#------------------------------------------------------------------------------
#$Date: 2019-11-24 12:33:37 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237915 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/89/4088989.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_4088989
loop_
_publ_author_name
'Kienz, Torben'
'Förster, Christoph'
'Heinze, Katja'
_publ_section_title
;
 Generation and Oligomerization ofN-Ferrocenyl Ketenimines via Open-Shell
 Intermediates
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              3681
_journal_paper_doi               10.1021/acs.organomet.6b00619
_journal_volume                  35
_journal_year                    2016
_chemical_formula_sum            'C37 H39 Cl2 F12 Fe3 N3 S Sb2'
_chemical_formula_weight         1267.72
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                104.403(2)
_cell_angle_beta                 92.447(2)
_cell_angle_gamma                96.711(2)
_cell_formula_units_Z            2
_cell_length_a                   9.6219(8)
_cell_length_b                   13.1000(11)
_cell_length_c                   17.2736(15)
_cell_measurement_temperature    173(2)
_cell_volume                     2088.6(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_unetI/netI     0.1236
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24230
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.007
_diffrn_reflns_theta_min         1.761
_exptl_absorpt_coefficient_mu    2.559
_exptl_absorpt_correction_T_max  1.14058
_exptl_absorpt_correction_T_min  0.86244
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   MULABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.016
_exptl_crystal_description       plate
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.703
_refine_diff_density_min         -1.535
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.883
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         10047
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      0.888
_refine_ls_R_factor_all          0.1114
_refine_ls_R_factor_gt           0.0556
_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)+(0.0560P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1172
_refine_ls_wR_factor_ref         0.1329
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5616
_reflns_number_total             10047
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om6b00619_si_004.cif
_cod_data_source_block           tk6
_cod_database_code               4088989
_shelx_shelxl_version_number     2014/7
_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_min   0.656
_shelx_estimated_absorpt_t_max   0.905
_exptl_absorpt_special_details   MULABS
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.00966(10) 0.76943(8) -0.00146(5) 0.0284(2) Uani 1 1 d . . . . .
Fe2 Fe 0.19430(9) 0.64828(7) 0.36042(5) 0.0250(2) Uani 1 1 d . . . . .
Fe3 Fe 0.56431(9) 0.36869(7) 0.29406(5) 0.0242(2) Uani 1 1 d . . . . .
S1 S 0.43945(18) 0.93709(13) 0.24938(11) 0.0336(4) Uani 1 1 d . . . . .
N1 N 0.2224(5) 0.8585(4) 0.1527(3) 0.0254(12) Uani 1 1 d . . . . .
N2 N 0.4227(5) 0.7256(4) 0.2466(3) 0.0213(11) Uani 1 1 d . . . . .
N3 N 0.5079(5) 0.5955(4) 0.2933(3) 0.0197(11) Uani 1 1 d . . . . .
H3N H 0.4244 0.5839 0.3106 0.024 Uiso 1 1 calc R U . . .
C1 C 0.1598(8) 0.7041(7) -0.0724(4) 0.045(2) Uani 1 1 d . . . . .
H1 H 0.2558 0.7057 -0.0564 0.053 Uiso 1 1 calc R U . . .
C2 C 0.0481(11) 0.6251(7) -0.0676(5) 0.062(3) Uani 1 1 d . . . . .
H2 H 0.0568 0.5643 -0.0481 0.074 Uiso 1 1 calc R U . . .
C3 C -0.0761(9) 0.6523(7) -0.0962(5) 0.057(2) Uani 1 1 d . . . . .
H3 H -0.1668 0.6134 -0.0994 0.068 Uiso 1 1 calc R U . . .
C4 C -0.0448(9) 0.7456(7) -0.1192(4) 0.054(2) Uani 1 1 d . . . . .
H4 H -0.1110 0.7814 -0.1408 0.065 Uiso 1 1 calc R U . . .
C5 C 0.1018(8) 0.7797(7) -0.1056(4) 0.047(2) Uani 1 1 d . . . . .
H5 H 0.1512 0.8411 -0.1165 0.057 Uiso 1 1 calc R U . . .
C6 C 0.0830(7) 0.8448(5) 0.1128(4) 0.0286(15) Uani 1 1 d . . . . .
C7 C -0.0243(7) 0.7617(6) 0.1133(4) 0.0355(17) Uani 1 1 d . . . . .
H7 H -0.0170 0.7021 0.1345 0.043 Uiso 1 1 calc R U . . .
C8 C -0.1457(7) 0.7863(7) 0.0753(4) 0.044(2) Uani 1 1 d . . . . .
H8 H -0.2355 0.7449 0.0670 0.053 Uiso 1 1 calc R U . . .
C9 C -0.1128(7) 0.8798(6) 0.0523(4) 0.0400(19) Uani 1 1 d . . . . .
H9 H -0.1759 0.9123 0.0253 0.048 Uiso 1 1 calc R U . . .
C10 C 0.0306(7) 0.9189(5) 0.0756(4) 0.0339(17) Uani 1 1 d . . . . .
H10 H 0.0811 0.9820 0.0679 0.041 Uiso 1 1 calc R U . . .
C11 C 0.2760(7) 0.9421(5) 0.2092(4) 0.0303(15) Uani 1 1 d . . . . .
C12 C 0.2035(7) 1.0356(5) 0.2398(4) 0.0394(18) Uani 1 1 d . . . . .
H12A H 0.2643 1.0878 0.2818 0.059 Uiso 1 1 calc R U . . .
H12B H 0.1815 1.0675 0.1959 0.059 Uiso 1 1 calc R U . . .
H12C H 0.1163 1.0135 0.2621 0.059 Uiso 1 1 calc R U . . .
