#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/44/4324413.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_4324413
loop_
_publ_author_name
'Daniela I. Bezuidenhout'
'Simon Lotz'
'Marilé Landman'
'David C. Liles'
_publ_section_title
;
 Synthesis, Characterization, and Structural Studies of Multimetallic
 Ferrocenyl Carbene Complexes of Group VII Transition Metals
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1521
_journal_page_last               1533
_journal_paper_doi               10.1021/ic101784w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C32 H28 Cl2 Fe2 O8 Re2, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C32.5 H29 Cl3 Fe2 O8 Re2'
_chemical_formula_weight         1138.01
_chemical_name_systematic
; 
 bis[μ²-Chloro-(tricarbonyl)-(ethoxy-ferrocenyl-methylidene)-rhenium] 
hemi(dichloromethane) solvate  
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 100.1860(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.2670(16)
_cell_length_b                   15.2017(11)
_cell_length_c                   21.6438(15)
_cell_measurement_reflns_used    7233
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.255
_cell_measurement_theta_min      2.384
_cell_volume                     7210.9(9)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
' ORTEP-3 for Windows (Farrugia, 1997), POV-Ray (The POV-Ray Team, 2004)'
_computing_structure_refinement  'SHELXTL and SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL (Bruker, 2001)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'SMART 1000 CCD'
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  'Bruker (Seimens) P4'
_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  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0370
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18498
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.25
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    7.751
_exptl_absorpt_correction_T_max  0.133
_exptl_absorpt_correction_T_min  0.069
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    2.097
_exptl_crystal_description       rhomb
_exptl_crystal_F_000             4328
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.26
_refine_diff_density_max         2.194
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.156
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     431
_refine_ls_number_reflns         6671
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0346
_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)+(0.0352P)²+38.6157P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
_refine_ls_wR_factor_ref         0.0927
_reflns_number_gt                6000
_reflns_number_total             6671
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic101784w_si_001_4.cif
_cod_data_source_block           Complex_6
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C32.50 H29 Cl3 Fe2 O8 Re2'
_cod_database_code               4324413
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Re1 Re 0.192298(10) 0.425346(15) 0.050291(11) 0.04070(9) Uani 1 1 d .
Re2 Re 0.056075(10) 0.289057(16) -0.040485(11) 0.04295(9) Uani 1 1 d .
Cl1 Cl 0.07895(7) 0.43753(9) 0.01056(8) 0.0484(3) Uani 1 1 d .
Cl2 Cl 0.17001(7) 0.27689(10) -0.00142(7) 0.0469(3) Uani 1 1 d .
C1 C 0.2066(3) 0.4734(5) -0.0295(4) 0.0634(18) Uani 1 1 d .
O1 O 0.2152(3) 0.5031(5) -0.0755(3) 0.100(2) Uani 1 1 d .
C2 C 0.2778(3) 0.4114(4) 0.0737(3) 0.0511(15) Uani 1 1 d .
O2 O 0.3302(2) 0.4083(3) 0.0863(3) 0.0662(13) Uani 1 1 d .
C3 C 0.2045(3) 0.5377(5) 0.0869(3) 0.0544(15) Uani 1 1 d .
O3 O 0.2135(2) 0.6074(4) 0.1086(3) 0.0798(16) Uani 1 1 d .
C4 C 0.1727(3) 0.3645(4) 0.1353(3) 0.0451(13) Uani 1 1 d .
O4 O 0.1333(2) 0.3916(3) 0.1703(2) 0.0624(12) Uani 1 1 d .
C5 C 0.0737(4) 0.3363(6) -0.1196(4) 0.074(2) Uani 1 1 d .
O5 O 0.0834(4) 0.3650(6) -0.1650(3) 0.131(3) Uani 1 1 d .
C6 C 0.0404(3) 0.1793(5) -0.0808(3) 0.0612(17) Uani 1 1 d .
O6 O 0.0282(3) 0.1144(4) -0.1075(3) 0.098(2) Uani 1 1 d .
C7 C -0.0273(3) 0.3150(5) -0.0693(3) 0.0537(15) Uani 1 1 d .
O7 O -0.0765(2) 0.3323(4) -0.0901(3) 0.0729(14) Uani 1 1 d .
C8 C 0.0410(3) 0.2416(4) 0.0499(3) 0.0418(12) Uani 1 1 d .
O8 O 0.0643(2) 0.1699(3) 0.0796(2) 0.0621(12) Uani 1 1 d .
Fe1 Fe 0.27028(5) 0.28562(6) 0.23066(5) 0.0582(3) Uani 1 1 d .
C9 C 0.1968(3) 0.2817(4) 0.1602(3) 0.0458(13) Uani 1 1 d .
C10 C 0.1834(4) 0.2406(5) 0.2161(3) 0.0623(18) Uani 1 1 d .
H10 H 0.1514 0.2586 0.2393 0.075 Uiso 1 1 calc R
C11 C 0.2235(4) 0.1693(5) 0.2311(4) 0.0672(19) Uani 1 1 d .
H11 H 0.2249 0.1302 0.2674 0.081 Uiso 1 1 calc R
C12 C 0.2626(3) 0.1653(4) 0.1872(4) 0.0617(17) Uani 1 1 d .
H12 H 0.2957 0.1229 0.1875 0.074 Uiso 1 1 calc R
C13 C 0.2469(3) 0.2333(4) 0.1429(3) 0.0503(14) Uani 1 1 d .
H13 H 0.2668 0.2457 0.1069 0.060 Uiso 1 1 calc R
C14 C 0.3042(7) 0.4096(7) 0.2442(5) 0.107(4) Uani 1 1 d .
H14 H 0.2905 0.4607 0.2178 0.128 Uiso 1 1 calc R
C15 C 0.2789(6) 0.3809(8) 0.2982(5) 0.109(4) Uani 1 1 d .
H15 H 0.2464 0.4089 0.3166 0.131 Uiso 1 1 calc R
C16 C 0.3139(7) 0.3065(8) 0.3203(5) 0.111(4) Uani 1 1 d .
H16 H 0.3086 0.2710 0.3568 0.133 Uiso 1 1 calc R
C17 C 0.3568(6) 0.2904(8) 0.2815(6) 0.110(4) Uani 1 1 d .
