#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:46:28 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178700 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/11/4081144.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_4081144
loop_
_publ_author_name
'Jayarathne, Upul'
'Mazzacano, Thomas J.'
'Bagherzadeh, Sharareh'
'Mankad, Neal P.'
_publ_section_title
;
 Heterobimetallic Complexes with Polar, Unsupported Cu--Fe and Zn--Fe
 Bonds Stabilized by N-Heterocyclic Carbenes
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3986
_journal_paper_doi               10.1021/om400471u
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C37 H48 Cl Fe N2 O2 Zn'
_chemical_formula_weight         709.44
_chemical_name_common            (IPr)(Cl)ZnFp
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 100.4240(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5984(11)
_cell_length_b                   16.2792(16)
_cell_length_c                   20.528(2)
_cell_measurement_reflns_used    9958
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.37
_cell_measurement_theta_min      2.32
_cell_volume                     3483.3(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_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      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0218
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            38876
_diffrn_reflns_theta_full        26.74
_diffrn_reflns_theta_max         26.74
_diffrn_reflns_theta_min         1.61
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.216
_exptl_absorpt_correction_T_max  0.8387
_exptl_absorpt_correction_T_min  0.4624
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1492
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.563
_refine_diff_density_min         -0.864
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         7410
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0563P)²+4.1864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1046
_reflns_number_gt                6370
_reflns_number_total             7410
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400471u_si_005.cif
_cod_data_source_block           cnmnm11
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3483.2(6)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4081144
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Zn1 Zn 0.37678(2) 0.874376(17) 0.196609(12) 0.02039(9) Uani 1 1 d .
Cl1 Cl 0.39392(7) 0.94547(4) 0.29118(3) 0.03680(16) Uani 1 1 d .
Fe1 Fe 0.45708(3) 0.93626(2) 0.107804(16) 0.01948(9) Uani 1 1 d .
C1 C 0.3027(2) 0.76166(15) 0.20826(10) 0.0202(4) Uani 1 1 d .
C2 C 0.2774(2) 0.62424(16) 0.21486(11) 0.0241(5) Uani 1 1 d .
H2 H 0.2962 0.5671 0.2158 0.029 Uiso 1 1 calc R
C3 C 0.1654(2) 0.65942(15) 0.22084(11) 0.0229(5) Uani 1 1 d .
H3 H 0.0892 0.6319 0.2268 0.028 Uiso 1 1 calc R
C4 C 0.0917(2) 0.80527(15) 0.22973(11) 0.0198(4) Uani 1 1 d .
C5 C 0.0765(2) 0.81541(16) 0.29554(11) 0.0234(5) Uani 1 1 d .
C6 C -0.0084(2) 0.87632(17) 0.30807(12) 0.0276(5) Uani 1 1 d .
H6 H -0.0229 0.8841 0.3520 0.033 Uiso 1 1 calc R
C7 C -0.0716(2) 0.92534(17) 0.25793(13) 0.0292(5) Uani 1 1 d .
H7 H -0.1277 0.9673 0.2677 0.035 Uiso 1 1 calc R
C8 C -0.0538(2) 0.91389(16) 0.19330(12) 0.0261(5) Uani 1 1 d .
H8 H -0.0980 0.9483 0.1593 0.031 Uiso 1 1 calc R
C9 C 0.0273(2) 0.85316(15) 0.17740(11) 0.0209(5) Uani 1 1 d .
C10 C 0.1475(2) 0.76424(17) 0.35247(11) 0.0270(5) Uani 1 1 d .
H10 H 0.2075 0.7268 0.3343 0.032 Uiso 1 1 calc R
C11 C 0.0530(3) 0.71094(18) 0.38217(13) 0.0311(6) Uani 1 1 d .
H11A H -0.0123 0.7460 0.3961 0.047 Uiso 1 1 calc R
H11B H 0.0994 0.6809 0.4205 0.047 Uiso 1 1 calc R
H11C H 0.0116 0.6717 0.3488 0.047 Uiso 1 1 calc R
C12 C 0.2275(3) 0.8183(2) 0.40551(13) 0.0387(7) Uani 1 1 d .
