#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:18:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180033 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/27/7032758.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_7032758
loop_
_publ_author_name
'Wang, Yong'
'Ma, Xiao'
'Hu, Shengmin'
'Wen, Yuehong'
'Xue, Zhenzhen'
'Zhu, Xiaoquan'
'Zhang, Xudong'
'Sheng, Tianlu'
'Wu, Xintao'
_publ_section_title
;
 Syntheses, crystal structures, MMCT and magnetic properties of four
 one-dimensional cyanide-bridged complexes comprised of M(II)-CN-Fe(III)
 (M = Fe, Ru, Os).
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17453
_journal_page_last               17462
_journal_paper_doi               10.1039/c4dt02272f
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C43 H40 F6 Fe2 N10 O4 P'
_chemical_formula_weight         1017.52
_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                 108.196(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.088(8)
_cell_length_b                   13.258(6)
_cell_length_c                   21.990(11)
_cell_measurement_reflns_used    13155
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.4855
_cell_measurement_theta_min      2.0639
_cell_volume                     4456(4)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  Saturn724+
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0759
_diffrn_reflns_av_sigmaI/netI    0.0785
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            55592
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.767
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'RIGAKU/MSC(2004), CrystalClear Version 1.3.6'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2084
_exptl_crystal_size_max          0.178
_exptl_crystal_size_mid          0.144
_exptl_crystal_size_min          0.094
_refine_diff_density_max         0.755
_refine_diff_density_min         -0.510
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         7825
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.1117
_refine_ls_R_factor_gt           0.0787
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1299P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2127
_refine_ls_wR_factor_ref         0.2429
_reflns_number_gt                4989
_reflns_number_total             7825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02272f2.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7032756--7032760.cif.
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7032758
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
Fe1 Fe 0.76947(5) 0.60040(6) 0.08703(3) 0.0461(3) Uani 1 1 d .
Fe2 Fe 0.72291(5) 0.29735(6) 0.21151(4) 0.0471(3) Uani 1 1 d .
C1 C 0.7398(4) 0.4803(4) 0.1194(3) 0.0484(14) Uani 1 1 d .
C2 C 0.7712(4) 0.6625(4) 0.1647(3) 0.0464(13) Uani 1 1 d .
C3 C 0.7620(4) 0.8034(5) 0.0242(3) 0.0656(18) Uani 1 1 d .
H3A H 0.7016 0.7949 0.0091 0.079 Uiso 1 1 calc R
C4 C 0.7973(5) 0.8912(5) 0.0097(4) 0.077(2) Uani 1 1 d .
H4A H 0.7613 0.9405 -0.0152 0.092 Uiso 1 1 calc R
C5 C 0.8860(5) 0.9054(5) 0.0321(4) 0.085(2) Uani 1 1 d .
H5A H 0.9112 0.9639 0.0225 0.101 Uiso 1 1 calc R
C6 C 0.9366(5) 0.8313(5) 0.0690(4) 0.0725(19) Uani 1 1 d .
H6A H 0.9968 0.8402 0.0854 0.087 Uiso 1 1 calc R
C7 C 0.8993(4) 0.7438(5) 0.0819(3) 0.0570(15) Uani 1 1 d .
C8 C 0.9464(4) 0.6585(5) 0.1224(3) 0.0534(15) Uani 1 1 d .
C9 C 1.0362(4) 0.6602(6) 0.1533(3) 0.0671(18) Uani 1 1 d .
H9A H 1.0698 0.7161 0.1507 0.081 Uiso 1 1 calc R
C10 C 1.0751(5) 0.5731(6) 0.1893(3) 0.075(2) Uani 1 1 d .
H10A H 1.1347 0.5716 0.2115 0.090 Uiso 1 1 calc R
C11 C 1.0231(5) 0.4919(5) 0.1904(3) 0.0670(18) Uani 1 1 d .
H11A H 1.0473 0.4338 0.2127 0.080 Uiso 1 1 calc R
C12 C 0.9354(4) 0.4967(5) 0.1585(3) 0.0618(17) Uani 1 1 d .
H12A H 0.9010 0.4412 0.1604 0.074 Uiso 1 1 calc R
C13 C 0.5878(4) 0.6711(5) 0.0707(4) 0.0684(18) Uani 1 1 d .
