#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:23:42 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180010 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/04/7030463.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_7030463
loop_
_publ_author_name
'Shah, Hakikulla H.'
'Al-Balushi, Rayya A'
'Al-Suti, Mohammed K'
'Khan, Muhammad S.'
'Marken, Frank'
'Sudlow, Anna L.'
'Kociok-Köhn, Gabriele'
'Woodall, Christopher H.'
'Raithby, Paul R.'
'Molloy, Kieran C.'
_publ_section_title
;
 New di-ferrocenyl-ethynylpyridinyl triphenylphosphine copper halide
 complexes and related di-ferricenyl electro-crystallized materials.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9497
_journal_page_last               9507
_journal_paper_doi               10.1039/c3dt52914b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C35 H28 Cu Fe I N P'
_chemical_formula_sum            'C35 H28 Cu Fe I N P'
_chemical_formula_weight         739.84
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_creation_date             2014-04-26
_audit_creation_method
;
Olex2 1.2
(compiled 2014.03.20 svn.r2918 for OlexSys, GUI svn.r4816)
;
_cell_angle_alpha                104.106(4)
_cell_angle_beta                 106.750(4)
_cell_angle_gamma                107.782(4)
_cell_formula_units_Z            2
_cell_length_a                   10.1206(4)
_cell_length_b                   12.6511(6)
_cell_length_c                   13.6628(7)
_cell_measurement_temperature    150.15
_cell_volume                     1485.78(15)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla et al., 2007)'
_diffrn_ambient_temperature      150.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.847
_diffrn_measurement_device_type  'Agilent Gemini A-Ultra'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_unetI/netI     0.0563
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.847
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14560
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.847
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.639
_diffrn_reflns_theta_min         2.880
_exptl_absorpt_coefficient_mu    2.322
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.7443
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,

        Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)

        (compiled May 16 2011,17:55:39)

        Empirical absorption correction using spherical harmonics,

 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_description       needle
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.943
_refine_diff_density_min         -0.791
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         7098
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0399P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0889
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5555
_reflns_number_total             7098
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c3dt52914b1.cif
_cod_data_source_block           185
_cod_depositor_comments
'Adding full bibliography for 7030461--7030463.cif.'
_cod_original_cell_volume        1485.78(13)
_cod_database_code               7030463
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2013-4
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.893
_shelx_estimated_absorpt_t_min   0.543
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid bond restraints
 C3, C1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3. Uiso/Uaniso restraints and constraints
C3 \\sim C1: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C9(H9), C10(H10),
 C14(H14), C15(H15), C16(H16), C17(H17), C22(H22), C23(H23), C24(H24), C25(H25),
  C26(H26), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32), C34(H34),
 C35(H35), C36(H36), C37(H37), C38(H38)
;
_olex2_computing_structure_refinement_long 'ShelXL (Sheldrick, 2008)'
_olex2_exptl_crystal_mounting_method 'Fluoroether oil'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 1.3224(8) -0.5718(4) 0.6301(4) 0.078(2) Uani 1 1 d . U
H1 H 1.3451 -0.6226 0.6670 0.094 Uiso 1 1 calc R .
C2 C 1.1749(6) -0.5620(5) 0.5872(4) 0.075(2) Uani 1 1 d . .
H2 H 1.0824 -0.6038 0.5913 0.091 Uiso 1 1 calc R .
C3 C 1.2066(6) -0.4759(4) 0.5393(3) 0.0527(12) Uani 1 1 d . U
H3 H 1.1348 -0.4501 0.5024 0.063 Uiso 1 1 calc R .
C4 C 1.3471(7) -0.4364(5) 0.5523(4) 0.0638(14) Uani 1 1 d . .
H4 H 1.3925 -0.3764 0.5277 0.077 Uiso 1 1 calc R .
C5 C 1.4182(6) -0.4899(5) 0.6038(4) 0.0632(15) Uani 1 1 d . .
H5 H 1.5217 -0.4746 0.6208 0.076 Uiso 1 1 calc R .
C6 C 1.4146(4) -0.3658(3) 0.8689(3) 0.0321(8) Uani 1 1 d . .
H6 H 1.4439 -0.4139 0.9068 0.039 Uiso 1 1 calc R .
C7 C 1.2666(4) -0.3697(3) 0.8274(3) 0.0294(8) Uani 1 1 d . .
H7 H 1.1799 -0.4209 0.8323 0.035 Uiso 1 1 calc R .
C8 C 1.2718(4) -0.2828(3) 0.7772(3) 0.0246(7) Uani 1 1 d . .
C9 C 1.4247(4) -0.2270(3) 0.7868(3) 0.0271(8) Uani 1 1 d . .