H12A H 0.2868 0.8518 0.3852 0.058 Uiso 1 1 calc R
H12B H 0.2765 0.7834 0.4400 0.058 Uiso 1 1 calc R
H12C H 0.1705 0.8542 0.4252 0.058 Uiso 1 1 calc R
C13 C 0.0433(2) 0.83828(16) 0.10623(11) 0.0228(5) Uani 1 1 d .
H13 H 0.1362 0.8271 0.1067 0.027 Uiso 1 1 calc R
C14 C -0.0320(3) 0.76202(18) 0.07778(12) 0.0333(6) Uani 1 1 d .
H14A H -0.0026 0.7142 0.1054 0.050 Uiso 1 1 calc R
H14B H -0.0179 0.7523 0.0325 0.050 Uiso 1 1 calc R
H14C H -0.1237 0.7708 0.0772 0.050 Uiso 1 1 calc R
C15 C 0.0053(2) 0.91176(17) 0.06064(12) 0.0297(5) Uani 1 1 d .
H15A H -0.0876 0.9204 0.0550 0.045 Uiso 1 1 calc R
H15B H 0.0289 0.9011 0.0174 0.045 Uiso 1 1 calc R
H15C H 0.0502 0.9609 0.0803 0.045 Uiso 1 1 calc R
C16 C 0.4936(2) 0.67814(18) 0.20146(13) 0.0313(6) Uani 1 1 d .
C17 C 0.5866(2) 0.6948(2) 0.25748(15) 0.0413(8) Uani 1 1 d .
C18 C 0.7140(3) 0.6853(3) 0.2497(2) 0.0700(14) Uani 1 1 d .
H18 H 0.7807 0.6957 0.2864 0.084 Uiso 1 1 calc R
C19 C 0.7451(3) 0.6615(4) 0.1907(2) 0.0897(19) Uani 1 1 d .
H19 H 0.8328 0.6567 0.1867 0.108 Uiso 1 1 calc R
C20 C 0.6510(3) 0.6446(3) 0.13736(19) 0.0760(15) Uani 1 1 d .
H20 H 0.6744 0.6267 0.0971 0.091 Uiso 1 1 calc R
C21 C 0.5215(3) 0.6530(2) 0.14089(15) 0.0434(8) Uani 1 1 d .
C22 C 0.5524(3) 0.7183(2) 0.32319(14) 0.0415(7) Uani 1 1 d .
H22 H 0.4713 0.7510 0.3139 0.050 Uiso 1 1 calc R
C23 C 0.5258(3) 0.6412(2) 0.36132(16) 0.0442(7) Uani 1 1 d .
H23A H 0.4597 0.6081 0.3337 0.066 Uiso 1 1 calc R
H23B H 0.4958 0.6573 0.4019 0.066 Uiso 1 1 calc R
H23C H 0.6047 0.6089 0.3728 0.066 Uiso 1 1 calc R
C24 C 0.6540(4) 0.7709(3) 0.3668(2) 0.0909(19) Uani 1 1 d .
H24A H 0.7322 0.7384 0.3803 0.136 Uiso 1 1 calc R
H24B H 0.6214 0.7888 0.4062 0.136 Uiso 1 1 calc R
H24C H 0.6734 0.8191 0.3417 0.136 Uiso 1 1 calc R
C25 C 0.4179(3) 0.6339(2) 0.08157(14) 0.0420(8) Uani 1 1 d .
H25 H 0.3372 0.6618 0.0884 0.050 Uiso 1 1 calc R
C26 C 0.3920(4) 0.5414(2) 0.07630(17) 0.0559(9) Uani 1 1 d .
H26A H 0.4707 0.5126 0.0710 0.084 Uiso 1 1 calc R
H26B H 0.3246 0.5303 0.0379 0.084 Uiso 1 1 calc R
H26C H 0.3642 0.5221 0.1167 0.084 Uiso 1 1 calc R
C27 C 0.4515(4) 0.6656(2) 0.01663(15) 0.0507(9) Uani 1 1 d .