F12 F 0.4104(8) 0.1005(6) 0.4471(4) 0.133(3) Uani 1 1 d . . . . .
C13 C 0.3196(6) 0.7788(5) 0.1281(4) 0.0286(15) Uani 1 1 d . . . . .
H13A H 0.3589 0.7851 0.0772 0.034 Uiso 1 1 calc R U . . .
H13B H 0.2689 0.7062 0.1197 0.034 Uiso 1 1 calc R U . . .
C14 C 0.4366(6) 0.7985(5) 0.1936(4) 0.0283(15) Uani 1 1 d . . . . .
H14 H 0.5273 0.7915 0.1678 0.034 Uiso 1 1 calc R U . . .
C15 C 0.2821(6) 0.6990(5) 0.2684(3) 0.0229(14) Uani 1 1 d . . . . .
C16 C 0.1950(6) 0.6001(5) 0.2374(4) 0.0279(15) Uani 1 1 d . . . . .
H16 H 0.2241 0.5361 0.2072 0.033 Uiso 1 1 calc R U . . .
C17 C 0.0582(7) 0.6143(6) 0.2599(4) 0.0375(18) Uani 1 1 d . . . . .
H17 H -0.0218 0.5617 0.2468 0.045 Uiso 1 1 calc R U . . .
C18 C 0.0607(7) 0.7202(6) 0.3052(4) 0.0401(19) Uani 1 1 d . . . . .
H18 H -0.0179 0.7504 0.3281 0.048 Uiso 1 1 calc R U . . .
C19 C 0.1967(7) 0.7739(5) 0.3111(4) 0.0312(16) Uani 1 1 d . . . . .
H19 H 0.2269 0.8461 0.3383 0.037 Uiso 1 1 calc R U . . .
C20 C 0.2769(8) 0.5534(6) 0.4243(4) 0.0348(17) Uani 1 1 d . . . . .
H20 H 0.3296 0.4969 0.4040 0.042 Uiso 1 1 calc R U . . .
C21 C 0.1320(8) 0.5446(7) 0.4266(4) 0.045(2) Uani 1 1 d . . . . .
H21 H 0.0679 0.4814 0.4076 0.054 Uiso 1 1 calc R U . . .
C22 C 0.0973(10) 0.6461(8) 0.4623(5) 0.057(3) Uani 1 1 d . . . . .
H22 H 0.0057 0.6637 0.4725 0.068 Uiso 1 1 calc R U . . .
C23 C 0.2212(12) 0.7162(7) 0.4799(4) 0.060(3) Uani 1 1 d . . . . .
H23 H 0.2285 0.7904 0.5037 0.072 Uiso 1 1 calc R U . . .
C24 C 0.3317(8) 0.6600(6) 0.4571(4) 0.0422(19) Uani 1 1 d . . . . .
H24 H 0.4280 0.6886 0.4626 0.051 Uiso 1 1 calc R U . . .
C25 C 0.5308(6) 0.6738(5) 0.2598(3) 0.0200(13) Uani 1 1 d . . . . .
C26 C 0.6734(6) 0.7054(5) 0.2373(4) 0.0294(15) Uani 1 1 d . . . . .
H26A H 0.6718 0.7653 0.2130 0.044 Uiso 1 1 calc R U . . .
H26B H 0.7388 0.7264 0.2853 0.044 Uiso 1 1 calc R U . . .
H26C H 0.7040 0.6452 0.1988 0.044 Uiso 1 1 calc R U . . .
C27 C 0.6081(6) 0.5268(5) 0.3040(3) 0.0203(13) Uani 1 1 d . . . . .
C28 C 0.6474(6) 0.5044(5) 0.3779(4) 0.0262(15) Uani 1 1 d . . . . .
H28 H 0.6127 0.5323 0.4285 0.031 Uiso 1 1 calc R U . . .
C29 C 0.7484(6) 0.4321(5) 0.3616(4) 0.0264(15) Uani 1 1 d . . . . .
H29 H 0.7936 0.4030 0.3995 0.032 Uiso 1 1 calc R U . . .
C30 C 0.7697(7) 0.4114(5) 0.2790(4) 0.0300(15) Uani 1 1 d . . . . .
H30 H 0.8323 0.3660 0.2520 0.036 Uiso 1 1 calc R U . . .
C31 C 0.6826(6) 0.4690(5) 0.2431(4) 0.0253(14) Uani 1 1 d . . . . .
H31 H 0.6756 0.4690 0.1881 0.030 Uiso 1 1 calc R U . . .
C32 C 0.3536(7) 0.3207(5) 0.2675(4) 0.0358(17) Uani 1 1 d . . . . .
H32 H 0.2839 0.3653 0.2637 0.043 Uiso 1 1 calc R U . . .
C33 C 0.4321(7) 0.2708(6) 0.2039(4) 0.0417(19) Uani 1 1 d . . . . .
H33 H 0.4243 0.2763 0.1501 0.050 Uiso 1 1 calc R U . . .
C34 C 0.5233(7) 0.2120(5) 0.2354(4) 0.0388(18) Uani 1 1 d . . . . .
H34 H 0.5880 0.1707 0.2063 0.047 Uiso 1 1 calc R U . . .
C35 C 0.5023(7) 0.2247(5) 0.3169(4) 0.0359(17) Uani 1 1 d . . . . .
H35 H 0.5501 0.1934 0.3525 0.043 Uiso 1 1 calc R U . . .
C36 C 0.3979(7) 0.2921(5) 0.3371(4) 0.0356(17) Uani 1 1 d . . . . .
H36 H 0.3636 0.3142 0.3885 0.043 Uiso 1 1 calc R U . . .