H9 H 1.4610 -0.1666 0.7596 0.033 Uiso 1 1 calc R .
C10 C 1.5106(4) -0.2787(3) 0.8443(3) 0.0323(8) Uani 1 1 d . .
H10 H 1.6155 -0.2580 0.8631 0.039 Uiso 1 1 calc R .
C11 C 1.1483(4) -0.2559(3) 0.7257(3) 0.0254(7) Uani 1 1 d . .
C12 C 1.0457(4) -0.2312(3) 0.6847(3) 0.0248(7) Uani 1 1 d . .
C13 C 0.9267(3) -0.2007(3) 0.6311(3) 0.0227(7) Uani 1 1 d . .
C14 C 0.7968(4) -0.2234(3) 0.6522(3) 0.0297(8) Uani 1 1 d . .
H14 H 0.7834 -0.2608 0.7032 0.036 Uiso 1 1 calc R .
C15 C 0.6861(4) -0.1906(3) 0.5974(3) 0.0281(8) Uani 1 1 d . .
H15 H 0.5985 -0.2052 0.6136 0.034 Uiso 1 1 calc R .
C16 C 0.8215(3) -0.1182(3) 0.5040(3) 0.0258(7) Uani 1 1 d . .
H16 H 0.8311 -0.0813 0.4521 0.031 Uiso 1 1 calc R .
C17 C 0.9379(4) -0.1462(3) 0.5546(3) 0.0263(7) Uani 1 1 d . .
H17 H 1.0249 -0.1287 0.5377 0.032 Uiso 1 1 calc R .
C21 C 0.3010(4) -0.3535(3) 0.1985(3) 0.0249(7) Uani 1 1 d . .
C22 C 0.2695(4) -0.4042(3) 0.2731(3) 0.0336(9) Uani 1 1 d . .
H22 H 0.3164 -0.3575 0.3493 0.040 Uiso 1 1 calc R .
C23 C 0.1705(4) -0.5220(4) 0.2374(4) 0.0398(9) Uani 1 1 d . .
H23 H 0.1492 -0.5552 0.2893 0.048 Uiso 1 1 calc R .
C24 C 0.1029(4) -0.5912(4) 0.1280(4) 0.0426(10) Uani 1 1 d . .
H24 H 0.0364 -0.6724 0.1041 0.051 Uiso 1 1 calc R .
C25 C 0.1323(4) -0.5419(4) 0.0527(3) 0.0410(10) Uani 1 1 d . .
H25 H 0.0852 -0.5893 -0.0233 0.049 Uiso 1 1 calc R .
C26 C 0.2302(4) -0.4236(4) 0.0876(3) 0.0350(9) Uani 1 1 d . .
H26 H 0.2490 -0.3903 0.0352 0.042 Uiso 1 1 calc R .
C27 C 0.3429(3) -0.1307(3) 0.1644(3) 0.0229(7) Uani 1 1 d . .
C28 C 0.2549(4) -0.0784(3) 0.2011(3) 0.0301(8) Uani 1 1 d . .
H28 H 0.2453 -0.0785 0.2683 0.036 Uiso 1 1 calc R .
C29 C 0.1809(4) -0.0260(4) 0.1383(3) 0.0358(9) Uani 1 1 d . .
H29 H 0.1192 0.0083 0.1625 0.043 Uiso 1 1 calc R .
C30 C 0.1959(4) -0.0231(3) 0.0421(3) 0.0338(9) Uani 1 1 d . .
H30 H 0.1446 0.0127 0.0001 0.041 Uiso 1 1 calc R .
C31 C 0.2859(4) -0.0724(3) 0.0069(3) 0.0341(9) Uani 1 1 d . .
H31 H 0.2988 -0.0688 -0.0585 0.041 Uiso 1 1 calc R .
C32 C 0.3578(4) -0.1276(3) 0.0673(3) 0.0287(8) Uani 1 1 d . .
H32 H 0.4175 -0.1633 0.0417 0.034 Uiso 1 1 calc R .
C33 C 0.5850(3) -0.2073(3) 0.2036(3) 0.0226(7) Uani 1 1 d . .
C34 C 0.5972(4) -0.3131(3) 0.1602(3) 0.0308(8) Uani 1 1 d . .
H34 H 0.5225 -0.3864 0.1503 0.037 Uiso 1 1 calc R .
C35 C 0.7175(4) -0.3131(4) 0.1308(4) 0.0407(10) Uani 1 1 d . .
H35 H 0.7250 -0.3862 0.1013 0.049 Uiso 1 1 calc R .