H13A H 0.6096 0.6937 0.1127 0.082 Uiso 1 1 calc R
C14 C 0.5009(5) 0.6844(5) 0.0398(4) 0.072(2) Uani 1 1 d .
H14A H 0.4663 0.7182 0.0601 0.086 Uiso 1 1 calc R
C15 C 0.4648(5) 0.6485(6) -0.0204(4) 0.077(2) Uani 1 1 d .
H15A H 0.4051 0.6547 -0.0416 0.092 Uiso 1 1 calc R
C16 C 0.5189(5) 0.6029(5) -0.0490(3) 0.070(2) Uani 1 1 d .
H16A H 0.4965 0.5789 -0.0907 0.084 Uiso 1 1 calc R
C17 C 0.6089(4) 0.5920(5) -0.0156(3) 0.0603(17) Uani 1 1 d .
C18 C 0.6753(5) 0.5428(5) -0.0411(3) 0.0633(18) Uani 1 1 d .
C19 C 0.6555(6) 0.5034(6) -0.1015(4) 0.084(2) Uani 1 1 d .
H19A H 0.5991 0.5069 -0.1301 0.101 Uiso 1 1 calc R
C20 C 0.7210(6) 0.4592(7) -0.1179(4) 0.097(3) Uani 1 1 d .
H20A H 0.7096 0.4330 -0.1589 0.116 Uiso 1 1 calc R
C21 C 0.8049(7) 0.4519(7) -0.0750(4) 0.103(3) Uani 1 1 d .
H21A H 0.8498 0.4211 -0.0864 0.124 Uiso 1 1 calc R
C22 C 0.8192(5) 0.4930(5) -0.0132(3) 0.0708(19) Uani 1 1 d .
H22A H 0.8746 0.4878 0.0167 0.085 Uiso 1 1 calc R
C23 C 0.9124(4) 0.2522(5) 0.2374(4) 0.076(2) Uani 1 1 d .
C24 C 0.9752(5) 0.1922(6) 0.2206(5) 0.100(3) Uani 1 1 d U
H24A H 0.9567 0.1461 0.1873 0.119 Uiso 1 1 calc R
C25 C 1.0662(6) 0.2020(8) 0.2543(6) 0.119(3) Uani 1 1 d U
H25A H 1.1070 0.1647 0.2418 0.143 Uiso 1 1 calc R
C26 C 1.0914(7) 0.2634(9) 0.3025(6) 0.122(4) Uani 1 1 d U
H26A H 1.1507 0.2665 0.3254 0.147 Uiso 1 1 calc R
C27 C 1.0331(6) 0.3254(7) 0.3215(5) 0.110(3) Uani 1 1 d U
H27A H 1.0540 0.3687 0.3562 0.132 Uiso 1 1 calc R
C28 C 0.9414(5) 0.3217(6) 0.2871(4) 0.088(3) Uani 1 1 d U
C29 C 0.8858(6) 0.3891(6) 0.3078(4) 0.084(3) Uani 1 1 d .
H29A H 0.9130 0.4325 0.3414 0.101 Uiso 1 1 calc R
C30 C 0.7529(6) 0.4637(6) 0.3120(4) 0.098(3) Uani 1 1 d .
H30A H 0.7477 0.4347 0.3512 0.118 Uiso 1 1 calc R
H30B H 0.7844 0.5270 0.3228 0.118 Uiso 1 1 calc R
C31 C 0.6674(6) 0.4824(6) 0.2684(4) 0.095(3) Uani 1 1 d .
H31A H 0.6708 0.5315 0.2366 0.114 Uiso 1 1 calc R
H31B H 0.6298 0.5095 0.2914 0.114 Uiso 1 1 calc R
C32 C 0.5514(5) 0.3623(5) 0.2301(3) 0.0666(18) Uani 1 1 d .
H32A H 0.5192 0.4021 0.2494 0.080 Uiso 1 1 calc R
C33 C 0.5087(4) 0.2731(5) 0.1931(3) 0.0539(15) Uani 1 1 d .
C34 C 0.4216(4) 0.2538(6) 0.1905(3) 0.0687(19) Uani 1 1 d .
H34A H 0.3952 0.2963 0.2127 0.082 Uiso 1 1 calc R
C35 C 0.3747(5) 0.1757(6) 0.1570(4) 0.084(2) Uani 1 1 d .
