#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/76/4077650.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_4077650
loop_
_publ_author_name
'Ding, Li'
'Fabrizi de Biani, Fabrizia'
'Bolte, Michael'
'Zanello, Piero'
'Wagner, Matthias'
_publ_section_title
;
 Reactivity of Ferrocenylboranes:  Rearrangements versus Electron
 Transfer Reactions
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              5763
_journal_paper_doi               10.1021/om000727w
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C36.5 H37 B2 Cl3 Fe2 N4 O2'
_chemical_formula_weight         803.37
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.09(1)
_cell_angle_beta                 104.65(1)
_cell_angle_gamma                105.13(1)
_cell_formula_units_Z            2
_cell_length_a                   9.017(1)
_cell_length_b                   14.060(2)
_cell_length_c                   15.639(2)
_cell_measurement_reflns_used    7092
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1
_cell_volume                     1831.6(4)
_computing_cell_refinement       'Siemens SMART'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    'XP (Siemens XTL-Plus)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Siemens CCD three-circle diffractometer'
_diffrn_measurement_method       ω
_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  0.0826
_diffrn_reflns_av_sigmaI/netI    0.0768
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27652
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  1200
_diffrn_standards_number         207
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_T_max  0.9494
_exptl_absorpt_correction_T_min  0.6788
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            brown-yellow
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             826
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.510
_refine_diff_density_min         -1.065
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         6697
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1165
_refine_ls_R_factor_gt           0.0672
_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)+(0.1124P)²+5.1395P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1825
_refine_ls_wR_factor_ref         0.2142
_reflns_number_gt                4380
_reflns_number_total             6697
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            om000727w.cif
_cod_data_source_block           3a(wa5)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C36.50 H37 B2 Cl3 Fe2 N4 O2'
_cod_database_code               4077650
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
B1 B 0.6318(9) 0.8735(5) 0.7565(5) 0.0266(16) Uani 1 1 d .
C1 C 0.6847(8) 0.9867(5) 0.7413(5) 0.0377(17) Uani 1 1 d .
H1A H 0.8018 1.0120 0.7596 0.057 Uiso 1 1 calc R
H1B H 0.6411 1.0266 0.7769 0.057 Uiso 1 1 calc R
H1C H 0.6437 0.9913 0.6778 0.057 Uiso 1 1 calc R
O1 O 0.7180(5) 0.8159(3) 0.7106(3) 0.0265(10) Uani 1 1 d .
B2 B 0.4896(8) 0.3496(5) 0.6923(5) 0.0223(15) Uani 1 1 d .
C2 C 0.4789(8) 0.2386(4) 0.7107(4) 0.0300(15) Uani 1 1 d .
H2A H 0.5872 0.2321 0.7325 0.045 Uiso 1 1 calc R
H2B H 0.4215 0.1925 0.6552 0.045 Uiso 1 1 calc R
H2C H 0.4215 0.2229 0.7558 0.045 Uiso 1 1 calc R
O2 O 0.6031(5) 0.4232(3) 0.7718(3) 0.0205(9) Uani 1 1 d .
C11 C 0.7050(6) 0.7201(4) 0.7277(4) 0.0208(13) Uani 1 1 d .
C12 C 0.6995(7) 0.6948(4) 0.8127(4) 0.0202(12) Uani 1 1 d .
C13 C 0.6611(7) 0.5961(4) 0.8289(4) 0.0209(12) Uani 1 1 d .
C14 C 0.6439(6) 0.5206(4) 0.7591(4) 0.0204(12) Uani 1 1 d .
C15 C 0.6674(6) 0.5479(4) 0.6775(4) 0.0180(12) Uani 1 1 d .
C16 C 0.6948(7) 0.6465(4) 0.6613(4) 0.0200(12) Uani 1 1 d .
H16 H 0.7063 0.6628 0.6050 0.024 Uiso 1 1 calc R
C17 C 0.6220(8) 0.5626(5) 0.9128(4) 0.0314(15) Uani 1 1 d .
