7 Fe1 -58.4(3) . . . .
P1 C6 C7 Fe1 124.5(3) . . . .
C5 Fe1 C7 C8 123.0(3) . . . .
C4 Fe1 C7 C8 79.8(3) . . . .
C9 Fe1 C7 C8 -37.3(3) . . . .
C10 Fe1 C7 C8 -80.7(3) . . . .
C3 Fe1 C7 C8 44.8(4) . . . .
C2 Fe1 C7 C8 -167.4(9) . . . .
C1 Fe1 C7 C8 162.6(2) . . . .
C6 Fe1 C7 C8 -118.6(3) . . . .
C5 Fe1 C7 C6 -118.4(2) . . . .
C8 Fe1 C7 C6 118.6(3) . . . .
C4 Fe1 C7 C6 -161.6(2) . . . .
C9 Fe1 C7 C6 81.3(2) . . . .
C10 Fe1 C7 C6 37.9(2) . . . .
C3 Fe1 C7 C6 163.4(3) . . . .
C2 Fe1 C7 C6 -48.8(10) . . . .
C1 Fe1 C7 C6 -78.8(3) . . . .
C6 C7 C8 C9 -0.8(4) . . . .
Fe1 C7 C8 C9 59.9(3) . . . .
C6 C7 C8 Fe1 -60.8(3) . . . .
C5 Fe1 C8 C9 163.9(2) . . . .
C4 Fe1 C8 C9 126.0(2) . . . .
C7 Fe1 C8 C9 -119.2(4) . . . .
C10 Fe1 C8 C9 -37.2(2) . . . .
C3 Fe1 C8 C9 84.7(3) . . . .
C2 Fe1 C8 C9 56.8(4) . . . .
C1 Fe1 C8 C9 178.1(5) . . . .
C6 Fe1 C8 C9 -81.3(2) . . . .
C5 Fe1 C8 C7 -76.9(3) . . . .
C4 Fe1 C8 C7 -114.8(3) . . . .
C9 Fe1 C8 C7 119.2(4) . . . .
C10 Fe1 C8 C7 82.0(2) . . . .
C3 Fe1 C8 C7 -156.1(2) . . . .
C2 Fe1 C8 C7 176.0(3) . . . .
C1 Fe1 C8 C7 -62.7(7) . . . .
C6 Fe1 C8 C7 37.9(2) . . . .
C7 C8 C9 C10 -0.2(5) . . . .
Fe1 C8 C9 C10 59.6(3) . . . .
C7 C8 C9 Fe1 -59.8(3) . . . .
C5 Fe1 C9 C8 -44.7(6) . . . .
C4 Fe1 C9 C8 -69.9(3) . . . .
C7 Fe1 C9 C8 37.8(2) . . . .
C10 Fe1 C9 C8 119.7(3) . . . .
C3 Fe1 C9 C8 -109.7(2) . . . .
C2 Fe1 C9 C8 -150.5(2) . . . .
C1 Fe1 C9 C8 -178.9(3) . . . .
C6 Fe1 C9 C8 81.6(2) . . . .
C5 Fe1 C9 C10 -164.5(4) . . . .
C8 Fe1 C9 C10 -119.7(3) . . . .
C4 Fe1 C9 C10 170.4(2) . . . .
C7 Fe1 C9 C10 -82.0(2) . . . .
C3 Fe1 C9 C10 130.6(2) . . . .
C2 Fe1 C9 C10 89.8(3) . . . .
C1 Fe1 C9 C10 61.4(4) . . . .
C6 Fe1 C9 C10 -38.1(2) . . . .
C8 C9 C10 C6 1.1(5) . . . .
Fe1 C9 C10 C6 60.5(3) . . . .
C8 C9 C10 Fe1 -59.4(3) . . . .
C7 C6 C10 C9 -1.6(4) . . . .
P1 C6 C10 C9 175.4(3) . . . .
Fe1 C6 C10 C9 -60.0(3) . . . .
C7 C6 C10 Fe1 58.4(3) . . . .
P1 C6 C10 Fe1 -124.6(3) . . . .
C5 Fe1 C10 C9 167.0(4) . . . .
C8 Fe1 C10 C9 37.1(2) . . . .