H17 H 0.3868 0.2426 0.2863 0.131 Uiso 1 1 calc R
C18 C 0.3498(5) 0.3541(9) 0.2361(6) 0.107(4) Uani 1 1 d .
H18 H 0.3738 0.3585 0.2024 0.128 Uiso 1 1 calc R
Fe2 Fe -0.08357(4) 0.24882(7) 0.08601(5) 0.0559(2) Uani 1 1 d .
C19 C 0.0046(3) 0.2850(4) 0.0895(3) 0.0417(12) Uani 1 1 d .
C20 C -0.0354(3) 0.3590(4) 0.0735(3) 0.0477(13) Uani 1 1 d .
H20 H -0.0395 0.3941 0.0350 0.057 Uiso 1 1 calc R
C21 C -0.0669(3) 0.3726(5) 0.1231(3) 0.0597(17) Uani 1 1 d .
H21 H -0.0979 0.4181 0.1245 0.072 Uiso 1 1 calc R
C22 C -0.0491(3) 0.3082(5) 0.1696(3) 0.0638(18) Uani 1 1 d .
H22 H -0.0650 0.3019 0.2088 0.077 Uiso 1 1 calc R
C23 C -0.0050(3) 0.2537(5) 0.1497(3) 0.0526(15) Uani 1 1 d .
H23 H 0.0156 0.2037 0.1728 0.063 Uiso 1 1 calc R
C24 C -0.1129(6) 0.1670(9) 0.0133(5) 0.111(4) Uani 1 1 d .
H24 H -0.0893 0.1522 -0.0194 0.134 Uiso 1 1 calc R
C25 C -0.1526(6) 0.2362(10) 0.0098(6) 0.113(4) Uani 1 1 d .
H25 H -0.1634 0.2776 -0.0250 0.136 Uiso 1 1 calc R
C26 C -0.1760(4) 0.2332(10) 0.0644(8) 0.121(4) Uani 1 1 d .
H26 H -0.2056 0.2754 0.0755 0.145 Uiso 1 1 calc R
C27 C -0.1500(5) 0.1655(10) 0.1033(6) 0.116(4) Uani 1 1 d .
H27 H -0.1594 0.1494 0.1443 0.139 Uiso 1 1 calc R
C28 C -0.1093(5) 0.1213(7) 0.0695(6) 0.102(3) Uani 1 1 d .
H28 H -0.0850 0.0686 0.0826 0.122 Uiso 1 1 calc R
C29 C 0.1028(5) 0.4762(6) 0.1635(4) 0.085(3) Uani 1 1 d .
H29A H 0.1307 0.5204 0.1528 0.102 Uiso 1 1 calc R
H29B H 0.0682 0.4732 0.1294 0.102 Uiso 1 1 calc R
C30 C 0.0833(9) 0.5005(8) 0.2168(6) 0.177(8) Uani 1 1 d .
H30A H 0.0585 0.4545 0.2295 0.213 Uiso 1 1 calc R
H30B H 0.0597 0.5534 0.2094 0.213 Uiso 1 1 calc R
H30C H 0.1179 0.5106 0.2494 0.213 Uiso 1 1 calc R
C31 C 0.0998(5) 0.1047(6) 0.0522(5) 0.091(3) Uani 1 1 d .
H31A H 0.0761 0.0826 0.0133 0.109 Uiso 1 1 calc R
H31B H 0.1365 0.1318 0.0426 0.109 Uiso 1 1 calc R
C32 C 0.1155(7) 0.0346(7) 0.0947(6) 0.125(4) Uani 1 1 d .
H32A H 0.1309 0.0578 0.1357 0.187 Uiso 1 1 calc R
H32B H 0.1463 -0.0009 0.0810 0.187 Uiso 1 1 calc R
H32C H 0.0801 -0.0006 0.0963 0.187 Uiso 1 1 calc R
Cl3 Cl 0.0645(3) 0.0605(4) 0.2546(3) 0.187(2) Uani 1 1 d .
C33 C 0.0000 -0.0075(18) 0.2500 0.25(2) Uani 1 2 d S
H33A H 0.0039 -0.0448 0.2869 0.304 Uiso 0.50 1 calc PR
H33B H -0.0039 -0.0448 0.2131 0.304 Uiso 0.50 1 calc PR
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'
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'
Re Re -1.0185 7.2310 '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
C3 Re1 C2 85.8(3) . .
C3 Re1 C1 90.0(3) . .
C2 Re1 C1 88.0(3) . .
C3 Re1 C4 93.7(3) . .
C2 Re1 C4 94.0(3) . .
C1 Re1 C4 175.9(3) . .
C3 Re1 Cl1 97.90(19) . .
C2 Re1 Cl1 175.2(2) . .
C1 Re1 Cl1 88.9(2) . .
C4 Re1 Cl1 88.90(16) . .
C3 Re1 Cl2 176.8(2) . .
C2 Re1 Cl2 97.3(2) . .
C1 Re1 Cl2 89.6(2) . .
C4 Re1 Cl2 86.67(16) . .
Cl1 Re1 Cl2 78.97(5) . .
C6 Re2 C7 86.6(3) . .
C6 Re2 C5 88.2(4) . .
C7 Re2 C5 88.4(3) . .
C6 Re2 C8 94.4(3) . .
C7 Re2 C8 93.9(2) . .
C5 Re2 C8 176.6(3) . .
C6 Re2 Cl1 178.1(2) . .
C7 Re2 Cl1 93.9(2) . .
C5 Re2 Cl1 89.9(3) . .
C8 Re2 Cl1 87.38(16) . .
C6 Re2 Cl2 100.5(2) . .
C7 Re2 Cl2 172.2(2) . .
C5 Re2 Cl2 88.6(2) . .
C8 Re2 Cl2 88.88(15) . .
Cl1 Re2 Cl2 78.86(5) . .
Re2 Cl1 Re1 101.28(5) . .
Re1 Cl2 Re2 100.90(5) . .
O1 C1 Re1 178.5(8) . .
O2 C2 Re1 175.5(6) . .
O3 C3 Re1 177.8(6) . .
O4 C4 C9 107.4(5) . .
O4 C4 Re1 127.4(4) . .
C9 C4 Re1 125.0(4) . .
C4 O4 C29 124.3(5) . .
O5 C5 Re2 178.7(9) . .
O6 C6 Re2 176.2(7) . .
O7 C7 Re2 175.9(6) . .