H17A H 0.7193 0.5577 0.9554 0.047 Uiso 1 1 calc R
H17B H 0.5414 0.4973 0.8974 0.047 Uiso 1 1 calc R
H17C H 0.5802 0.6111 0.9399 0.047 Uiso 1 1 calc R
N21 N 0.7309(6) 0.7756(4) 0.8827(3) 0.0242(11) Uani 1 1 d .
N22 N 0.7058(6) 0.8640(4) 0.8601(3) 0.0253(11) Uani 1 1 d .
C23 C 0.7596(8) 0.9277(5) 0.9359(5) 0.0346(16) Uani 1 1 d .
H23 H 0.7563 0.9948 0.9403 0.041 Uiso 1 1 calc R
C24 C 0.8218(8) 0.8828(5) 1.0084(5) 0.0364(16) Uani 1 1 d .
H24 H 0.8666 0.9120 1.0694 0.044 Uiso 1 1 calc R
C25 C 0.8034(8) 0.7867(5) 0.9717(4) 0.0299(15) Uani 1 1 d .
H25 H 0.8359 0.7369 1.0033 0.036 Uiso 1 1 calc R
N31 N 0.6530(6) 0.4699(4) 0.6089(3) 0.0203(11) Uani 1 1 d .
N32 N 0.5808(6) 0.3740(3) 0.6145(3) 0.0207(11) Uani 1 1 d .
C33 C 0.5869(7) 0.3178(5) 0.5427(4) 0.0279(14) Uani 1 1 d .
H33 H 0.5462 0.2473 0.5296 0.034 Uiso 1 1 calc R
C34 C 0.6622(8) 0.3790(5) 0.4905(4) 0.0289(15) Uani 1 1 d .
H34 H 0.6802 0.3585 0.4357 0.035 Uiso 1 1 calc R
C35 C 0.7055(7) 0.4755(5) 0.5341(4) 0.0241(13) Uani 1 1 d .
H35 H 0.7608 0.5341 0.5158 0.029 Uiso 1 1 calc R
Fe1 Fe 0.26606(10) 0.86340(6) 0.77158(6) 0.0231(3) Uani 1 1 d .
C41 C 0.4416(7) 0.8183(4) 0.7298(4) 0.0245(13) Uani 1 1 d .
C42 C 0.3520(8) 0.7419(4) 0.7703(5) 0.0298(15) Uani 1 1 d .
H42 H 0.3965 0.7142 0.8208 0.036 Uiso 1 1 calc R
C43 C 0.1858(8) 0.7152(5) 0.7219(5) 0.0380(17) Uani 1 1 d .
H43 H 0.1020 0.6673 0.7353 0.046 Uiso 1 1 calc R
C44 C 0.1675(8) 0.7719(5) 0.6511(5) 0.0400(18) Uani 1 1 d .
H44 H 0.0698 0.7690 0.6084 0.048 Uiso 1 1 calc R
C45 C 0.3242(8) 0.8350(5) 0.6553(4) 0.0326(15) Uani 1 1 d .
H45 H 0.3466 0.8806 0.6151 0.039 Uiso 1 1 calc R
C51 C 0.3699(9) 0.9982(6) 0.8532(6) 0.046(2) Uani 1 1 d .
H51 H 0.4780 1.0379 0.8662 0.055 Uiso 1 1 calc R
C52 C 0.3105(12) 0.9242(6) 0.9017(5) 0.054(2) Uani 1 1 d .
H52 H 0.3712 0.9043 0.9526 0.065 Uiso 1 1 calc R
C53 C 0.1435(11) 0.8844(5) 0.8611(6) 0.052(2) Uani 1 1 d .
H53 H 0.0723 0.8332 0.8801 0.062 Uiso 1 1 calc R
C54 C 0.1011(8) 0.9352(5) 0.7862(5) 0.0396(18) Uani 1 1 d .
H54 H -0.0031 0.9244 0.7470 0.048 Uiso 1 1 calc R
C55 C 0.2409(9) 1.0033(5) 0.7817(5) 0.0367(17) Uani 1 1 d .