Cl1 Cl 0.8138(2) 0.0176(3) 0.24379(14) 0.0870(9) Uani 1 1 d . . . . .
Cl2 Cl 0.9787(3) 0.2181(2) 0.32652(15) 0.0846(9) Uani 1 1 d . . . . .
C37 C 0.8699(10) 0.1090(10) 0.3358(5) 0.091(4) Uani 1 1 d . . . . .
H37A H 0.7866 0.1330 0.3630 0.109 Uiso 1 1 calc R U . . .
H37B H 0.9198 0.0726 0.3702 0.109 Uiso 1 1 calc R U . . .
Sb1 Sb 0.5000 0.5000 0.0000 0.02736(16) Uani 1 2 d S . P . .
F1 F 0.4237(5) 0.5123(5) 0.0981(3) 0.0779(17) Uani 1 1 d . . . . .
F2 F 0.3206(4) 0.4845(4) -0.0492(3) 0.0557(12) Uani 1 1 d . . . . .
F3 F 0.5150(5) 0.6454(4) 0.0160(4) 0.0852(19) Uani 1 1 d . . . . .
Sb2 Sb 0.5000 0.0000 0.0000 0.03047(17) Uani 1 2 d S U P . .
F4 F 0.6529(4) -0.0179(4) -0.0645(2) 0.0526(12) Uani 1 1 d . U . . .
F5 F 0.4064(12) 0.0317(12) -0.0842(7) 0.106(4) Uani 0.66 1 d . U P A 2
F6 F 0.5702(14) 0.1403(9) 0.0400(7) 0.111(4) Uani 0.66 1 d . U P A 2
F5A F 0.632(2) 0.0363(16) 0.0864(11) 0.067(5) Uani 0.34 1 d . U P A 1
F6A F 0.5066(18) 0.1425(13) 0.0012(13) 0.062(5) Uani 0.34 1 d . U P A 1
Sb3 Sb 0.27372(6) 0.10999(4) 0.52000(3) 0.05064(18) Uani 1 1 d . . . . .
F7 F 0.1385(7) 0.1181(5) 0.5915(4) 0.115(2) Uani 1 1 d . . . . .
F8 F 0.2722(8) -0.0300(5) 0.5138(5) 0.134(3) Uani 1 1 d . . . . .
F9 F 0.1398(9) 0.0779(8) 0.4398(5) 0.175(4) Uani 1 1 d . . . . .
F10 F 0.2792(9) 0.2545(5) 0.5321(6) 0.163(4) Uani 1 1 d . . . . .
F11 F 0.4120(7) 0.1417(6) 0.6029(4) 0.120(3) 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Sb Sb -0.5866 1.5461 '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'
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 Fe1 C4 40.1(3) . .
C3 Fe1 C6 159.7(4) . .
C4 Fe1 C6 160.2(3) . .
C3 Fe1 C2 40.2(3) . .
C4 Fe1 C2 67.4(4) . .
C6 Fe1 C2 127.9(3) . .
C3 Fe1 C8 103.9(3) . .
C4 Fe1 C8 117.7(3) . .
C6 Fe1 C8 67.4(3) . .
C2 Fe1 C8 122.6(4) . .
C3 Fe1 C9 118.3(3) . .
C4 Fe1 C9 103.4(3) . .
C6 Fe1 C9 67.6(3) . .
C2 Fe1 C9 155.5(3) . .
C8 Fe1 C9 39.8(3) . .
C3 Fe1 C7 121.0(3) . .
C4 Fe1 C7 154.6(3) . .
C6 Fe1 C7 40.5(3) . .
C2 Fe1 C7 109.7(3) . .
C8 Fe1 C7 40.8(3) . .
C9 Fe1 C7 68.3(3) . .
C3 Fe1 C10 155.1(3) . .
C4 Fe1 C10 121.3(3) . .
C6 Fe1 C10 40.5(3) . .
C2 Fe1 C10 163.6(3) . .
C8 Fe1 C10 67.7(3) . .
C9 Fe1 C10 40.5(3) . .
C7 Fe1 C10 68.8(3) . .
C3 Fe1 C1 68.1(3) . .
C4 Fe1 C1 67.7(3) . .
C6 Fe1 C1 114.1(3) . .
C2 Fe1 C1 40.6(3) . .
C8 Fe1 C1 161.3(4) . .
C9 Fe1 C1 158.9(4) . .
C7 Fe1 C1 127.7(3) . .
C10 Fe1 C1 126.5(3) . .
C3 Fe1 C5 68.2(3) . .
C4 Fe1 C5 40.7(3) . .
C6 Fe1 C5 127.4(3) . .
C2 Fe1 C5 67.9(4) . .
C8 Fe1 C5 154.4(3) . .
C9 Fe1 C5 120.9(3) . .
C7 Fe1 C5 163.9(3) . .
C10 Fe1 C5 108.7(3) . .
C1 Fe1 C5 40.1(3) . .
C18 Fe2 C23 111.6(3) . .
C18 Fe2 C19 40.4(3) . .
C23 Fe2 C19 103.9(3) . .
C18 Fe2 C22 100.8(3) . .
C23 Fe2 C22 40.0(3) . .
C19 Fe2 C22 121.4(3) . .
C18 Fe2 C21 123.8(3) . .
C23 Fe2 C21 67.4(3) . .
C19 Fe2 C21 159.7(3) . .
C22 Fe2 C21 40.4(3) . .
C18 Fe2 C15 68.1(3) . .
C23 Fe2 C15 129.3(3) . .
C19 Fe2 C15 41.2(2) . .
C22 Fe2 C15 162.1(3) . .