H35A H 0.3177 0.1639 0.1569 0.101 Uiso 1 1 calc R
C36 C 0.4131(5) 0.1137(6) 0.1227(4) 0.086(3) Uani 1 1 d .
H36A H 0.3814 0.0600 0.0995 0.103 Uiso 1 1 calc R
C37 C 0.4979(4) 0.1301(5) 0.1225(3) 0.0654(18) Uani 1 1 d .
H37A H 0.5222 0.0882 0.0986 0.078 Uiso 1 1 calc R
C38 C 0.5474(4) 0.2094(4) 0.1578(3) 0.0521(15) Uani 1 1 d .
C39 C 0.2327(16) 0.830(2) 0.0511(13) 0.357(15) Uani 1 1 d U
H39A H 0.2842 0.8625 0.0786 0.536 Uiso 1 1 calc R
H39B H 0.2250 0.7661 0.0688 0.536 Uiso 1 1 calc R
H39C H 0.1826 0.8721 0.0475 0.536 Uiso 1 1 calc R
C40 C 0.3089(11) 0.8639(9) -0.0250(6) 0.128(4) Uani 1 1 d .
H40A H 0.3094 0.8591 -0.0671 0.153 Uiso 1 1 calc R
C41 C 0.1738(13) 0.7775(15) -0.0612(10) 0.249(9) Uani 1 1 d U
H41A H 0.1834 0.7749 -0.1021 0.373 Uiso 1 1 calc R
H41B H 0.1244 0.8200 -0.0640 0.373 Uiso 1 1 calc R
H41C H 0.1626 0.7108 -0.0487 0.373 Uiso 1 1 calc R
C42 C 1.1409(7) 0.2865(8) 0.1146(5) 0.123(4) Uani 1 1 d .
H42A H 1.1902 0.2955 0.0994 0.185 Uiso 1 1 calc R
H42B H 1.1338 0.2161 0.1220 0.185 Uiso 1 1 calc R
H42C H 1.1504 0.3230 0.1539 0.185 Uiso 1 1 calc R
C43 C 1.0645(7) 0.3231(8) 0.0683(5) 0.099(3) Uani 1 1 d .
N1 N 0.7224(3) 0.4070(4) 0.1419(2) 0.0552(13) Uani 1 1 d .
N2 N 0.7761(3) 0.7016(3) 0.2130(2) 0.0536(12) Uani 1 1 d .
N3 N 0.8121(3) 0.7287(3) 0.0596(2) 0.0512(12) Uani 1 1 d .
N4 N 0.8960(3) 0.5779(4) 0.1242(2) 0.0514(12) Uani 1 1 d .
N5 N 0.6432(3) 0.6285(4) 0.0455(2) 0.0553(13) Uani 1 1 d .
N6 N 0.7579(3) 0.5378(4) 0.0031(2) 0.0528(12) Uani 1 1 d .
N7 N 0.8014(4) 0.3956(4) 0.2844(3) 0.0695(17) Uani 1 1 d .
N8 N 0.6308(4) 0.3877(4) 0.2370(3) 0.0646(15) Uani 1 1 d .
N9 N 0.2432(8) 0.8142(9) -0.0186(5) 0.138(4) Uani 1 1 d .
N10 N 1.0046(6) 0.3535(8) 0.0319(5) 0.130(3) Uani 1 1 d .
O1 O 0.8287(3) 0.2396(3) 0.2034(2) 0.0674(12) Uani 1 1 d .
O2 O 0.6283(2) 0.2239(3) 0.15442(17) 0.0466(9) Uani 1 1 d .
O3 O 0.3678(7) 0.9128(7) 0.0046(6) 0.175(4) Uani 1 1 d .
O4 O 0.9281(9) 0.4243(11) 0.4561(6) 0.272(6) Uani 1 1 d .
P1 P 0.18368(15) 0.9573(2) 0.17925(14) 0.1055(9) Uani 1 1 d .
F1 F 0.1012(4) 0.9537(6) 0.2022(4) 0.174(3) Uani 1 1 d .
F2 F 0.2436(5) 0.9242(7) 0.2463(4) 0.204(4) Uani 1 1 d U
F3 F 0.1284(4) 1.0053(6) 0.1170(3) 0.167(3) Uani 1 1 d .