C36 C 0.8258(4) -0.2078(4) 0.1443(3) 0.0392(10) Uani 1 1 d . .
H36 H 0.9075 -0.2081 0.1234 0.047 Uiso 1 1 calc R .
C37 C 0.8160(4) -0.1007(4) 0.1882(3) 0.0360(9) Uani 1 1 d . .
H37 H 0.8913 -0.0278 0.1979 0.043 Uiso 1 1 calc R .
C38 C 0.6969(4) -0.1001(3) 0.2180(3) 0.0290(8) Uani 1 1 d . .
H38 H 0.6908 -0.0267 0.2484 0.035 Uiso 1 1 calc R .
P1 P 0.43645(9) -0.19816(8) 0.25142(7) 0.02217(19) Uani 1 1 d . .
Cu1 Cu 0.52632(4) -0.10207(4) 0.43263(3) 0.02408(11) Uani 1 1 d . .
I1 I 0.67668(2) 0.13131(2) 0.47951(2) 0.02733(8) Uani 1 1 d . .
Fe1 Fe 1.33563(5) -0.40710(4) 0.70310(4) 0.02466(12) Uani 1 1 d . .
N1 N 0.6960(3) -0.1399(3) 0.5238(2) 0.0238(6) 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
N N 0.0061 0.0033 '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'
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
C2 C1 Fe1 67.9(2) . .
C5 C1 C2 104.1(4) . .
C5 C1 Fe1 70.4(3) . .
C1 C2 Fe1 68.7(2) . .
C3 C2 C1 103.0(4) . .
C3 C2 Fe1 70.6(3) . .
C2 C3 Fe1 68.8(2) . .
C4 C3 C2 110.7(5) . .
C4 C3 Fe1 71.9(3) . .
C3 C4 C5 111.2(6) . .
C3 C4 Fe1 71.1(3) . .
C5 C4 Fe1 70.8(3) . .
C1 C5 Fe1 69.7(3) . .
C4 C5 C1 110.8(5) . .
C4 C5 Fe1 71.8(3) . .
C7 C6 Fe1 68.82(19) . .
C10 C6 C7 108.6(3) . .
C10 C6 Fe1 70.6(2) . .
C6 C7 C8 107.7(3) . .
C6 C7 Fe1 70.2(2) . .
C8 C7 Fe1 69.9(2) . .
C7 C8 C9 107.7(3) . .
C7 C8 C11 126.6(3) . .
C7 C8 Fe1 69.0(2) . .
C9 C8 Fe1 69.84(19) . .
C11 C8 C9 125.8(3) . .
C11 C8 Fe1 126.2(2) . .
C8 C9 Fe1 68.78(19) . .
C10 C9 C8 107.4(3) . .
C10 C9 Fe1 70.3(2) . .
C6 C10 C9 108.7(3) . .
C6 C10 Fe1 69.2(2) . .
C9 C10 Fe1 69.4(2) . .
C12 C11 C8 178.5(4) . .
C11 C12 C13 176.7(4) . .
C14 C13 C12 122.1(3) . .
C14 C13 C17 117.3(3) . .
C17 C13 C12 120.6(3) . .
C13 C14 C15 118.9(3) . .
N1 C15 C14 123.8(3) . .
N1 C16 C17 123.7(3) . .
C16 C17 C13 119.4(3) . .
C22 C21 P1 118.4(3) . .
C26 C21 C22 118.4(3) . .
C26 C21 P1 123.1(3) . .
C23 C22 C21 120.7(4) . .
C24 C23 C22 120.6(4) . .
C23 C24 C25 119.5(4) . .
C24 C25 C26 120.4(4) . .
C25 C26 C21 120.5(4) . .
C28 C27 P1 116.8(3) . .
C32 C27 C28 119.4(3) . .
C32 C27 P1 123.8(3) . .
C27 C28 C29 119.4(3) . .
C30 C29 C28 121.1(3) . .
C29 C30 C31 119.6(3) . .
C30 C31 C32 120.1(3) . .
C27 C32 C31 120.5(3) . .
C34 C33 C38 118.7(3) . .
C34 C33 P1 123.6(3) . .
C38 C33 P1 117.6(3) . .
C33 C34 C35 120.6(3) . .
C36 C35 C34 120.1(4) . .
C35 C36 C37 120.1(4) . .
C38 C37 C36 120.0(4) . .
C37 C38 C33 120.4(3) . .
C21 P1 C27 104.03(15) . .
C21 P1 Cu1 116.14(11) . .
C27 P1 Cu1 116.44(11) . .
C33 P1 C21 103.60(16) . .
C33 P1 C27 102.58(15) . .