O8 C8 C19 107.6(5) . .
O8 C8 Re2 127.1(4) . .
C19 C8 Re2 125.3(4) . .
C8 O8 C31 123.8(5) . .
C10 Fe1 C9 41.6(3) . .
C10 Fe1 C14 131.1(5) . .
C9 Fe1 C14 111.4(4) . .
C10 Fe1 C16 118.8(5) . .
C9 Fe1 C16 154.9(5) . .
C14 Fe1 C16 67.4(4) . .
C10 Fe1 C18 168.0(5) . .
C9 Fe1 C18 129.4(4) . .
C14 Fe1 C18 38.9(5) . .
C16 Fe1 C18 66.6(5) . .
C10 Fe1 C13 69.2(3) . .
C9 Fe1 C13 41.4(2) . .
C14 Fe1 C13 121.5(4) . .
C16 Fe1 C13 161.5(5) . .
C18 Fe1 C13 109.2(4) . .
C10 Fe1 C15 108.5(4) . .
C9 Fe1 C15 121.3(4) . .
C14 Fe1 C15 41.8(5) . .
C16 Fe1 C15 40.4(4) . .
C18 Fe1 C15 68.1(5) . .
C13 Fe1 C15 156.8(4) . .
C10 Fe1 C17 151.6(4) . .
C9 Fe1 C17 164.3(5) . .
C14 Fe1 C17 66.3(5) . .
C16 Fe1 C17 40.2(5) . .
C18 Fe1 C17 39.2(5) . .
C13 Fe1 C17 125.2(5) . .
C15 Fe1 C17 68.2(5) . .
C10 Fe1 C12 68.1(3) . .
C9 Fe1 C12 68.8(3) . .
C14 Fe1 C12 153.2(5) . .
C16 Fe1 C12 124.3(4) . .
C18 Fe1 C12 118.9(5) . .
C13 Fe1 C12 40.3(3) . .
C15 Fe1 C12 161.9(4) . .
C17 Fe1 C12 105.9(4) . .
C10 Fe1 C11 40.3(3) . .
C9 Fe1 C11 68.7(3) . .
C14 Fe1 C11 166.9(5) . .
C16 Fe1 C11 106.6(4) . .
C18 Fe1 C11 151.1(5) . .
C13 Fe1 C11 67.8(3) . .
C15 Fe1 C11 126.2(5) . .
C17 Fe1 C11 117.3(4) . .
C12 Fe1 C11 39.9(3) . .
C4 C9 C10 125.2(6) . .
C4 C9 C13 127.3(6) . .
C10 C9 C13 106.4(6) . .
C4 C9 Fe1 117.0(4) . .
C10 C9 Fe1 68.9(4) . .
C13 C9 Fe1 69.6(4) . .
C11 C10 C9 108.1(6) . .
C11 C10 Fe1 71.0(5) . .
C9 C10 Fe1 69.4(4) . .
C11 C10 H10 125.9 . .
C9 C10 H10 125.9 . .
Fe1 C10 H10 125.9 . .
C12 C11 C10 108.8(6) . .
C12 C11 Fe1 69.9(4) . .
C10 C11 Fe1 68.7(4) . .
C12 C11 H11 125.6 . .
C10 C11 H11 125.6 . .
Fe1 C11 H11 125.6 . .
C11 C12 C13 108.8(6) . .
C11 C12 Fe1 70.2(4) . .
C13 C12 Fe1 69.4(4) . .
C11 C12 H12 125.6 . .
C13 C12 H12 125.6 . .
Fe1 C12 H12 125.6 . .
C12 C13 C9 107.9(6) . .
C12 C13 Fe1 70.2(4) . .
C9 C13 Fe1 68.9(4) . .
C12 C13 H13 126.0 . .
C9 C13 H13 126.0 . .
Fe1 C13 H13 126.0 . .
C18 C14 C15 108.9(11) . .
C18 C14 Fe1 70.8(6) . .
C15 C14 Fe1 69.5(6) . .
C18 C14 H14 125.5 . .
C15 C14 H14 125.5 . .
Fe1 C14 H14 125.5 . .
C16 C15 C14 104.1(11) . .
C16 C15 Fe1 69.5(6) . .
C14 C15 Fe1 68.7(5) . .
C16 C15 H15 127.9 . .
C14 C15 H15 127.9 . .
Fe1 C15 H15 127.9 . .
C17 C16 C15 109.4(11) . .
C17 C16 Fe1 70.3(6) . .
C15 C16 Fe1 70.1(5) . .
C17 C16 H16 125.3 . .
C15 C16 H16 125.3 . .
Fe1 C16 H16 125.3 . .
C18 C17 C16 107.7(12) . .
C18 C17 Fe1 70.2(6) . .
C16 C17 Fe1 69.5(7) . .
C18 C17 H17 126.2 . .
C16 C17 H17 126.2 . .
Fe1 C17 H17 126.2 . .
C14 C18 C17 109.9(12) . .
C14 C18 Fe1 70.3(6) . .
C17 C18 Fe1 70.6(7) . .
C14 C18 H18 125.1 . .
C17 C18 H18 125.1 . .
Fe1 C18 H18 125.1 . .
C24 Fe2 C19 112.0(4) . .
C24 Fe2 C23 132.3(5) . .
C19 Fe2 C23 41.5(2) . .
C24 Fe2 C27 67.3(5) . .
C19 Fe2 C27 153.4(5) . .
C23 Fe2 C27 117.8(4) . .
C24 Fe2 C20 120.6(4) . .
C19 Fe2 C20 41.5(2) . .
C23 Fe2 C20 69.4(3) . .
C27 Fe2 C20 163.0(5) . .
C24 Fe2 C28 40.1(4) . .
C19 Fe2 C28 120.4(4) . .
C23 Fe2 C28 109.7(4) . .
C27 Fe2 C28 41.1(5) . .
C20 Fe2 C28 154.2(4) . .
C24 Fe2 C26 64.9(6) . .
C19 Fe2 C26 166.0(5) . .
C23 Fe2 C26 150.8(5) . .
C27 Fe2 C26 39.8(5) . .
C20 Fe2 C26 126.8(5) . .
C28 Fe2 C26 66.9(5) . .
C24 Fe2 C22 168.2(5) . .
C19 Fe2 C22 68.8(3) . .
C23 Fe2 C22 40.4(3) . .