F4 F 0.1684(4) 0.8460(5) 0.1569(4) 0.161(3) Uani 1 1 d .
F5 F 0.2673(4) 0.9627(5) 0.1565(4) 0.165(3) Uani 1 1 d U
F6 F 0.2056(4) 1.0699(5) 0.2084(4) 0.148(2) 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'
F F 0.0171 0.0103 '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'
Fe Fe 0.3463 0.8444 '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 Fe1 C2 87.7(2) . .
C1 Fe1 N4 93.8(2) . .
C2 Fe1 N4 88.2(2) . .
C1 Fe1 N6 92.1(2) . .
C2 Fe1 N6 175.6(2) . .
N4 Fe1 N6 96.2(2) . .
C1 Fe1 N5 89.3(2) . .
C2 Fe1 N5 93.4(2) . .
N4 Fe1 N5 176.5(2) . .
N6 Fe1 N5 82.2(2) . .
C1 Fe1 N3 174.4(2) . .
C2 Fe1 N3 89.6(2) . .
N4 Fe1 N3 81.2(2) . .
N6 Fe1 N3 91.0(2) . .
N5 Fe1 N3 95.7(2) . .
O2 Fe2 O1 106.42(19) . .
O2 Fe2 N2 91.09(17) . 2_645
O1 Fe2 N2 92.5(2) . 2_645
O2 Fe2 N1 93.02(17) . .
O1 Fe2 N1 90.6(2) . .
N2 Fe2 N1 173.94(19) 2_645 .
O2 Fe2 N8 88.99(19) . .
O1 Fe2 N8 164.6(2) . .
N2 Fe2 N8 88.1(2) 2_645 .
N1 Fe2 N8 87.6(2) . .
O2 Fe2 N7 164.5(2) . .
O1 Fe2 N7 88.8(2) . .
N2 Fe2 N7 85.30(19) 2_645 .
N1 Fe2 N7 89.56(19) . .
N8 Fe2 N7 75.8(2) . .
N1 C1 Fe1 177.4(5) . .
N2 C2 Fe1 177.1(5) . .
N3 C3 C4 122.4(6) . .
N3 C3 H3A 118.8 . .
C4 C3 H3A 118.8 . .
C5 C4 C3 119.5(6) . .
C5 C4 H4A 120.3 . .
C3 C4 H4A 120.3 . .
C6 C5 C4 118.4(6) . .
C6 C5 H5A 120.8 . .
C4 C5 H5A 120.8 . .
C5 C6 C7 120.7(7) . .
C5 C6 H6A 119.7 . .
C7 C6 H6A 119.7 . .
N3 C7 C6 121.4(6) . .
N3 C7 C8 112.4(5) . .
C6 C7 C8 126.2(6) . .
N4 C8 C9 122.7(6) . .
N4 C8 C7 114.9(5) . .
C9 C8 C7 122.4(6) . .
C8 C9 C10 117.8(7) . .
C8 C9 H9A 121.1 . .
C10 C9 H9A 121.1 . .
C11 C10 C9 118.8(6) . .
C11 C10 H10A 120.6 . .
C9 C10 H10A 120.6 . .
C12 C11 C10 119.5(7) . .
C12 C11 H11A 120.2 . .
C10 C11 H11A 120.2 . .
N4 C12 C11 123.5(7) . .
N4 C12 H12A 118.2 . .
C11 C12 H12A 118.2 . .
N5 C13 C14 124.8(7) . .
N5 C13 H13A 117.6 . .
C14 C13 H13A 117.6 . .
C15 C14 C13 120.1(8) . .
C15 C14 H14A 120.0 . .
C13 C14 H14A 120.0 . .
C14 C15 C16 117.7(7) . .
C14 C15 H15A 121.1 . .
C16 C15 H15A 121.1 . .
C15 C16 C17 120.2(7) . .
C15 C16 H16A 119.9 . .
C17 C16 H16A 119.9 . .
N5 C17 C16 120.6(7) . .
N5 C17 C18 113.8(6) . .
C16 C17 C18 125.6(6) . .
C19 C18 N6 123.1(8) . .
C19 C18 C17 123.5(7) . .
N6 C18 C17 113.4(5) . .
C20 C19 C18 117.4(8) . .
C20 C19 H19A 121.3 . .
C18 C19 H19A 121.3 . .