C21 Fe2 C15 157.5(3) . .
C18 Fe2 C24 147.3(3) . .
C23 Fe2 C24 39.6(3) . .
C19 Fe2 C24 118.7(3) . .
C22 Fe2 C24 66.9(3) . .
C21 Fe2 C24 67.0(3) . .
C15 Fe2 C24 114.5(3) . .
C18 Fe2 C17 40.5(3) . .
C23 Fe2 C17 145.4(4) . .
C19 Fe2 C17 68.3(3) . .
C22 Fe2 C17 113.5(3) . .
C21 Fe2 C17 107.8(3) . .
C15 Fe2 C17 67.8(2) . .
C24 Fe2 C17 172.0(3) . .
C18 Fe2 C20 163.4(3) . .
C23 Fe2 C20 66.8(3) . .
C19 Fe2 C20 155.6(3) . .
C22 Fe2 C20 66.9(3) . .
C21 Fe2 C20 39.7(3) . .
C15 Fe2 C20 126.5(3) . .
C24 Fe2 C20 39.8(3) . .
C17 Fe2 C20 132.4(3) . .
C18 Fe2 C16 68.0(3) . .
C23 Fe2 C16 169.8(3) . .
C19 Fe2 C16 68.9(3) . .
C22 Fe2 C16 149.8(3) . .
C21 Fe2 C16 121.8(3) . .
C15 Fe2 C16 40.6(2) . .
C24 Fe2 C16 136.7(3) . .
C17 Fe2 C16 40.0(2) . .
C20 Fe2 C16 116.7(3) . .
C27 Fe3 C31 40.7(2) . .
C27 Fe3 C34 155.9(3) . .
C31 Fe3 C34 119.1(3) . .
C27 Fe3 C33 122.1(3) . .
C31 Fe3 C33 106.1(3) . .
C34 Fe3 C33 40.5(3) . .
C27 Fe3 C30 68.1(2) . .
C31 Fe3 C30 40.7(2) . .
C34 Fe3 C30 105.0(3) . .
C33 Fe3 C30 122.0(3) . .
C27 Fe3 C28 40.9(2) . .
C31 Fe3 C28 69.0(3) . .
C34 Fe3 C28 160.0(3) . .
C33 Fe3 C28 158.9(3) . .
C30 Fe3 C28 68.4(3) . .
C27 Fe3 C29 68.4(2) . .
C31 Fe3 C29 68.6(3) . .
C34 Fe3 C29 122.2(3) . .
C33 Fe3 C29 158.3(3) . .
C30 Fe3 C29 40.5(2) . .
C28 Fe3 C29 40.7(2) . .
C27 Fe3 C32 110.1(3) . .
C31 Fe3 C32 124.9(3) . .
C34 Fe3 C32 68.1(3) . .
C33 Fe3 C32 40.9(3) . .
C30 Fe3 C32 160.2(3) . .
C28 Fe3 C32 124.1(3) . .
C29 Fe3 C32 158.9(3) . .
C27 Fe3 C35 163.3(3) . .
C31 Fe3 C35 154.5(3) . .
C34 Fe3 C35 40.2(3) . .
C33 Fe3 C35 67.9(3) . .
C30 Fe3 C35 119.9(3) . .
C28 Fe3 C35 125.4(3) . .
C29 Fe3 C35 107.3(3) . .
C32 Fe3 C35 67.7(3) . .
C27 Fe3 C36 127.4(3) . .
C31 Fe3 C36 162.7(3) . .
C34 Fe3 C36 67.8(3) . .
C33 Fe3 C36 68.1(3) . .
C30 Fe3 C36 156.4(3) . .
C28 Fe3 C36 110.3(3) . .
C29 Fe3 C36 122.8(3) . .
C32 Fe3 C36 40.2(3) . .
C35 Fe3 C36 40.2(3) . .
C11 S1 C14 91.9(3) . .
C11 N1 C6 124.5(5) . .
C11 N1 C13 114.2(5) . .
C6 N1 C13 121.2(5) . .
C25 N2 C15 123.3(5) . .
C25 N2 C14 119.9(5) . .
C15 N2 C14 115.6(5) . .
C25 N3 C27 125.0(5) . .
C25 N3 H3N 117.5 . .
C27 N3 H3N 117.5 . .
C5 C1 C2 107.6(7) . .
C5 C1 Fe1 70.2(4) . .
C2 C1 Fe1 68.7(4) . .
C5 C1 H1 126.2 . .
C2 C1 H1 126.2 . .
Fe1 C1 H1 126.5 . .
C3 C2 C1 108.3(8) . .
C3 C2 Fe1 69.1(5) . .
C1 C2 Fe1 70.6(4) . .
C3 C2 H2 125.8 . .
C1 C2 H2 125.8 . .
Fe1 C2 H2 126.0 . .
C4 C3 C2 108.2(8) . .
C4 C3 Fe1 70.0(4) . .
C2 C3 Fe1 70.7(4) . .
C4 C3 H3 125.9 . .
C2 C3 H3 125.9 . .
Fe1 C3 H3 125.0 . .
C3 C4 C5 109.5(7) . .
C3 C4 Fe1 69.9(5) . .
C5 C4 Fe1 71.5(4) . .
C3 C4 H4 125.3 . .
C5 C4 H4 125.3 . .
Fe1 C4 H4 124.9 . .
C1 C5 C4 106.4(8) . .
C1 C5 Fe1 69.7(4) . .
C4 C5 Fe1 67.7(4) . .
C1 C5 H5 126.8 . .
C4 C5 H5 126.8 . .
Fe1 C5 H5 127.3 . .
C7 C6 C10 110.3(6) . .