C27 Fe2 C22 106.5(4) . .
C20 Fe2 C22 68.3(3) . .
C28 Fe2 C22 128.7(4) . .
C26 Fe2 C22 117.3(5) . .
C24 Fe2 C21 151.6(5) . .
C19 Fe2 C21 68.3(2) . .
C23 Fe2 C21 68.0(3) . .
C27 Fe2 C21 125.9(5) . .
C20 Fe2 C21 40.0(2) . .
C28 Fe2 C21 165.3(4) . .
C26 Fe2 C21 107.5(5) . .
C22 Fe2 C21 40.2(3) . .
C24 Fe2 C25 39.2(5) . .
C19 Fe2 C25 129.6(4) . .
C23 Fe2 C25 169.1(5) . .
C27 Fe2 C25 67.8(5) . .
C20 Fe2 C25 107.9(4) . .
C28 Fe2 C25 67.8(5) . .
C26 Fe2 C25 39.2(5) . .
C22 Fe2 C25 149.5(6) . .
C21 Fe2 C25 117.2(5) . .
C23 C19 C20 107.0(5) . .
C23 C19 C8 125.3(5) . .
C20 C19 C8 127.2(5) . .
C23 C19 Fe2 69.3(3) . .
C20 C19 Fe2 69.5(3) . .
C8 C19 Fe2 119.7(4) . .
C21 C20 C19 107.7(6) . .
C21 C20 Fe2 70.8(4) . .
C19 C20 Fe2 69.0(3) . .
C21 C20 H20 126.2 . .
C19 C20 H20 126.2 . .
Fe2 C20 H20 126.2 . .
C20 C21 C22 109.2(6) . .
C20 C21 Fe2 69.2(4) . .
C22 C21 Fe2 69.6(4) . .
C20 C21 H21 125.4 . .
C22 C21 H21 125.4 . .
Fe2 C21 H21 125.4 . .
C23 C22 C21 108.3(6) . .
C23 C22 Fe2 69.1(4) . .
C21 C22 Fe2 70.2(4) . .
C23 C22 H22 125.9 . .
C21 C22 H22 125.9 . .
Fe2 C22 H22 125.9 . .
C22 C23 C19 107.8(6) . .
C22 C23 Fe2 70.5(4) . .
C19 C23 Fe2 69.2(3) . .
C22 C23 H23 126.1 . .
C19 C23 H23 126.1 . .
Fe2 C23 H23 126.1 . .
C25 C24 C28 111.7(12) . .
C25 C24 Fe2 71.7(7) . .
C28 C24 Fe2 70.5(6) . .
C25 C24 H24 124.2 . .
C28 C24 H24 124.2 . .
Fe2 C24 H24 124.2 . .
C24 C25 C26 105.5(12) . .
C24 C25 Fe2 69.1(6) . .
C26 C25 Fe2 69.9(6) . .
C24 C25 H25 127.2 . .
C26 C25 H25 127.2 . .
Fe2 C25 H25 127.2 . .
C25 C26 C27 111.4(13) . .
C25 C26 Fe2 70.9(6) . .
C27 C26 Fe2 69.7(6) . .
C25 C26 H26 124.3 . .
C27 C26 H26 124.3 . .
Fe2 C26 H26 124.3 . .
C26 C27 C28 105.9(11) . .
C26 C27 Fe2 70.5(6) . .
C28 C27 Fe2 69.5(5) . .
C26 C27 H27 127.0 . .
C28 C27 H27 127.0 . .
Fe2 C27 H27 127.0 . .
C24 C28 C27 105.5(11) . .
C24 C28 Fe2 69.4(6) . .
C27 C28 Fe2 69.3(6) . .
C24 C28 H28 127.2 . .
C27 C28 H28 127.2 . .
Fe2 C28 H28 127.2 . .
C30 C29 O4 111.7(8) . .
C30 C29 H29A 109.3 . .
O4 C29 H29A 109.3 . .
C30 C29 H29B 109.3 . .
O4 C29 H29B 109.3 . .
H29A C29 H29B 107.9 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C32 C31 O8 109.8(8) . .
C32 C31 H31A 109.7 . .
O8 C31 H31A 109.7 . .
C32 C31 H31B 109.7 . .
O8 C31 H31B 109.7 . .
H31A C31 H31B 108.2 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
Cl3 C33 Cl3 108.0(15) . 2
Cl3 C33 H33A 110.1 . .
Cl3 C33 H33A 110.1 2 .
Cl3 C33 H33B 110.1 . .
Cl3 C33 H33B 110.1 2 .
H33A C33 H33B 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 C3 1.882(7) .
Re1 C2 1.894(7) .
Re1 C1 1.953(7) .
Re1 C4 2.171(6) .
Re1 Cl1 2.5252(15) .
Re1 Cl2 2.5289(15) .
Re2 C6 1.887(8) .
Re2 C7 1.892(7) .
Re2 C5 1.959(8) .
Re2 C8 2.166(6) .
Re2 Cl1 2.5249(15) .
Re2 Cl2 2.5351(15) .
C1 O1 1.140(8) .
C2 O2 1.150(8) .
C3 O3 1.162(8) .
C4 O4 1.321(7) .
C4 C9 1.437(9) .
O4 C29 1.451(9) .
C5 O5 1.131(9) .
C6 O6 1.151(9) .
C7 O7 1.140(8) .
C8 O8 1.324(7) .
C8 C19 1.441(8) .
O8 C31 1.457(9) .
Fe1 C10 2.024(8) .
Fe1 C9 2.030(6) .
Fe1 C14 2.032(9) .
Fe1 C16 2.035(9) .
Fe1 C18 2.039(10) .
Fe1 C13 2.040(6) .
Fe1 C15 2.043(9) .
Fe1 C17 2.044(11) .
Fe1 C12 2.050(7) .
Fe1 C11 2.054(8) .
C9 C10 1.440(9) .
C9 C13 1.440(9) .
C10 C11 1.405(10) .
C10 H10 0.9800 .
C11 C12 1.400(10) .
C11 H11 0.9800 .
C12 C13 1.410(9) .
C12 H12 0.9800 .
C13 H13 0.9800 .
C14 C18 1.354(16) .
C14 C15 1.453(16) .
C14 H14 0.9800 .
C15 C16 1.408(16) .
C15 H15 0.9800 .