C4 Fe1 C10 C9 -26.5(6) . . . .
C7 Fe1 C10 C9 81.0(3) . . . .
C3 Fe1 C10 C9 -66.7(3) . . . .
C2 Fe1 C10 C9 -109.2(3) . . . .
C1 Fe1 C10 C9 -153.0(2) . . . .
C6 Fe1 C10 C9 118.8(3) . . . .
C5 Fe1 C10 C6 48.2(5) . . . .
C8 Fe1 C10 C6 -81.6(2) . . . .
C4 Fe1 C10 C6 -145.3(5) . . . .
C9 Fe1 C10 C6 -118.8(3) . . . .
C7 Fe1 C10 C6 -37.8(2) . . . .
C3 Fe1 C10 C6 174.6(2) . . . .
C2 Fe1 C10 C6 132.1(2) . . . .
C1 Fe1 C10 C6 88.2(2) . . . .
C6 P1 C11 C16 96.9(3) . . . .
C17 P1 C11 C16 -13.3(4) . . . .
Zn1 P1 C11 C16 -141.4(3) . . . .
C6 P1 C11 C12 -83.4(3) . . . .
C17 P1 C11 C12 166.4(3) . . . .
Zn1 P1 C11 C12 38.4(3) . . . .
C16 C11 C12 C13 -0.8(5) . . . .
P1 C11 C12 C13 179.5(3) . . . .
C11 C12 C13 C14 0.7(6) . . . .
C12 C13 C14 C15 0.3(6) . . . .
C13 C14 C15 C16 -1.2(6) . . . .
C12 C11 C16 C15 -0.1(6) . . . .
P1 C11 C16 C15 179.6(3) . . . .
C14 C15 C16 C11 1.1(6) . . . .
C6 P1 C17 C18 137.2(3) . . . .
C11 P1 C17 C18 -112.3(3) . . . .
Zn1 P1 C17 C18 13.6(3) . . . .
C6 P1 C17 C22 -42.9(3) . . . .
C11 P1 C17 C22 67.6(3) . . . .
Zn1 P1 C17 C22 -166.6(2) . . . .
C22 C17 C18 C19 2.3(5) . . . .
P1 C17 C18 C19 -177.9(3) . . . .
C17 C18 C19 C20 -1.6(6) . . . .
C18 C19 C20 C21 -0.5(6) . . . .
C19 C20 C21 C22 1.8(6) . . . .
C20 C21 C22 C17 -1.1(6) . . . .
C18 C17 C22 C21 -0.9(5) . . . .
P1 C17 C22 C21 179.2(3) . . . .
C1 P2 C23 C24 -7.0(4) . . . .
C34 P2 C23 C24 102.4(3) . . . .
Zn1 P2 C23 C24 -125.6(3) . . . .
C1 P2 C23 C28 169.8(3) . . . .
C34 P2 C23 C28 -80.8(3) . . . .
Zn1 P2 C23 C28 51.2(3) . . . .
C28 C23 C24 C25 0.4(6) . . . .
P2 C23 C24 C25 177.1(3) . . . .
C23 C24 C25 C26 -0.7(6) . . . .
C24 C25 C26 C27 1.2(7) . . . .
C25 C26 C27 C28 -1.4(7) . . . .
C26 C27 C28 C23 1.2(7) . . . .
C24 C23 C28 C27 -0.7(6) . . . .
P2 C23 C28 C27 -177.6(3) . . . .
C34 C29 C30 C31 0.7(7) . . . .
C29 C30 C31 C32 -2.2(7) . . . .
C30 C31 C32 C33 1.7(7) . . . .
C31 C32 C33 C34 0.1(6) . . . .
C32 C33 C34 C29 -1.5(6) . . . .
C32 C33 C34 P2 175.1(3) . . . .
C30 C29 C34 C33 1.1(6) . . . .
C30 C29 C34 P2 -175.4(4) . . . .
C1 P2 C34 C33 -110.5(3) . . . .
C23 P2 C34 C33 138.7(3) . . . .
Zn1 P2 C34 C33 15.1(4) . . . .
C1 P2 C34 C29 66.0(4) . . . .
C23 P2 C34 C29 -44.8(4) . . . .
Zn1 P2 C34 C29 -168.4(3) . . . .