H55 H 0.2486 1.0464 0.7379 0.044 Uiso 1 1 calc R
Fe2 Fe 0.12891(10) 0.35203(7) 0.71059(6) 0.0248(3) Uani 1 1 d .
C61 C 0.3198(7) 0.3743(4) 0.6552(4) 0.0219(13) Uani 1 1 d .
C62 C 0.1764(8) 0.3038(5) 0.5962(4) 0.0318(15) Uani 1 1 d .
H62 H 0.1678 0.2372 0.5745 0.038 Uiso 1 1 calc R
C63 C 0.0501(8) 0.3493(5) 0.5754(4) 0.0342(16) Uani 1 1 d .
H63 H -0.0559 0.3184 0.5386 0.041 Uiso 1 1 calc R
C64 C 0.1109(7) 0.4484(5) 0.6195(4) 0.0279(14) Uani 1 1 d .
H64 H 0.0528 0.4961 0.6172 0.034 Uiso 1 1 calc R
C65 C 0.2747(7) 0.4647(5) 0.6681(4) 0.0237(13) Uani 1 1 d .
H65 H 0.3433 0.5255 0.7035 0.028 Uiso 1 1 calc R
C71 C 0.2084(9) 0.3211(6) 0.8369(5) 0.0370(17) Uani 1 1 d .
H71 H 0.3152 0.3222 0.8659 0.044 Uiso 1 1 calc R
C72 C 0.0867(10) 0.2368(6) 0.7839(6) 0.051(2) Uani 1 1 d .
H72 H 0.0968 0.1720 0.7715 0.061 Uiso 1 1 calc R
C73 C -0.0558(9) 0.2682(7) 0.7524(6) 0.052(2) Uani 1 1 d .
H73 H -0.1563 0.2279 0.7148 0.062 Uiso 1 1 calc R
C74 C -0.0186(9) 0.3693(6) 0.7874(5) 0.044(2) Uani 1 1 d .
H74 H -0.0909 0.4086 0.7778 0.053 Uiso 1 1 calc R
C75 C 0.1449(10) 0.4033(6) 0.8396(5) 0.0434(19) Uani 1 1 d .
H75 H 0.2007 0.4687 0.8704 0.052 Uiso 1 1 calc R
C1L C 0.7783(10) 0.3246(7) 0.9462(6) 0.057(2) Uani 1 1 d .
H1LA H 0.8041 0.2719 0.9124 0.069 Uiso 1 1 calc R
H1LB H 0.7683 0.3774 0.9085 0.069 Uiso 1 1 calc R
Cl11 Cl 0.5938(3) 0.2737(2) 0.96909(15) 0.0643(6) Uani 1 1 d .
Cl12 Cl 0.9352(3) 0.37494(17) 1.04466(16) 0.0617(6) Uani 1 1 d .
C2L C 0.7763(7) 0.9662(13) 0.5196(12) 0.062(5) Uani 0.50 1 d PDU
H2LA H 0.7934 0.9119 0.5544 0.074 Uiso 0.50 1 calc PR
H2LB H 0.8017 0.9528 0.4628 0.074 Uiso 0.50 1 calc PR
Cl21 Cl 0.5761(5) 0.9589(3) 0.4945(3) 0.0773(15) Uani 0.50 1 d PD
Cl22 Cl 0.9035(5) 1.0687(4) 0.5743(3) 0.0794(15) Uani 0.50 1 d PD
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'
B B 0.0013 0.0007 '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'
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'
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_3
O1 B1 C1 108.5(5) .
O1 B1 C41 111.6(5) .
C1 B1 C41 116.8(5) .
O1 B1 N22 101.3(5) .
C1 B1 N22 110.1(6) .
C41 B1 N22 107.5(5) .
C11 O1 B1 116.4(5) .
O2 B2 C2 110.5(5) .
O2 B2 C61 113.0(5) .
C2 B2 C61 116.3(5) .
O2 B2 N32 102.0(4) .
C2 B2 N32 109.1(5) .
C61 B2 N32 104.7(5) .
C14 O2 B2 116.3(4) .
O1 C11 C16 120.4(5) .