C7 C6 N1 124.6(6) . .
C10 C6 N1 124.8(6) . .
C7 C6 Fe1 70.5(4) . .
C10 C6 Fe1 70.9(4) . .
N1 C6 Fe1 130.8(4) . .
C6 C7 C8 105.4(7) . .
C6 C7 Fe1 69.0(4) . .
C8 C7 Fe1 69.1(4) . .
C6 C7 H7 127.3 . .
C8 C7 H7 127.3 . .
Fe1 C7 H7 126.1 . .
C9 C8 C7 109.6(6) . .
C9 C8 Fe1 70.3(4) . .
C7 C8 Fe1 70.1(4) . .
C9 C8 H8 125.2 . .
C7 C8 H8 125.2 . .
Fe1 C8 H8 126.0 . .
C8 C9 C10 108.8(6) . .
C8 C9 Fe1 69.9(4) . .
C10 C9 Fe1 70.4(4) . .
C8 C9 H9 125.6 . .
C10 C9 H9 125.6 . .
Fe1 C9 H9 125.6 . .
C6 C10 C9 105.9(6) . .
C6 C10 Fe1 68.6(4) . .
C9 C10 Fe1 69.1(4) . .
C6 C10 H10 127.0 . .
C9 C10 H10 127.0 . .
Fe1 C10 H10 126.8 . .
N1 C11 C12 124.3(6) . .
N1 C11 S1 115.6(5) . .
C12 C11 S1 120.0(5) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N1 C13 C14 108.4(5) . .
N1 C13 H13A 110.0 . .
C14 C13 H13A 110.0 . .
N1 C13 H13B 110.0 . .
C14 C13 H13B 110.0 . .
H13A C13 H13B 108.4 . .
N2 C14 C13 114.8(5) . .
N2 C14 S1 111.9(4) . .
C13 C14 S1 105.3(4) . .
N2 C14 H14 108.2 . .
C13 C14 H14 108.2 . .
S1 C14 H14 108.2 . .
C16 C15 C19 108.0(6) . .
C16 C15 N2 125.7(5) . .
C19 C15 N2 125.2(5) . .
C16 C15 Fe2 70.2(4) . .
C19 C15 Fe2 68.7(4) . .
N2 C15 Fe2 136.2(4) . .
C17 C16 C15 107.6(6) . .
C17 C16 Fe2 69.7(4) . .
C15 C16 Fe2 69.2(3) . .
C17 C16 H16 126.2 . .
C15 C16 H16 126.2 . .
Fe2 C16 H16 126.5 . .
C16 C17 C18 108.1(6) . .
C16 C17 Fe2 70.3(4) . .
C18 C17 Fe2 68.5(4) . .
C16 C17 H17 126.0 . .
C18 C17 H17 126.0 . .
Fe2 C17 H17 126.9 . .
C19 C18 C17 109.5(6) . .
C19 C18 Fe2 70.3(4) . .
C17 C18 Fe2 71.0(4) . .
C19 C18 H18 125.2 . .
C17 C18 H18 125.2 . .
Fe2 C18 H18 125.0 . .
C18 C19 C15 106.9(6) . .
C18 C19 Fe2 69.4(4) . .
C15 C19 Fe2 70.0(4) . .
C18 C19 H19 126.6 . .
C15 C19 H19 126.6 . .
Fe2 C19 H19 125.6 . .
C21 C20 C24 108.1(7) . .
C21 C20 Fe2 69.4(4) . .
C24 C20 Fe2 69.7(4) . .
C21 C20 H20 126.0 . .
C24 C20 H20 126.0 . .
Fe2 C20 H20 126.5 . .
C20 C21 C22 107.6(7) . .
C20 C21 Fe2 70.9(4) . .
C22 C21 Fe2 69.6(4) . .
C20 C21 H21 126.2 . .
C22 C21 H21 126.2 . .
Fe2 C21 H21 124.9 . .
C23 C22 C21 107.7(7) . .
C23 C22 Fe2 69.8(5) . .
C21 C22 Fe2 70.1(4) . .
C23 C22 H22 126.2 . .
C21 C22 H22 126.2 . .
Fe2 C22 H22 125.6 . .
C24 C23 C22 108.6(7) . .
C24 C23 Fe2 71.1(4) . .
C22 C23 Fe2 70.2(4) . .
C24 C23 H23 125.7 . .
C22 C23 H23 125.7 . .
Fe2 C23 H23 124.7 . .
C23 C24 C20 108.0(7) . .
C23 C24 Fe2 69.4(4) . .
C20 C24 Fe2 70.4(4) . .
C23 C24 H24 126.0 . .
C20 C24 H24 126.0 . .
Fe2 C24 H24 125.8 . .
N3 C25 N2 118.6(5) . .
N3 C25 C26 120.3(5) . .
N2 C25 C26 121.1(6) . .
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 . .
C31 C27 C28 108.9(5) . .
C31 C27 N3 125.6(5) . .
C28 C27 N3 125.5(5) . .
C31 C27 Fe3 69.7(4) . .
C28 C27 Fe3 70.2(3) . .
N3 C27 Fe3 125.5(4) . .
C29 C28 C27 106.9(5) . .
C29 C28 Fe3 69.6(3) . .
C27 C28 Fe3 68.8(3) . .
C29 C28 H28 126.5 . .
C27 C28 H28 126.5 . .
Fe3 C28 H28 126.5 . .
C30 C29 C28 107.9(6) . .
C30 C29 Fe3 69.4(3) . .
C28 C29 Fe3 69.6(3) . .
C30 C29 H29 126.0 . .
C28 C29 H29 126.0 . .
Fe3 C29 H29 126.6 . .