C19 C20 C21 121.6(8) . .
C19 C20 H20A 119.2 . .
C21 C20 H20A 119.2 . .
C20 C21 C22 117.3(9) . .
C20 C21 H21A 121.4 . .
C22 C21 H21A 121.4 . .
N6 C22 C21 122.2(8) . .
N6 C22 H22A 118.9 . .
C21 C22 H22A 118.9 . .
O1 C23 C28 123.7(7) . .
O1 C23 C24 117.5(8) . .
C28 C23 C24 118.8(8) . .
C23 C24 C25 120.9(10) . .
C23 C24 H24A 119.6 . .
C25 C24 H24A 119.6 . .
C26 C25 C24 119.4(12) . .
C26 C25 H25A 120.3 . .
C24 C25 H25A 120.3 . .
C25 C26 C27 122.9(11) . .
C25 C26 H26A 118.6 . .
C27 C26 H26A 118.6 . .
C26 C27 C28 119.7(10) . .
C26 C27 H27A 120.2 . .
C28 C27 H27A 120.2 . .
C23 C28 C27 118.3(10) . .
C23 C28 C29 124.8(7) . .
C27 C28 C29 116.9(9) . .
N7 C29 C28 126.5(7) . .
N7 C29 H29A 116.7 . .
C28 C29 H29A 116.7 . .
C31 C30 N7 111.0(6) . .
C31 C30 H30A 109.4 . .
N7 C30 H30A 109.4 . .
C31 C30 H30B 109.4 . .
N7 C30 H30B 109.4 . .
H30A C30 H30B 108.0 . .
C30 C31 N8 109.1(6) . .
C30 C31 H31A 109.9 . .
N8 C31 H31A 109.9 . .
C30 C31 H31B 109.9 . .
N8 C31 H31B 109.9 . .
H31A C31 H31B 108.3 . .
N8 C32 C33 123.4(6) . .
N8 C32 H32A 118.3 . .
C33 C32 H32A 118.3 . .
C34 C33 C38 118.1(6) . .
C34 C33 C32 117.0(6) . .
C38 C33 C32 124.8(6) . .
C35 C34 C33 122.5(7) . .
C35 C34 H34A 118.7 . .
C33 C34 H34A 118.7 . .
C34 C35 C36 118.9(7) . .
C34 C35 H35A 120.5 . .
C36 C35 H35A 120.5 . .
C37 C36 C35 121.1(7) . .
C37 C36 H36A 119.4 . .
C35 C36 H36A 119.4 . .
C36 C37 C38 120.5(7) . .
C36 C37 H37A 119.8 . .
C38 C37 H37A 119.8 . .
O2 C38 C37 118.0(6) . .
O2 C38 C33 123.1(5) . .
C37 C38 C33 118.8(6) . .
N9 C39 H39A 109.5 . .
N9 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
N9 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
O3 C40 N9 140.9(16) . .
O3 C40 H40A 109.6 . .
N9 C40 H40A 109.6 . .
N9 C41 H41A 109.5 . .
N9 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
N9 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C43 C42 H42A 109.5 . .
C43 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C43 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
N10 C43 C42 178.9(14) . .
C1 N1 Fe2 159.6(5) . .
C2 N2 Fe2 168.6(4) . 2_655
C7 N3 C3 117.6(5) . .
C7 N3 Fe1 115.6(4) . .
C3 N3 Fe1 126.6(4) . .
C8 N4 C12 117.7(5) . .
C8 N4 Fe1 114.9(4) . .
C12 N4 Fe1 126.7(5) . .
C13 N5 C17 116.5(6) . .
C13 N5 Fe1 128.1(4) . .
C17 N5 Fe1 115.2(5) . .
C22 N6 C18 118.3(6) . .
C22 N6 Fe1 126.4(4) . .
C18 N6 Fe1 115.2(5) . .
C29 N7 C30 120.7(7) . .
C29 N7 Fe2 123.8(6) . .
C30 N7 Fe2 115.1(5) . .
C32 N8 C31 121.3(6) . .
C32 N8 Fe2 125.1(5) . .
C31 N8 Fe2 113.5(5) . .
C40 N9 C41 131.2(15) . .
C40 N9 C39 111.6(14) . .
C41 N9 C39 114.3(16) . .
C23 O1 Fe2 131.9(5) . .