C16 C17 1.400(17) .
C16 H16 0.9800 .
C17 C18 1.369(16) .
C17 H17 0.9800 .
C18 H18 0.9800 .
Fe2 C24 2.022(10) .
Fe2 C19 2.027(6) .
Fe2 C23 2.027(7) .
Fe2 C27 2.032(8) .
Fe2 C20 2.033(6) .
Fe2 C28 2.035(9) .
Fe2 C26 2.042(9) .
Fe2 C22 2.046(8) .
Fe2 C21 2.054(7) .
Fe2 C25 2.055(10) .
C19 C23 1.437(8) .
C19 C20 1.438(8) .
C20 C21 1.399(9) .
C20 H20 0.9800 .
C21 C22 1.410(11) .
C21 H21 0.9800 .
C22 C23 1.408(10) .
C22 H22 0.9800 .
C23 H23 0.9800 .
C24 C25 1.367(18) .
C24 C28 1.391(15) .
C24 H24 0.9800 .
C25 C26 1.373(18) .
C25 H25 0.9800 .
C26 C27 1.388(17) .
C26 H26 0.9800 .
C27 C28 1.429(17) .
C27 H27 0.9800 .
C28 H28 0.9800 .
C29 C30 1.355(12) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.411(13) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
Cl3 C33 1.758(16) .
C33 Cl3 1.758(16) 2
C33 H33A 0.9700 .
C33 H33B 0.9700 .
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
C7 Re2 Cl1 Re1 -177.3(2)
C5 Re2 Cl1 Re1 -89.0(2)
C8 Re2 Cl1 Re1 88.97(16)
Cl2 Re2 Cl1 Re1 -0.40(5)
C3 Re1 Cl1 Re2 180.0(2)
C1 Re1 Cl1 Re2 90.2(2)
C4 Re1 Cl1 Re2 -86.42(16)
Cl2 Re1 Cl1 Re2 0.40(5)
C2 Re1 Cl2 Re2 -177.3(2)
C1 Re1 Cl2 Re2 -89.4(2)
C4 Re1 Cl2 Re2 89.12(16)
Cl1 Re1 Cl2 Re2 -0.40(5)
C6 Re2 Cl2 Re1 178.5(2)
C7 Re2 Cl2 Re1 23.6(15)
C5 Re2 Cl2 Re1 90.6(3)
C8 Re2 Cl2 Re1 -87.15(16)
Cl1 Re2 Cl2 Re1 0.40(5)
C6 Re2 C8 O8 48.6(6)
C7 Re2 C8 O8 135.5(6)
Cl1 Re2 C8 O8 -130.7(5)
Cl2 Re2 C8 O8 -51.8(5)
C6 Re2 C8 C19 -133.4(5)
C7 Re2 C8 C19 -46.5(5)
Cl1 Re2 C8 C19 47.3(5)
Cl2 Re2 C8 C19 126.2(5)
C19 C8 O8 C31 174.8(7)
Re2 C8 O8 C31 -6.9(10)
O4 C4 C9 C10 -4.4(9)
Re1 C4 C9 C10 -179.3(5)
O4 C4 C9 C13 -170.8(6)
Re1 C4 C9 C13 14.3(9)
O4 C4 C9 Fe1 -86.7(6)
Re1 C4 C9 Fe1 98.4(5)
C10 Fe1 C9 C4 119.8(6)
C14 Fe1 C9 C4 -8.6(7)
C16 Fe1 C9 C4 73.6(10)
C18 Fe1 C9 C4 -49.1(8)
C13 Fe1 C9 C4 -122.5(6)
C15 Fe1 C9 C4 37.0(7)
C17 Fe1 C9 C4 -87.1(15)
C12 Fe1 C9 C4 -159.7(5)
C11 Fe1 C9 C4 157.3(5)
C14 Fe1 C9 C10 -128.4(6)
C16 Fe1 C9 C10 -46.2(10)
C18 Fe1 C9 C10 -168.9(6)
C13 Fe1 C9 C10 117.8(5)
C15 Fe1 C9 C10 -82.7(6)
C17 Fe1 C9 C10 153.1(14)
C12 Fe1 C9 C10 80.5(4)
C11 Fe1 C9 C10 37.5(4)
C10 Fe1 C9 C13 -117.8(5)
C14 Fe1 C9 C13 113.9(6)
C16 Fe1 C9 C13 -164.0(9)
C18 Fe1 C9 C13 73.3(7)
C15 Fe1 C9 C13 159.5(6)
C17 Fe1 C9 C13 35.4(16)
C12 Fe1 C9 C13 -37.3(4)
C11 Fe1 C9 C13 -80.2(4)
C4 C9 C10 C11 -169.7(6)
C13 C9 C10 C11 -0.9(8)
Fe1 C9 C10 C11 -60.8(6)
C4 C9 C10 Fe1 -108.9(6)
C13 C9 C10 Fe1 59.9(4)
C9 Fe1 C10 C11 118.7(6)
C14 Fe1 C10 C11 -165.8(6)
C16 Fe1 C10 C11 -81.7(6)
C18 Fe1 C10 C11 164.2(19)
C13 Fe1 C10 C11 79.9(5)
C15 Fe1 C10 C11 -124.6(6)
C17 Fe1 C10 C11 -46.4(11)
C12 Fe1 C10 C11 36.5(4)
C14 Fe1 C10 C9 75.4(6)
C16 Fe1 C10 C9 159.6(5)
C18 Fe1 C10 C9 45(2)
C13 Fe1 C10 C9 -38.8(4)
C15 Fe1 C10 C9 116.7(5)
C17 Fe1 C10 C9 -165.1(9)
C12 Fe1 C10 C9 -82.2(4)
C11 Fe1 C10 C9 -118.7(6)
C9 C10 C11 C12 1.2(9)
Fe1 C10 C11 C12 -58.5(6)
C9 C10 C11 Fe1 59.8(5)
C10 Fe1 C11 C12 120.7(6)
C9 Fe1 C11 C12 82.0(5)
C14 Fe1 C11 C12 175.0(16)
C16 Fe1 C11 C12 -124.1(6)
C18 Fe1 C11 C12 -52.5(10)