C31 C30 C29 108.8(6) . .
C31 C30 Fe3 69.4(4) . .
C29 C30 Fe3 70.1(4) . .
C31 C30 H30 125.6 . .
C29 C30 H30 125.6 . .
Fe3 C30 H30 126.5 . .
C27 C31 C30 107.4(5) . .
C27 C31 Fe3 69.6(4) . .
C30 C31 Fe3 70.0(4) . .
C27 C31 H31 126.3 . .
C30 C31 H31 126.3 . .
Fe3 C31 H31 125.7 . .
C36 C32 C33 107.8(6) . .
C36 C32 Fe3 70.1(4) . .
C33 C32 Fe3 69.1(4) . .
C36 C32 H32 126.1 . .
C33 C32 H32 126.1 . .
Fe3 C32 H32 126.2 . .
C34 C33 C32 107.6(7) . .
C34 C33 Fe3 69.7(4) . .
C32 C33 Fe3 70.0(4) . .
C34 C33 H33 126.2 . .
C32 C33 H33 126.2 . .
Fe3 C33 H33 125.6 . .
C35 C34 C33 108.3(7) . .
C35 C34 Fe3 70.4(4) . .
C33 C34 Fe3 69.8(4) . .
C35 C34 H34 125.8 . .
C33 C34 H34 125.8 . .
Fe3 C34 H34 125.6 . .
C34 C35 C36 108.3(6) . .
C34 C35 Fe3 69.4(4) . .
C36 C35 Fe3 70.1(4) . .
C34 C35 H35 125.8 . .
C36 C35 H35 125.8 . .
Fe3 C35 H35 126.2 . .
C32 C36 C35 108.0(7) . .
C32 C36 Fe3 69.7(4) . .
C35 C36 Fe3 69.7(4) . .
C32 C36 H36 126.0 . .
C35 C36 H36 126.0 . .
Fe3 C36 H36 126.2 . .
Cl2 C37 Cl1 113.5(6) . .
Cl2 C37 H37A 108.9 . .
Cl1 C37 H37A 108.9 . .
Cl2 C37 H37B 108.9 . .
Cl1 C37 H37B 108.9 . .
H37A C37 H37B 107.7 . .
F3 Sb1 F3 180.00(4) 2_665 .
F3 Sb1 F1 89.7(3) 2_665 2_665
F3 Sb1 F1 90.3(3) . 2_665
F3 Sb1 F1 90.3(3) 2_665 .
F3 Sb1 F1 89.7(3) . .
F1 Sb1 F1 180.0 2_665 .
F3 Sb1 F2 90.7(2) 2_665 2_665
F3 Sb1 F2 89.3(2) . 2_665
F1 Sb1 F2 89.6(2) 2_665 2_665
F1 Sb1 F2 90.4(2) . 2_665
F3 Sb1 F2 89.3(2) 2_665 .
F3 Sb1 F2 90.7(2) . .
F1 Sb1 F2 90.4(2) 2_665 .
F1 Sb1 F2 89.6(2) . .
F2 Sb1 F2 180.0 2_665 .
F6 Sb2 F6 180.0 2_655 .
F6 Sb2 F5 90.5(6) 2_655 2_655
F6 Sb2 F5 89.5(6) . 2_655
F6 Sb2 F5 89.5(6) 2_655 .
F6 Sb2 F5 90.5(6) . .
F5 Sb2 F5 180.0(4) 2_655 .
F5A Sb2 F5A 180.0 . 2_655
F5A Sb2 F6A 89.7(8) . .
F5A Sb2 F6A 90.3(8) 2_655 .
F5A Sb2 F6A 90.3(8) . 2_655
F5A Sb2 F6A 89.7(8) 2_655 2_655
F6A Sb2 F6A 180.0 . 2_655
F6 Sb2 F4 90.6(4) 2_655 .
F6 Sb2 F4 89.4(4) . .
F5 Sb2 F4 93.0(4) 2_655 .
F5 Sb2 F4 87.0(4) . .
F5A Sb2 F4 86.3(7) . .
F5A Sb2 F4 93.7(7) 2_655 .
F6A Sb2 F4 92.8(6) . .
F6A Sb2 F4 87.2(6) 2_655 .
F6 Sb2 F4 89.4(4) 2_655 2_655
F6 Sb2 F4 90.6(4) . 2_655
F5 Sb2 F4 87.0(4) 2_655 2_655
F5 Sb2 F4 93.0(4) . 2_655
F5A Sb2 F4 93.7(7) . 2_655
F5A Sb2 F4 86.3(7) 2_655 2_655
F6A Sb2 F4 87.2(6) . 2_655
F6A Sb2 F4 92.8(6) 2_655 2_655
F4 Sb2 F4 180.0 . 2_655
F9 Sb3 F8 89.8(4) . .
F9 Sb3 F7 89.4(4) . .
F8 Sb3 F7 90.4(3) . .
F9 Sb3 F11 179.4(4) . .
F8 Sb3 F11 89.6(4) . .
F7 Sb3 F11 90.5(3) . .
F9 Sb3 F10 93.1(4) . .
F8 Sb3 F10 176.9(4) . .
F7 Sb3 F10 88.3(4) . .
F11 Sb3 F10 87.5(4) . .
F9 Sb3 F12 90.3(4) . .
F8 Sb3 F12 89.1(3) . .
F7 Sb3 F12 179.5(3) . .
F11 Sb3 F12 89.7(3) . .
F10 Sb3 F12 92.2(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C3 2.014(7) .
Fe1 C4 2.015(7) .
Fe1 C6 2.029(6) .
Fe1 C2 2.035(8) .
Fe1 C8 2.035(7) .