H27A H 0.4730 0.7241 0.0211 0.076 Uiso 1 1 calc R
H27B H 0.3779 0.6579 -0.0193 0.076 Uiso 1 1 calc R
H27C H 0.5253 0.6350 0.0065 0.076 Uiso 1 1 calc R
C28 C 0.6144(2) 0.98807(17) 0.16974(12) 0.0276(5) Uani 1 1 d .
H28 H 0.6083 1.0241 0.2055 0.033 Uiso 1 1 calc R
C29 C 0.6165(2) 1.01213(17) 0.10342(13) 0.0283(5) Uani 1 1 d .
H29 H 0.6129 1.0669 0.0872 0.034 Uiso 1 1 calc R
C30 C 0.6247(2) 0.94089(18) 0.06621(13) 0.0318(6) Uani 1 1 d .
H30 H 0.6275 0.9388 0.0202 0.038 Uiso 1 1 calc R
C31 C 0.6281(2) 0.87228(17) 0.10939(14) 0.0319(6) Uani 1 1 d .
H31 H 0.6329 0.8163 0.0971 0.038 Uiso 1 1 calc R
C32 C 0.6229(2) 0.90146(17) 0.17358(13) 0.0293(5) Uani 1 1 d .
H32 H 0.6249 0.8690 0.2122 0.035 Uiso 1 1 calc R
C33 C 0.3371(2) 1.00653(15) 0.11541(12) 0.0251(5) Uani 1 1 d .
C34 C 0.3534(2) 0.87719(15) 0.05110(12) 0.0243(5) Uani 1 1 d .
C35 C 0.0417(4) 0.5241(2) 0.97972(19) 0.0720(14) Uani 1 1 d .
H35A H -0.0130 0.5646 0.9517 0.086 Uiso 1 1 calc R
H35B H 0.1074 0.5551 1.0105 0.086 Uiso 1 1 calc R
C36 C 0.1066(5) 0.4725(2) 0.9371(2) 0.0771(15) Uani 1 1 d .
H36A H 0.0410 0.4411 0.9065 0.092 Uiso 1 1 calc R
H36B H 0.1620 0.4324 0.9651 0.092 Uiso 1 1 calc R
C37 C 0.1998(8) 0.5275(4) 0.8907(4) 0.136(3) Uani 1 1 d .
H37A H 0.1447 0.5641 0.8600 0.205 Uiso 1 1 calc R
H37B H 0.2440 0.4893 0.8656 0.205 Uiso 1 1 calc R
H37C H 0.2633 0.5602 0.9205 0.205 Uiso 1 1 calc R
N1 N 0.18219(17) 0.74372(12) 0.21673(9) 0.0196(4) Uani 1 1 d .
N2 N 0.35993(18) 0.68790(13) 0.20702(9) 0.0220(4) Uani 1 1 d .
O1 O 0.25820(18) 1.05415(12) 0.11965(11) 0.0370(4) Uani 1 1 d .
O2 O 0.28477(18) 0.83906(13) 0.01234(9) 0.0351(4) 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'
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
C1 Zn1 Cl1 109.76(6) . .
C1 Zn1 Fe1 132.51(6) . .
Cl1 Zn1 Fe1 117.57(2) . .
C33 Fe1 C34 92.29(11) . .
C33 Fe1 C28 101.32(11) . .
C34 Fe1 C28 166.25(11) . .
C33 Fe1 C31 167.16(11) . .
C34 Fe1 C31 100.17(11) . .
C28 Fe1 C31 66.14(11) . .
C33 Fe1 C32 131.54(11) . .
C34 Fe1 C32 129.64(11) . .
C28 Fe1 C32 39.59(11) . .
C31 Fe1 C32 39.49(11) . .
C33 Fe1 C29 102.89(11) . .
C34 Fe1 C29 135.22(11) . .
C28 Fe1 C29 39.62(10) . .
C31 Fe1 C29 65.94(11) . .
C32 Fe1 C29 66.41(10) . .