O1 C11 C12 120.8(5) .
C16 C11 C12 118.8(5) .
C13 C12 C11 122.4(5) .
C13 C12 N21 120.7(5) .
C11 C12 N21 116.9(5) .
C12 C13 C14 117.8(5) .
C12 C13 C17 124.9(5) .
C14 C13 C17 117.1(5) .
O2 C14 C15 121.5(5) .
O2 C14 C13 119.5(5) .
C15 C14 C13 119.0(5) .
C16 C15 C14 121.7(5) .
C16 C15 N31 120.5(5) .
C14 C15 N31 117.7(5) .
C11 C16 C15 119.6(5) .
C25 N21 N22 109.7(5) .
C25 N21 C12 130.8(5) .
N22 N21 C12 118.9(5) .
C23 N22 N21 106.1(5) .
C23 N22 B1 133.9(5) .
N21 N22 B1 119.9(5) .
N22 C23 C24 111.2(6) .
C25 C24 C23 104.7(6) .
N21 C25 C24 108.3(6) .
N32 N31 C35 110.6(5) .
N32 N31 C15 119.8(4) .
C35 N31 C15 129.6(5) .
C33 N32 N31 106.7(5) .
C33 N32 B2 133.3(5) .
N31 N32 B2 119.5(4) .
N32 C33 C34 109.6(6) .
C35 C34 C33 106.5(5) .
N31 C35 C34 106.6(5) .
C55 Fe1 C53 67.9(3) .
C55 Fe1 C43 152.6(3) .
C53 Fe1 C43 106.5(3) .
C55 Fe1 C52 68.0(3) .
C53 Fe1 C52 40.6(3) .
C43 Fe1 C52 126.2(3) .
C55 Fe1 C44 119.2(3) .
C53 Fe1 C44 124.7(3) .
C43 Fe1 C44 40.4(3) .
C52 Fe1 C44 162.6(4) .
C55 Fe1 C54 39.8(3) .
C53 Fe1 C54 41.1(3) .
C43 Fe1 C54 118.3(3) .
C52 Fe1 C54 68.5(3) .
C44 Fe1 C54 106.2(3) .
C55 Fe1 C42 165.4(3) .
C53 Fe1 C42 119.3(3) .
C43 Fe1 C42 41.0(3) .
C52 Fe1 C42 108.5(3) .
C44 Fe1 C42 68.5(3) .
C54 Fe1 C42 153.6(3) .
C55 Fe1 C51 40.5(3) .
C53 Fe1 C51 67.6(3) .
C43 Fe1 C51 164.3(3) .
C52 Fe1 C51 40.0(3) .
C44 Fe1 C51 155.0(4) .
C54 Fe1 C51 67.6(3) .
C42 Fe1 C51 127.9(3) .
C55 Fe1 C45 108.8(3) .
C53 Fe1 C45 163.1(3) .
C43 Fe1 C45 68.3(3) .
C52 Fe1 C45 155.3(3) .
C44 Fe1 C45 41.1(3) .
C54 Fe1 C45 125.8(3) .
C42 Fe1 C45 68.1(3) .
C51 Fe1 C45 121.5(3) .
C55 Fe1 C41 127.2(3) .
C53 Fe1 C41 154.3(3) .
C43 Fe1 C41 69.5(3) .
C52 Fe1 C41 120.2(3) .
C44 Fe1 C41 69.6(3) .
C54 Fe1 C41 163.4(3) .
C42 Fe1 C41 41.2(2) .
C51 Fe1 C41 109.0(3) .
C45 Fe1 C41 40.8(2) .
C45 C41 C42 105.2(6) .
C45 C41 B1 125.1(6) .
C42 C41 B1 129.7(6) .
C45 C41 Fe1 68.8(3) .
C42 C41 Fe1 68.4(3) .
B1 C41 Fe1 128.3(4) .
C43 C42 C41 109.1(6) .
C43 C42 Fe1 69.1(4) .
C41 C42 Fe1 70.4(3) .
C44 C43 C42 108.6(6) .