C33 P1 Cu1 112.38(11) . .
P1 Cu1 I1 115.47(3) . 2_656
P1 Cu1 I1 108.95(3) . .
I1 Cu1 I1 109.594(16) 2_656 .
N1 Cu1 P1 114.62(8) . .
N1 Cu1 I1 106.62(8) . 2_656
N1 Cu1 I1 100.50(8) . .
Cu1 I1 Cu1 70.404(16) 2_656 .
C1 Fe1 C3 67.99(18) . .
C1 Fe1 C4 65.9(2) . .
C1 Fe1 C5 39.9(2) . .
C1 Fe1 C6 108.78(17) . .
C1 Fe1 C8 157.3(2) . .
C1 Fe1 C9 160.5(2) . .
C1 Fe1 C10 125.1(2) . .
C2 Fe1 C1 43.4(2) . .
C2 Fe1 C3 40.6(2) . .
C2 Fe1 C4 66.4(2) . .
C2 Fe1 C5 68.2(2) . .
C2 Fe1 C6 126.8(2) . .
C2 Fe1 C7 107.06(17) . .
C2 Fe1 C8 118.8(2) . .
C2 Fe1 C9 153.8(2) . .
C2 Fe1 C10 164.3(2) . .
C3 Fe1 C4 37.02(19) . .
C3 Fe1 C6 165.01(19) . .
C3 Fe1 C9 119.83(17) . .
C3 Fe1 C10 153.8(2) . .
C4 Fe1 C9 108.5(2) . .
C4 Fe1 C10 122.3(2) . .
C5 Fe1 C3 63.7(2) . .
C5 Fe1 C4 37.4(2) . .
C5 Fe1 C6 123.85(19) . .
C5 Fe1 C8 160.1(2) . .
C5 Fe1 C9 124.5(2) . .
C5 Fe1 C10 109.97(18) . .
C6 Fe1 C4 156.5(2) . .
C6 Fe1 C9 68.31(15) . .
C6 Fe1 C10 40.20(15) . .
C7 Fe1 C1 122.0(2) . .
C7 Fe1 C3 127.24(18) . .
C7 Fe1 C4 161.8(2) . .
C7 Fe1 C5 158.3(2) . .
C7 Fe1 C6 40.94(13) . .
C7 Fe1 C8 41.17(14) . .
C7 Fe1 C9 69.34(15) . .
C7 Fe1 C10 68.51(15) . .
C8 Fe1 C3 108.28(16) . .
C8 Fe1 C4 125.4(2) . .
C8 Fe1 C6 68.69(14) . .
C8 Fe1 C9 41.39(13) . .
C8 Fe1 C10 68.48(13) . .
C9 Fe1 C10 40.33(13) . .
C15 N1 C16 116.9(3) . .
C15 N1 Cu1 124.6(2) . .
C16 N1 Cu1 118.4(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.493(8) .
C1 C5 1.383(8) .
C1 Fe1 2.023(4) .
C2 C3 1.405(7) .
C2 Fe1 2.012(4) .
C3 C4 1.296(7) .
C3 Fe1 2.035(4) .
C4 C5 1.307(7) .
C4 Fe1 2.046(5) .
C5 Fe1 2.033(4) .
C6 C7 1.421(5) .
C6 C10 1.409(5) .
C6 Fe1 2.041(3) .
C7 C8 1.426(5) .
C7 Fe1 2.022(4) .
C8 C9 1.442(5) .
C8 C11 1.430(4) .
C8 Fe1 2.034(3) .
C9 C10 1.416(5) .
C9 Fe1 2.048(4) .
C10 Fe1 2.060(3) .
C11 C12 1.200(4) .
C12 C13 1.432(4) .
C13 C14 1.387(5) .
C13 C17 1.396(5) .
C14 C15 1.393(4) .
C15 N1 1.328(4) .
C16 C17 1.377(4) .
C16 N1 1.336(4) .
C21 C22 1.390(5) .
C21 C26 1.389(5) .
C21 P1 1.831(4) .
C22 C23 1.384(5) .
C23 C24 1.369(6) .
C24 C25 1.383(6) .
C25 C26 1.387(5) .
C27 C28 1.392(5) .
C27 C32 1.386(5) .
C27 P1 1.837(3) .
C28 C29 1.396(5) .
C29 C30 1.373(5) .
C30 C31 1.380(5) .
C31 C32 1.394(5) .
C33 C34 1.384(5) .
C33 C38 1.401(5) .
C33 P1 1.826(3) .
C34 C35 1.387(5) .
C35 C36 1.372(6) .
C36 C37 1.387(5) .
C37 C38 1.380(5) .