C33 Fe1 C30 134.17(11) . .
C34 Fe1 C30 103.05(11) . .
C28 Fe1 C30 65.95(10) . .
C31 Fe1 C30 39.66(11) . .
C32 Fe1 C30 66.40(10) . .
C29 Fe1 C30 38.80(11) . .
C33 Fe1 Zn1 80.82(8) . .
C34 Fe1 Zn1 90.48(8) . .
C28 Fe1 Zn1 93.54(7) . .
C31 Fe1 Zn1 101.98(8) . .
C32 Fe1 Zn1 76.43(7) . .
C29 Fe1 Zn1 133.13(7) . .
C30 Fe1 Zn1 140.61(8) . .
N2 C1 N1 104.4(2) . .
N2 C1 Zn1 128.27(16) . .
N1 C1 Zn1 127.29(18) . .
C3 C2 N2 106.2(2) . .
C3 C2 H2 126.9 . .
N2 C2 H2 126.9 . .
C2 C3 N1 106.9(2) . .
C2 C3 H3 126.6 . .
N1 C3 H3 126.6 . .
C5 C4 C9 123.4(2) . .
C5 C4 N1 117.2(2) . .
C9 C4 N1 119.45(19) . .
C6 C5 C4 116.9(2) . .
C6 C5 C10 119.6(2) . .
C4 C5 C10 123.4(2) . .
C7 C6 C5 121.2(2) . .
C7 C6 H6 119.4 . .
C5 C6 H6 119.4 . .
C6 C7 C8 120.4(2) . .
C6 C7 H7 119.8 . .
C8 C7 H7 119.8 . .
C7 C8 C9 121.2(2) . .
C7 C8 H8 119.4 . .
C9 C8 H8 119.4 . .
C8 C9 C4 116.9(2) . .
C8 C9 C13 121.4(2) . .
C4 C9 C13 121.7(2) . .
C5 C10 C12 111.4(2) . .
C5 C10 C11 110.39(19) . .
C12 C10 C11 111.1(2) . .
C5 C10 H10 107.9 . .
C12 C10 H10 107.9 . .
C11 C10 H10 107.9 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C9 C13 C15 113.7(2) . .
C9 C13 C14 110.7(2) . .
C15 C13 C14 109.8(2) . .
C9 C13 H13 107.4 . .
C15 C13 H13 107.4 . .
C14 C13 H13 107.4 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C21 C16 C17 124.0(2) . .
C21 C16 N2 118.1(2) . .
C17 C16 N2 117.9(2) . .
C18 C17 C16 115.9(3) . .
C18 C17 C22 121.6(3) . .
C16 C17 C22 122.4(2) . .
C19 C18 C17 121.7(4) . .
C19 C18 H18 119.1 . .
C17 C18 H18 119.1 . .
C18 C19 C20 120.5(3) . .
C18 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
C19 C20 C21 121.4(4) . .
C19 C20 H20 119.3 . .
C21 C20 H20 119.3 . .
C16 C21 C20 116.5(3) . .
C16 C21 C25 122.5(2) . .
C20 C21 C25 121.0(3) . .
C17 C22 C23 110.3(3) . .
C17 C22 C24 114.0(3) . .
C23 C22 C24 109.5(3) . .
C17 C22 H22 107.6 . .
C23 C22 H22 107.6 . .
C24 C22 H22 107.6 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C21 C25 C27 112.4(3) . .
C21 C25 C26 110.7(3) . .
C27 C25 C26 109.7(3) . .
C21 C25 H25 108.0 . .
C27 C25 H25 108.0 . .
C26 C25 H25 108.0 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C32 C28 C29 108.4(2) . .
C32 C28 Fe1 70.52(14) . .
C29 C28 Fe1 71.11(14) . .
C32 C28 H28 125.8 . .
C29 C28 H28 125.8 . .
Fe1 C28 H28 124.2 . .
C30 C29 C28 107.9(2) . .
C30 C29 Fe1 70.58(14) . .
C28 C29 Fe1 69.27(13) . .