C13 Fe1 C11 C12 37.2(4)
C15 Fe1 C11 C12 -164.1(6)
C17 Fe1 C11 C12 -82.1(6)
C9 Fe1 C11 C10 -38.7(4)
C14 Fe1 C11 C10 54.3(18)
C16 Fe1 C11 C10 115.2(6)
C18 Fe1 C11 C10 -173.2(8)
C13 Fe1 C11 C10 -83.5(5)
C15 Fe1 C11 C10 75.2(6)
C17 Fe1 C11 C10 157.2(6)
C12 Fe1 C11 C10 -120.7(6)
C10 C11 C12 C13 -1.1(9)
Fe1 C11 C12 C13 -58.9(5)
C10 C11 C12 Fe1 57.8(6)
C10 Fe1 C12 C11 -36.8(4)
C9 Fe1 C12 C11 -81.7(5)
C14 Fe1 C12 C11 -177.5(8)
C16 Fe1 C12 C11 74.0(7)
C18 Fe1 C12 C11 154.0(6)
C13 Fe1 C12 C11 -120.0(6)
C15 Fe1 C12 C11 45.6(15)
C17 Fe1 C12 C11 113.8(6)
C10 Fe1 C12 C13 83.2(4)
C9 Fe1 C12 C13 38.3(4)
C14 Fe1 C12 C13 -57.5(10)
C16 Fe1 C12 C13 -166.0(6)
C18 Fe1 C12 C13 -85.9(6)
C15 Fe1 C12 C13 165.6(13)
C17 Fe1 C12 C13 -126.2(6)
C11 Fe1 C12 C13 120.0(6)
C11 C12 C13 C9 0.5(8)
Fe1 C12 C13 C9 -58.8(4)
C11 C12 C13 Fe1 59.3(5)
C4 C9 C13 C12 168.7(6)
C10 C9 C13 C12 0.2(8)
Fe1 C9 C13 C12 59.6(5)
C4 C9 C13 Fe1 109.0(6)
C10 C9 C13 Fe1 -59.4(5)
C10 Fe1 C13 C12 -80.3(5)
C9 Fe1 C13 C12 -119.2(6)
C14 Fe1 C13 C12 153.5(6)
C16 Fe1 C13 C12 39.1(15)
C18 Fe1 C13 C12 112.4(6)
C15 Fe1 C13 C12 -168.7(11)
C17 Fe1 C13 C12 71.8(6)
C11 Fe1 C13 C12 -36.9(4)
C10 Fe1 C13 C9 39.0(4)
C14 Fe1 C13 C9 -87.3(6)
C16 Fe1 C13 C9 158.3(13)
C18 Fe1 C13 C9 -128.4(5)
C15 Fe1 C13 C9 -49.5(12)
C17 Fe1 C13 C9 -169.0(5)
C12 Fe1 C13 C9 119.2(6)
C11 Fe1 C13 C9 82.4(4)
C10 Fe1 C14 C18 -170.4(6)
C9 Fe1 C14 C18 -126.8(7)
C16 Fe1 C14 C18 80.3(8)
C13 Fe1 C14 C18 -81.5(8)
C15 Fe1 C14 C18 119.8(10)
C17 Fe1 C14 C18 36.4(8)
C12 Fe1 C14 C18 -41.7(12)
C11 Fe1 C14 C18 145.4(16)
C10 Fe1 C14 C15 69.8(8)
C9 Fe1 C14 C15 113.5(7)
C16 Fe1 C14 C15 -39.5(7)
C18 Fe1 C14 C15 -119.8(10)
C13 Fe1 C14 C15 158.7(6)
C17 Fe1 C14 C15 -83.3(8)
C12 Fe1 C14 C15 -161.5(8)
C11 Fe1 C14 C15 26(2)
C18 C14 C15 C16 0.8(11)
Fe1 C14 C15 C16 60.9(7)
C18 C14 C15 Fe1 -60.1(7)
C10 Fe1 C15 C16 113.1(8)
C9 Fe1 C15 C16 157.1(7)
C14 Fe1 C15 C16 -115.1(11)
C18 Fe1 C15 C16 -79.2(9)
C13 Fe1 C15 C16 -166.8(9)
C17 Fe1 C15 C16 -36.8(8)
C12 Fe1 C15 C16 37.3(18)
C11 Fe1 C15 C16 71.9(9)
C10 Fe1 C15 C14 -131.8(7)
C9 Fe1 C15 C14 -87.8(8)
C16 Fe1 C15 C14 115.1(11)
C18 Fe1 C15 C14 36.0(7)
C13 Fe1 C15 C14 -51.7(14)
C17 Fe1 C15 C14 78.3(8)
C12 Fe1 C15 C14 152.4(12)
C11 Fe1 C15 C14 -173.0(7)
C14 C15 C16 C17 -0.9(12)
Fe1 C15 C16 C17 59.5(8)
C14 C15 C16 Fe1 -60.4(6)
C10 Fe1 C16 C17 154.8(7)
C9 Fe1 C16 C17 -172.0(7)
C14 Fe1 C16 C17 -79.5(8)
C18 Fe1 C16 C17 -37.2(8)
C13 Fe1 C16 C17 43.2(17)
C15 Fe1 C16 C17 -120.3(11)
C12 Fe1 C16 C17 72.8(8)
C11 Fe1 C16 C17 112.9(7)
C10 Fe1 C16 C15 -84.9(8)
C9 Fe1 C16 C15 -51.7(13)
C14 Fe1 C16 C15 40.8(8)
C18 Fe1 C16 C15 83.1(9)
C13 Fe1 C16 C15 163.6(11)
C17 Fe1 C16 C15 120.3(11)
C12 Fe1 C16 C15 -166.9(7)
C11 Fe1 C16 C15 -126.8(8)
C15 C16 C17 C18 0.7(13)
Fe1 C16 C17 C18 60.1(7)
C15 C16 C17 Fe1 -59.4(7)
C10 Fe1 C17 C18 -170.3(8)
C9 Fe1 C17 C18 48.8(19)
C14 Fe1 C17 C18 -36.2(8)
C16 Fe1 C17 C18 -118.6(12)
C13 Fe1 C17 C18 76.8(9)
C15 Fe1 C17 C18 -81.6(9)
C12 Fe1 C17 C18 116.5(8)
C11 Fe1 C17 C18 157.8(8)
C10 Fe1 C17 C16 -51.7(13)