Fe1 C9 2.041(7) .
Fe1 C7 2.048(7) .
Fe1 C10 2.058(6) .
Fe1 C1 2.059(7) .
Fe1 C5 2.066(8) .
Fe2 C18 2.019(7) .
Fe2 C23 2.026(7) .
Fe2 C19 2.031(7) .
Fe2 C22 2.031(7) .
Fe2 C21 2.038(7) .
Fe2 C15 2.048(6) .
Fe2 C24 2.048(7) .
Fe2 C17 2.053(6) .
Fe2 C20 2.057(7) .
Fe2 C16 2.061(6) .
Fe3 C27 2.027(6) .
Fe3 C31 2.027(7) .
Fe3 C34 2.035(7) .
Fe3 C33 2.035(6) .
Fe3 C30 2.035(6) .
Fe3 C28 2.045(6) .
Fe3 C29 2.046(6) .
Fe3 C32 2.048(6) .
Fe3 C35 2.048(7) .
Fe3 C36 2.054(7) .
S1 C11 1.706(7) .
S1 C14 1.827(6) .
N1 C11 1.308(7) .
N1 C6 1.453(7) .
N1 C13 1.479(7) .
N2 C25 1.347(7) .
N2 C15 1.446(8) .
N2 C14 1.478(8) .
N3 C25 1.298(7) .
N3 C27 1.430(7) .
N3 H3N 0.8800 .
C1 C5 1.416(11) .
C1 C2 1.422(12) .
C1 H1 0.9500 .
C2 C3 1.391(12) .
C2 H2 0.9500 .
C3 C4 1.381(12) .
C3 H3 0.9500 .
C4 C5 1.420(11) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.412(9) .
C6 C10 1.416(9) .
C7 C8 1.423(10) .
C7 H7 0.9500 .
C8 C9 1.386(11) .
C8 H8 0.9500 .
C9 C10 1.418(9) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C12 1.475(9) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
F12 Sb3 1.853(7) .
C13 C14 1.514(8) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14 1.0000 .
C15 C16 1.425(8) .
C15 C19 1.437(8) .
C16 C17 1.408(9) .
C16 H16 0.9500 .
C17 C18 1.410(10) .
C17 H17 0.9500 .
C18 C19 1.398(9) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 C21 1.389(10) .
C20 C24 1.399(10) .
C20 H20 0.9500 .
C21 C22 1.404(11) .
C21 H21 0.9500 .
C22 C23 1.389(12) .
C22 H22 0.9500 .
C23 C24 1.379(12) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.482(8) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C31 1.410(8) .
C27 C28 1.424(8) .
C28 C29 1.424(8) .
C28 H28 0.9500 .
C29 C30 1.413(9) .
C29 H29 0.9500 .
C30 C31 1.412(9) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 C36 1.408(9) .
C32 C33 1.426(10) .
C32 H32 0.9500 .
C33 C34 1.409(10) .
C33 H33 0.9500 .
C34 C35 1.403(10) .
C34 H34 0.9500 .
C35 C36 1.411(9) .
C35 H35 0.9500 .
C36 H36 0.9500 .
Cl1 C37 1.755(9) .
Cl2 C37 1.716(12) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
Sb1 F3 1.842(5) 2_665
Sb1 F3 1.842(5) .
Sb1 F1 1.853(5) 2_665
Sb1 F1 1.853(4) .
Sb1 F2 1.858(4) 2_665
Sb1 F2 1.858(4) .
Sb2 F6 1.830(10) 2_655
Sb2 F6 1.830(10) .
Sb2 F5 1.837(9) 2_655
Sb2 F5 1.837(9) .
Sb2 F5A 1.844(16) .
Sb2 F5A 1.844(16) 2_655
Sb2 F6A 1.855(16) .
Sb2 F6A 1.855(16) 2_655
Sb2 F4 1.884(4) .
Sb2 F4 1.884(4) 2_655
Sb3 F9 1.786(6) .
Sb3 F8 1.808(6) .
Sb3 F7 1.826(6) .
Sb3 F11 1.845(5) .