P1 Cu1 2.2348(10) .
Cu1 I1 2.6406(5) 2_656
Cu1 I1 2.6861(5) .
Cu1 N1 2.071(3) .
I1 Cu1 2.6405(5) 2_656
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
C1 C2 C3 C4 -1.7(5)
C1 C2 C3 Fe1 -61.5(3)
C2 C1 C5 C4 -0.4(5)
C2 C1 C5 Fe1 59.9(3)
C2 C3 C4 C5 1.6(6)
C2 C3 C4 Fe1 -58.0(3)
C3 C4 C5 C1 -0.7(6)
C3 C4 C5 Fe1 -59.7(4)
C5 C1 C2 C3 1.2(5)
C5 C1 C2 Fe1 -61.6(3)
C6 C7 C8 C9 1.0(4)
C6 C7 C8 C11 -179.5(3)
C6 C7 C8 Fe1 60.3(2)
C7 C6 C10 C9 -0.3(4)
C7 C6 C10 Fe1 -58.5(2)
C7 C8 C9 C10 -1.1(4)
C7 C8 C9 Fe1 58.8(2)
C8 C9 C10 C6 0.9(4)
C8 C9 C10 Fe1 59.0(2)
C10 C6 C7 C8 -0.4(4)
C10 C6 C7 Fe1 59.6(3)
C11 C8 C9 C10 179.3(3)
C11 C8 C9 Fe1 -120.7(3)
C12 C13 C14 C15 179.6(3)
C12 C13 C17 C16 179.8(3)
C13 C14 C15 N1 1.2(6)
C14 C13 C17 C16 -0.2(5)
C14 C15 N1 C16 -1.2(5)
C14 C15 N1 Cu1 175.1(3)
C17 C13 C14 C15 -0.4(5)
C17 C16 N1 C15 0.6(5)
C17 C16 N1 Cu1 -176.0(3)
C21 C22 C23 C24 0.7(6)
C22 C21 C26 C25 -1.0(5)
C22 C21 P1 C27 -133.3(3)
C22 C21 P1 C33 119.8(3)
C22 C21 P1 Cu1 -3.9(3)
C22 C23 C24 C25 -1.1(6)
C23 C24 C25 C26 0.5(6)
C24 C25 C26 C21 0.6(6)
C26 C21 C22 C23 0.3(5)
C26 C21 P1 C27 47.9(3)
C26 C21 P1 C33 -59.0(3)
C26 C21 P1 Cu1 177.2(3)
C27 C28 C29 C30 -1.3(6)
C28 C27 C32 C31 0.2(5)
C28 C27 P1 C21 91.3(3)
C28 C27 P1 C33 -161.0(3)
C28 C27 P1 Cu1 -37.8(3)
C28 C29 C30 C31 -0.2(6)
C29 C30 C31 C32 1.7(6)
C30 C31 C32 C27 -1.7(6)
C32 C27 C28 C29 1.3(5)
C32 C27 P1 C21 -89.9(3)
C32 C27 P1 C33 17.8(3)
C32 C27 P1 Cu1 140.9(3)
C33 C34 C35 C36 -0.2(6)
C34 C33 C38 C37 0.6(5)
C34 C33 P1 C21 -12.5(3)
C34 C33 P1 C27 -120.5(3)
C34 C33 P1 Cu1 113.7(3)
C34 C35 C36 C37 0.6(7)
C35 C36 C37 C38 -0.3(6)
C36 C37 C38 C33 -0.3(6)
C38 C33 C34 C35 -0.4(5)
C38 C33 P1 C21 171.3(3)
C38 C33 P1 C27 63.3(3)
C38 C33 P1 Cu1 -62.5(3)
P1 C21 C22 C23 -178.6(3)
P1 C21 C26 C25 177.9(3)
P1 C27 C28 C29 -179.9(3)
P1 C27 C32 C31 -178.6(3)
P1 C33 C34 C35 -176.5(3)
P1 C33 C38 C37 177.0(3)
Fe1 C1 C2 C3 62.8(3)
Fe1 C1 C5 C4 -60.3(4)
Fe1 C2 C3 C4 59.8(3)
Fe1 C3 C4 C5 59.5(4)
Fe1 C4 C5 C1 59.0(4)
Fe1 C6 C7 C8 -60.1(2)
Fe1 C6 C10 C9 58.3(3)
Fe1 C7 C8 C9 -59.4(2)
Fe1 C7 C8 C11 120.2(3)
Fe1 C8 C9 C10 -59.9(2)
Fe1 C9 C10 C6 -58.1(3)
N1 C16 C17 C13 0.1(5)