C9 Fe1 C17 C16 167.4(12)
C14 Fe1 C17 C16 82.5(8)
C18 Fe1 C17 C16 118.6(12)
C13 Fe1 C17 C16 -164.6(6)
C15 Fe1 C17 C16 37.0(7)
C12 Fe1 C17 C16 -124.9(7)
C11 Fe1 C17 C16 -83.5(8)
C15 C14 C18 C17 -0.5(12)
Fe1 C14 C18 C17 -59.7(8)
C15 C14 C18 Fe1 59.3(7)
C16 C17 C18 C14 -0.1(13)
Fe1 C17 C18 C14 59.6(8)
C16 C17 C18 Fe1 -59.7(8)
C10 Fe1 C18 C14 37(2)
C9 Fe1 C18 C14 74.7(8)
C16 Fe1 C18 C14 -82.5(8)
C13 Fe1 C18 C14 116.8(7)
C15 Fe1 C18 C14 -38.5(7)
C17 Fe1 C18 C14 -120.6(12)
C12 Fe1 C18 C14 159.9(6)
C11 Fe1 C18 C14 -164.5(7)
C10 Fe1 C18 C17 157.5(18)
C9 Fe1 C18 C17 -164.8(7)
C14 Fe1 C18 C17 120.6(12)
C16 Fe1 C18 C17 38.1(8)
C13 Fe1 C18 C17 -122.6(8)
C15 Fe1 C18 C17 82.0(9)
C12 Fe1 C18 C17 -79.5(9)
C11 Fe1 C18 C17 -43.9(13)
O8 C8 C19 C23 -1.2(8)
Re2 C8 C19 C23 -179.5(5)
O8 C8 C19 C20 -171.5(6)
Re2 C8 C19 C20 10.2(9)
O8 C8 C19 Fe2 -85.7(6)
Re2 C8 C19 Fe2 96.0(5)
C24 Fe2 C19 C23 -129.7(6)
C27 Fe2 C19 C23 -46.9(10)
C20 Fe2 C19 C23 118.4(5)
C28 Fe2 C19 C23 -85.7(6)
C26 Fe2 C19 C23 156(2)
C22 Fe2 C19 C23 37.6(4)
C21 Fe2 C19 C23 81.0(4)
C25 Fe2 C19 C23 -171.0(7)
C24 Fe2 C19 C20 111.9(6)
C23 Fe2 C19 C20 -118.4(5)
C27 Fe2 C19 C20 -165.3(9)
C28 Fe2 C19 C20 155.8(5)
C26 Fe2 C19 C20 37(2)
C22 Fe2 C19 C20 -80.8(4)
C21 Fe2 C19 C20 -37.5(4)
C25 Fe2 C19 C20 70.5(7)
C24 Fe2 C19 C8 -10.1(7)
C23 Fe2 C19 C8 119.6(6)
C27 Fe2 C19 C8 72.8(11)
C20 Fe2 C19 C8 -121.9(6)
C28 Fe2 C19 C8 33.9(7)
C26 Fe2 C19 C8 -84(2)
C22 Fe2 C19 C8 157.2(6)
C21 Fe2 C19 C8 -159.4(5)
C25 Fe2 C19 C8 -51.4(8)
C23 C19 C20 C21 1.2(7)
C8 C19 C20 C21 173.0(6)
Fe2 C19 C20 C21 60.6(5)
C23 C19 C20 Fe2 -59.3(4)
C8 C19 C20 Fe2 112.4(6)
C24 Fe2 C20 C21 152.2(7)
C19 Fe2 C20 C21 -118.5(6)
C23 Fe2 C20 C21 -80.0(4)
C27 Fe2 C20 C21 38.6(14)
C28 Fe2 C20 C21 -172.8(8)
C26 Fe2 C20 C21 72.1(7)
C22 Fe2 C20 C21 -36.5(4)
C25 Fe2 C20 C21 111.2(6)
C24 Fe2 C20 C19 -89.3(7)
C23 Fe2 C20 C19 38.5(4)
C27 Fe2 C20 C19 157.1(12)
C28 Fe2 C20 C19 -54.3(10)
C26 Fe2 C20 C19 -169.4(6)
C22 Fe2 C20 C19 82.0(4)
C21 Fe2 C20 C19 118.5(6)
C25 Fe2 C20 C19 -130.3(6)
C19 C20 C21 C22 -1.3(8)
Fe2 C20 C21 C22 58.1(5)
C19 C20 C21 Fe2 -59.4(4)
C24 Fe2 C21 C20 -57.5(10)
C19 Fe2 C21 C20 38.8(4)
C23 Fe2 C21 C20 83.7(4)
C27 Fe2 C21 C20 -167.0(6)
C28 Fe2 C21 C20 167.6(15)
C26 Fe2 C21 C20 -127.0(6)
C22 Fe2 C21 C20 121.2(6)
C25 Fe2 C21 C20 -85.7(6)
C24 Fe2 C21 C22 -178.7(8)
C19 Fe2 C21 C22 -82.4(4)
C23 Fe2 C21 C22 -37.4(4)
C27 Fe2 C21 C22 71.8(6)
C20 Fe2 C21 C22 -121.2(6)
C28 Fe2 C21 C22 46.4(16)
C26 Fe2 C21 C22 111.8(6)
C25 Fe2 C21 C22 153.1(6)
C20 C21 C22 C23 0.9(8)
Fe2 C21 C22 C23 58.8(5)
C20 C21 C22 Fe2 -57.9(5)
C24 Fe2 C22 C23 57(2)
C19 Fe2 C22 C23 -38.6(4)
C27 Fe2 C22 C23 113.8(6)
C20 Fe2 C22 C23 -83.3(4)
C28 Fe2 C22 C23 74.0(6)
C26 Fe2 C22 C23 155.3(6)
C21 Fe2 C22 C23 -119.6(6)
C25 Fe2 C22 C23 -172.0(7)
C24 Fe2 C22 C21 176.9(19)
C19 Fe2 C22 C21 81.1(4)
C23 Fe2 C22 C21 119.6(6)
C27 Fe2 C22 C21 -126.6(6)
C20 Fe2 C22 C21 36.3(4)
C28 Fe2 C22 C21 -166.3(6)
C26 Fe2 C22 C21 -85.0(6)
C25 Fe2 C22 C21 -52.4(9)
C21 C22 C23 C19 -0.1(8)
Fe2 C22 C23 C19 59.4(4)