Sb3 F10 1.846(7) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N3 H3N Fe2 0.88 2.57 3.364(5) 151.0
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
C5 C1 C2 C3 -0.6(9)
Fe1 C1 C2 C3 59.0(6)
C5 C1 C2 Fe1 -59.6(5)
C1 C2 C3 C4 0.3(9)
Fe1 C2 C3 C4 60.2(6)
C1 C2 C3 Fe1 -59.9(5)
C2 C3 C4 C5 0.2(9)
Fe1 C3 C4 C5 60.8(5)
C2 C3 C4 Fe1 -60.7(6)
C2 C1 C5 C4 0.7(8)
Fe1 C1 C5 C4 -58.0(5)
C2 C1 C5 Fe1 58.7(5)
C3 C4 C5 C1 -0.6(9)
Fe1 C4 C5 C1 59.3(5)
C3 C4 C5 Fe1 -59.8(6)
C11 N1 C6 C7 -119.7(8)
C13 N1 C6 C7 64.1(9)
C11 N1 C6 C10 52.9(9)
C13 N1 C6 C10 -123.3(7)
C11 N1 C6 Fe1 147.0(6)
C13 N1 C6 Fe1 -29.2(9)
C10 C6 C7 C8 0.0(8)
N1 C6 C7 C8 173.4(6)
Fe1 C6 C7 C8 -59.9(5)
C10 C6 C7 Fe1 59.9(5)
N1 C6 C7 Fe1 -126.7(6)
C6 C7 C8 C9 0.4(8)
Fe1 C7 C8 C9 -59.4(5)
C6 C7 C8 Fe1 59.8(5)
C7 C8 C9 C10 -0.7(8)
Fe1 C8 C9 C10 -59.9(5)
C7 C8 C9 Fe1 59.3(5)
C7 C6 C10 C9 -0.3(8)
N1 C6 C10 C9 -173.8(6)
Fe1 C6 C10 C9 59.3(5)
C7 C6 C10 Fe1 -59.6(5)
N1 C6 C10 Fe1 126.9(6)
C8 C9 C10 C6 0.6(8)
Fe1 C9 C10 C6 -59.0(4)
C8 C9 C10 Fe1 59.6(5)
C6 N1 C11 C12 -0.9(10)
C13 N1 C11 C12 175.5(6)
C6 N1 C11 S1 177.6(5)
C13 N1 C11 S1 -5.9(7)
C14 S1 C11 N1 -7.0(6)
C14 S1 C11 C12 171.7(6)
C11 N1 C13 C14 18.9(8)
C6 N1 C13 C14 -164.5(6)
C25 N2 C14 C13 128.5(6)
C15 N2 C14 C13 -39.7(7)
C25 N2 C14 S1 -111.6(5)
C15 N2 C14 S1 80.2(5)
N1 C13 C14 N2 101.6(6)
N1 C13 C14 S1 -21.9(6)
C11 S1 C14 N2 -108.8(4)
C11 S1 C14 C13 16.6(5)
C25 N2 C15 C16 -62.1(8)
C14 N2 C15 C16 105.6(7)
C25 N2 C15 C19 131.7(6)
C14 N2 C15 C19 -60.6(8)
C25 N2 C15 Fe2 36.2(9)
C14 N2 C15 Fe2 -156.0(5)
C19 C15 C16 C17 0.8(7)
N2 C15 C16 C17 -167.4(6)
Fe2 C15 C16 C17 59.3(4)
C19 C15 C16 Fe2 -58.6(4)
N2 C15 C16 Fe2 133.3(6)
C15 C16 C17 C18 -0.9(7)
Fe2 C16 C17 C18 58.2(5)
C15 C16 C17 Fe2 -59.1(4)
C16 C17 C18 C19 0.7(8)
Fe2 C17 C18 C19 60.0(5)
C16 C17 C18 Fe2 -59.3(5)
C17 C18 C19 C15 -0.2(8)
Fe2 C18 C19 C15 60.3(4)
C17 C18 C19 Fe2 -60.4(5)
C16 C15 C19 C18 -0.4(7)
N2 C15 C19 C18 167.9(6)
Fe2 C15 C19 C18 -59.8(5)
C16 C15 C19 Fe2 59.5(4)
N2 C15 C19 Fe2 -132.3(6)
C24 C20 C21 C22 -1.0(8)
Fe2 C20 C21 C22 -60.2(5)
C24 C20 C21 Fe2 59.2(5)
C20 C21 C22 C23 1.1(8)
Fe2 C21 C22 C23 -59.9(5)
C20 C21 C22 Fe2 61.1(5)
C21 C22 C23 C24 -0.9(9)
Fe2 C22 C23 C24 -61.0(5)
C21 C22 C23 Fe2 60.1(5)
C22 C23 C24 C20 0.3(9)
Fe2 C23 C24 C20 -60.1(5)
C22 C23 C24 Fe2 60.4(6)
C21 C20 C24 C23 0.4(8)
Fe2 C20 C24 C23 59.4(5)
C21 C20 C24 Fe2 -59.0(5)
C27 N3 C25 N2 173.6(5)
C27 N3 C25 C26 -6.7(8)
C15 N2 C25 N3 0.5(8)
C14 N2 C25 N3 -166.8(5)
C15 N2 C25 C26 -179.1(5)
C14 N2 C25 C26 13.6(8)
C25 N3 C27 C31 -53.7(8)
C25 N3 C27 C28 127.3(6)
C25 N3 C27 Fe3 -142.8(5)
C31 C27 C28 C29 0.4(7)
N3 C27 C28 C29 179.6(5)
Fe3 C27 C28 C29 59.5(4)
C31 C27 C28 Fe3 -59.1(4)
N3 C27 C28 Fe3 120.1(6)
C27 C28 C29 C30 0.0(7)
Fe3 C28 C29 C30 59.0(4)
C27 C28 C29 Fe3 -59.0(4)
C28 C29 C30 C31 -0.4(7)
Fe3 C29 C30 C31 58.7(4)
C28 C29 C30 Fe3 -59.1(4)
C28 C27 C31 C30 -0.6(7)
N3 C27 C31 C30 -179.8(5)
Fe3 C27 C31 C30 -60.1(4)
C28 C27 C31 Fe3 59.4(4)
N3 C27 C31 Fe3 -119.8(6)
C29 C30 C31 C27 0.6(7)
Fe3 C30 C31 C27 59.8(4)
C29 C30 C31 Fe3 -59.2(4)
C36 C32 C33 C34 0.2(7)
Fe3 C32 C33 C34 59.9(5)
C36 C32 C33 Fe3 -59.7(4)
C32 C33 C34 C35 0.0(8)
Fe3 C33 C34 C35 60.1(5)
C32 C33 C34 Fe3 -60.1(5)
C33 C34 C35 C36 -0.2(8)
Fe3 C34 C35 C36 59.5(5)
C33 C34 C35 Fe3 -59.7(5)
C33 C32 C36 C35 -0.3(7)
Fe3 C32 C36 C35 -59.3(4)
C33 C32 C36 Fe3 59.1(5)
C34 C35 C36 C32 0.3(7)
Fe3 C35 C36 C32 59.3(4)
C34 C35 C36 Fe3 -59.1(5)