C38 O2 Fe2 128.6(4) . .
F3 P1 F4 97.0(5) . .
F3 P1 F2 171.7(5) . .
F4 P1 F2 91.3(5) . .
F3 P1 F1 89.2(4) . .
F4 P1 F1 90.4(4) . .
F2 P1 F1 91.3(5) . .
F3 P1 F5 90.8(4) . .
F4 P1 F5 90.5(4) . .
F2 P1 F5 88.6(5) . .
F1 P1 F5 179.1(5) . .
F3 P1 F6 88.0(4) . .
F4 P1 F6 175.0(4) . .
F2 P1 F6 83.7(4) . .
F1 P1 F6 90.1(4) . .
F5 P1 F6 89.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C1 1.867(6) .
Fe1 C2 1.889(6) .
Fe1 N4 1.965(5) .
Fe1 N6 1.978(5) .
Fe1 N5 1.985(5) .
Fe1 N3 1.996(5) .
Fe2 O2 1.911(4) .
Fe2 O1 1.924(5) .
Fe2 N2 2.086(5) 2_645
Fe2 N1 2.109(5) .
Fe2 N8 2.113(6) .
Fe2 N7 2.144(5) .
C1 N1 1.163(7) .
C2 N2 1.162(7) .
C3 N3 1.359(7) .
C3 C4 1.376(9) .
C3 H3A 0.9300 .
C4 C5 1.369(10) .
C4 H4A 0.9300 .
C5 C6 1.368(10) .
C5 H5A 0.9300 .
C6 C7 1.377(9) .
C6 H6A 0.9300 .
C7 N3 1.349(8) .
C7 C8 1.492(9) .
C8 N4 1.348(7) .
C8 C9 1.392(9) .
C9 C10 1.428(10) .
C9 H9A 0.9300 .
C10 C11 1.368(10) .
C10 H10A 0.9300 .
C11 C12 1.368(9) .
C11 H11A 0.9300 .
C12 N4 1.353(8) .
C12 H12A 0.9300 .
C13 N5 1.315(8) .
C13 C14 1.362(9) .
C13 H13A 0.9300 .
C14 C15 1.357(10) .
C14 H14A 0.9300 .
C15 C16 1.365(10) .
C15 H15A 0.9300 .
C16 C17 1.411(9) .
C16 H16A 0.9300 .
C17 N5 1.370(8) .
C17 C18 1.504(10) .
C18 C19 1.369(10) .
C18 N6 1.382(8) .
C19 C20 1.348(12) .
C19 H19A 0.9300 .
C20 C21 1.388(12) .
C20 H20A 0.9300 .
C21 C22 1.414(10) .
C21 H21A 0.9300 .
C22 N6 1.294(8) .
C22 H22A 0.9300 .
C23 O1 1.331(8) .
C23 C28 1.395(12) .
C23 C24 1.422(11) .
C24 C25 1.425(12) .
C24 H24A 0.9300 .
C25 C26 1.297(15) .
C25 H25A 0.9300 .
C26 C27 1.407(15) .
C26 H26A 0.9300 .
C27 C28 1.434(11) .
C27 H27A 0.9300 .
C28 C29 1.436(12) .
C29 N7 1.296(9) .
C29 H29A 0.9300 .
C30 C31 1.432(11) .
C30 N7 1.445(10) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 N8 1.465(8) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 N8 1.283(8) .
C32 C33 1.478(9) .
C32 H32A 0.9300 .
C33 C34 1.407(9) .
C33 C38 1.416(9) .
C34 C35 1.356(11) .
C34 H34A 0.9300 .
C35 C36 1.383(11) .
C35 H35A 0.9300 .
C36 C37 1.383(9) .
C36 H36A 0.9300 .
C37 C38 1.399(8) .
C37 H37A 0.9300 .
C38 O2 1.341(7) .
C39 N9 1.61(3) .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 O3 1.164(14) .
C40 N9 1.290(15) .
C40 H40A 0.9300 .
C41 N9 1.306(18) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C42 C43 1.414(12) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 N10 1.119(11) .
N2 Fe2 2.086(5) 2_655
P1 F3 1.520(6) .
P1 F4 1.551(7) .
P1 F2 1.552(8) .
P1 F1 1.561(6) .
P1 F5 1.576(7) .
P1 F6 1.619(7) .