C21 C22 C23 Fe2 -59.5(5)
C20 C19 C23 C22 -0.7(7)
C8 C19 C23 C22 -172.6(6)
Fe2 C19 C23 C22 -60.2(5)
C20 C19 C23 Fe2 59.5(4)
C8 C19 C23 Fe2 -112.5(6)
C24 Fe2 C23 C22 -166.5(6)
C19 Fe2 C23 C22 118.8(6)
C27 Fe2 C23 C22 -82.8(7)
C20 Fe2 C23 C22 80.3(4)
C28 Fe2 C23 C22 -127.1(6)
C26 Fe2 C23 C22 -49.5(11)
C21 Fe2 C23 C22 37.3(4)
C25 Fe2 C23 C22 158(2)
C24 Fe2 C23 C19 74.7(6)
C27 Fe2 C23 C19 158.3(6)
C20 Fe2 C23 C19 -38.5(3)
C28 Fe2 C23 C19 114.0(5)
C26 Fe2 C23 C19 -168.3(9)
C22 Fe2 C23 C19 -118.8(6)
C21 Fe2 C23 C19 -81.6(4)
C25 Fe2 C23 C19 39(2)
C19 Fe2 C24 C25 -126.4(7)
C23 Fe2 C24 C25 -170.0(6)
C27 Fe2 C24 C25 82.3(8)
C20 Fe2 C24 C25 -80.8(8)
C28 Fe2 C24 C25 122.0(11)
C26 Fe2 C24 C25 38.7(7)
C22 Fe2 C24 C25 142.4(19)
C21 Fe2 C24 C25 -41.7(12)
C19 Fe2 C24 C28 111.6(7)
C23 Fe2 C24 C28 68.0(9)
C27 Fe2 C24 C28 -39.6(7)
C20 Fe2 C24 C28 157.2(7)
C26 Fe2 C24 C28 -83.3(8)
C22 Fe2 C24 C28 20(2)
C21 Fe2 C24 C28 -163.7(7)
C25 Fe2 C24 C28 -122.0(11)
C28 C24 C25 C26 -1.5(12)
Fe2 C24 C25 C26 -60.8(8)
C28 C24 C25 Fe2 59.3(7)
C19 Fe2 C25 C24 75.7(8)
C23 Fe2 C25 C24 43(3)
C27 Fe2 C25 C24 -80.7(8)
C20 Fe2 C25 C24 116.7(7)
C28 Fe2 C25 C24 -36.1(7)
C26 Fe2 C25 C24 -116.4(11)
C22 Fe2 C25 C24 -165.7(7)
C21 Fe2 C25 C24 159.1(6)
C24 Fe2 C25 C26 116.4(11)
C19 Fe2 C25 C26 -167.9(7)
C23 Fe2 C25 C26 159.0(19)
C27 Fe2 C25 C26 35.6(9)
C20 Fe2 C25 C26 -126.9(8)
C28 Fe2 C25 C26 80.2(9)
C22 Fe2 C25 C26 -49.4(13)
C21 Fe2 C25 C26 -84.5(9)
C24 C25 C26 C27 2.3(13)
Fe2 C25 C26 C27 -58.0(8)
C24 C25 C26 Fe2 60.3(7)
C24 Fe2 C26 C25 -38.7(8)
C19 Fe2 C26 C25 42(2)
C23 Fe2 C26 C25 -172.0(8)
C27 Fe2 C26 C25 -122.6(13)
C20 Fe2 C26 C25 71.9(10)
C28 Fe2 C26 C25 -82.7(9)
C22 Fe2 C26 C25 154.3(8)
C21 Fe2 C26 C25 111.8(9)
C24 Fe2 C26 C27 84.0(9)
C19 Fe2 C26 C27 164.3(16)
C23 Fe2 C26 C27 -49.4(14)
C20 Fe2 C26 C27 -165.4(7)
C28 Fe2 C26 C27 39.9(8)
C22 Fe2 C26 C27 -83.1(9)
C21 Fe2 C26 C27 -125.5(9)
C25 Fe2 C26 C27 122.6(13)
C25 C26 C27 C28 -2.2(13)
Fe2 C26 C27 C28 -60.9(7)
C25 C26 C27 Fe2 58.7(8)
C24 Fe2 C27 C26 -77.6(9)
C19 Fe2 C27 C26 -171.6(9)
C23 Fe2 C27 C26 155.2(8)
C20 Fe2 C27 C26 43.6(17)
C28 Fe2 C27 C26 -116.2(11)
C22 Fe2 C27 C26 113.1(9)
C21 Fe2 C27 C26 73.3(10)
C25 Fe2 C27 C26 -35.1(9)
C24 Fe2 C27 C28 38.7(7)
C19 Fe2 C27 C28 -55.3(12)
C23 Fe2 C27 C28 -88.5(7)
C20 Fe2 C27 C28 159.9(11)
C26 Fe2 C27 C28 116.2(11)
C22 Fe2 C27 C28 -130.7(7)
C21 Fe2 C27 C28 -170.5(6)
C25 Fe2 C27 C28 81.2(8)
C25 C24 C28 C27 0.2(11)
Fe2 C24 C28 C27 60.3(7)
C25 C24 C28 Fe2 -60.0(8)
C26 C27 C28 C24 1.2(11)
Fe2 C27 C28 C24 -60.4(6)
C26 C27 C28 Fe2 61.5(7)
C19 Fe2 C28 C24 -88.7(8)
C23 Fe2 C28 C24 -133.3(8)
C27 Fe2 C28 C24 116.6(11)
C20 Fe2 C28 C24 -50.1(13)
C26 Fe2 C28 C24 77.9(8)
C22 Fe2 C28 C24 -174.7(7)
C21 Fe2 C28 C24 148.4(14)
C25 Fe2 C28 C24 35.4(8)
C24 Fe2 C28 C27 -116.6(11)
C19 Fe2 C28 C27 154.8(6)
C23 Fe2 C28 C27 110.2(7)
C20 Fe2 C28 C27 -166.7(8)
C26 Fe2 C28 C27 -38.6(7)
C22 Fe2 C28 C27 68.7(8)
C21 Fe2 C28 C27 31.9(19)
C25 Fe2 C28 C27 -81.2(8)
C4 O4 C29 C30 -157.8(11)
C8 O8 C31 C32 -177.4(9)