C30 C29 H29 126.0 . .
C28 C29 H29 126.0 . .
Fe1 C29 H29 125.7 . .
C29 C30 C31 107.9(2) . .
C29 C30 Fe1 70.62(14) . .
C31 C30 Fe1 69.34(14) . .
C29 C30 H30 126.0 . .
C31 C30 H30 126.0 . .
Fe1 C30 H30 125.6 . .
C32 C31 C30 108.5(2) . .
C32 C31 Fe1 70.50(14) . .
C30 C31 Fe1 71.00(14) . .
C32 C31 H31 125.8 . .
C30 C31 H31 125.8 . .
Fe1 C31 H31 124.3 . .
C31 C32 C28 107.2(2) . .
C31 C32 Fe1 70.01(14) . .
C28 C32 Fe1 69.89(14) . .
C31 C32 H32 126.4 . .
C28 C32 H32 126.4 . .
Fe1 C32 H32 125.3 . .
O1 C33 Fe1 178.8(2) . .
O2 C34 Fe1 178.5(2) . .
C36 C35 C35 114.0(4) . 3_567
C36 C35 H35A 108.7 . .
C35 C35 H35A 108.7 3_567 .
C36 C35 H35B 108.7 . .
C35 C35 H35B 108.7 3_567 .
H35A C35 H35B 107.6 . .
C35 C36 C37 113.8(4) . .
C35 C36 H36A 108.8 . .
C37 C36 H36A 108.8 . .
C35 C36 H36B 108.8 . .
C37 C36 H36B 108.8 . .
H36A C36 H36B 107.7 . .
C36 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C36 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C1 N1 C3 110.9(2) . .
C1 N1 C4 123.2(2) . .
C3 N1 C4 125.26(18) . .
C1 N2 C2 111.67(19) . .
C1 N2 C16 123.3(2) . .
C2 N2 C16 125.0(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 C1 2.027(2) .
Zn1 Cl1 2.2391(7) .
Zn1 Fe1 2.3714(4) .
Fe1 C33 1.738(3) .
Fe1 C34 1.739(3) .
Fe1 C28 2.083(2) .
Fe1 C31 2.085(2) .
Fe1 C32 2.092(2) .
Fe1 C29 2.108(2) .
Fe1 C30 2.107(2) .
C1 N2 1.347(3) .
C1 N1 1.352(3) .
C2 C3 1.344(3) .
C2 N2 1.384(3) .
C2 H2 0.9500 .
C3 N1 1.388(3) .
C3 H3 0.9500 .
C4 C5 1.399(3) .
C4 C9 1.401(3) .
C4 N1 1.445(3) .
C5 C6 1.394(4) .
C5 C10 1.519(3) .
C6 C7 1.377(4) .
C6 H6 0.9500 .
C7 C8 1.386(3) .
C7 H7 0.9500 .
C8 C9 1.388(3) .
C8 H8 0.9500 .
C9 C13 1.520(3) .
C10 C12 1.531(4) .
C10 C11 1.532(4) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C15 1.527(3) .
C13 C14 1.533(3) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C21 1.391(4) .
C16 C17 1.399(4) .
C16 N2 1.450(3) .
C17 C18 1.396(4) .
C17 C22 1.508(5) .
C18 C19 1.368(7) .
C18 H18 0.9500 .
C19 C20 1.369(7) .
C19 H19 0.9500 .
C20 C21 1.394(4) .
C20 H20 0.9500 .
C21 C25 1.517(5) .
C22 C23 1.532(4) .
C22 C24 1.532(5) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C27 1.530(4) .
C25 C26 1.531(5) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C32 1.414(4) .
C28 C29 1.421(3) .
C28 H28 0.9500 .
C29 C30 1.400(4) .
C29 H29 0.9500 .
C30 C31 1.422(4) .
C30 H30 0.9500 .
C31 C32 1.411(4) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 O1 1.155(3) .
C34 O2 1.156(3) .
C35 C36 1.471(6) .
C35 C35 1.536(10) 3_567
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C37 1.739(9) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