C44 C43 Fe1 70.2(4) .
C42 C43 Fe1 69.9(4) .
C43 C44 C45 107.4(6) .
C43 C44 Fe1 69.4(4) .
C45 C44 Fe1 69.7(4) .
C41 C45 C44 109.7(6) .
C41 C45 Fe1 70.5(3) .
C44 C45 Fe1 69.3(4) .
C52 C51 C55 108.2(7) .
C52 C51 Fe1 69.7(4) .
C55 C51 Fe1 69.1(4) .
C51 C52 C53 107.8(7) .
C51 C52 Fe1 70.3(4) .
C53 C52 Fe1 69.4(4) .
C52 C53 C54 107.8(7) .
C52 C53 Fe1 70.0(4) .
C54 C53 Fe1 69.8(4) .
C55 C54 C53 107.3(7) .
C55 C54 Fe1 69.6(4) .
C53 C54 Fe1 69.0(4) .
C54 C55 C51 108.9(7) .
C54 C55 Fe1 70.6(4) .
C51 C55 Fe1 70.4(4) .
C64 Fe2 C71 152.2(3) .
C64 Fe2 C65 41.0(2) .
C71 Fe2 C65 118.4(3) .
C64 Fe2 C63 40.4(3) .
C71 Fe2 C63 166.3(3) .
C65 Fe2 C63 68.5(3) .
C64 Fe2 C75 117.4(3) .
C71 Fe2 C75 40.6(3) .
C65 Fe2 C75 106.0(3) .
C63 Fe2 C75 152.0(3) .
C64 Fe2 C74 106.8(3) .
C71 Fe2 C74 68.1(3) .
C65 Fe2 C74 125.6(3) .
C63 Fe2 C74 118.9(3) .
C75 Fe2 C74 40.7(3) .
C64 Fe2 C62 68.0(3) .
C71 Fe2 C62 128.4(3) .
C65 Fe2 C62 68.1(3) .
C63 Fe2 C62 40.7(3) .
C75 Fe2 C62 164.6(3) .
C74 Fe2 C62 154.2(3) .
C64 Fe2 C73 126.1(3) .
C71 Fe2 C73 68.5(3) .
C65 Fe2 C73 163.1(3) .
C63 Fe2 C73 108.5(3) .
C75 Fe2 C73 68.5(4) .
C74 Fe2 C73 40.1(3) .
C62 Fe2 C73 121.3(3) .
C64 Fe2 C72 165.2(3) .
C71 Fe2 C72 40.5(3) .
C65 Fe2 C72 153.3(3) .
C63 Fe2 C72 128.6(3) .
C75 Fe2 C72 68.5(3) .
C74 Fe2 C72 68.1(3) .
C62 Fe2 C72 110.1(3) .
C73 Fe2 C72 41.2(3) .
C64 Fe2 C61 69.5(2) .
C71 Fe2 C61 107.1(3) .
C65 Fe2 C61 41.1(2) .
C63 Fe2 C61 69.6(2) .
C75 Fe2 C61 125.2(3) .
C74 Fe2 C61 163.2(3) .
C62 Fe2 C61 41.1(2) .
C73 Fe2 C61 155.0(3) .
C72 Fe2 C61 119.4(3) .
C65 C61 C62 104.5(5) .
C65 C61 B2 131.3(5) .
C62 C61 B2 124.2(5) .
C65 C61 Fe2 68.2(3) .
C62 C61 Fe2 68.5(3) .
B2 C61 Fe2 128.4(4) .
C63 C62 C61 110.0(6) .
C63 C62 Fe2 69.4(4) .
C61 C62 Fe2 70.4(3) .
C64 C63 C62 107.6(6) .
C64 C63 Fe2 69.6(4) .
C62 C63 Fe2 69.8(4) .
C63 C64 C65 108.4(5) .
C63 C64 Fe2 70.0(4) .
C65 C64 Fe2 69.7(3) .
C64 C65 C61 109.4(5) .
C64 C65 Fe2 69.4(3) .
C61 C65 Fe2 70.7(3) .
C72 C71 C75 109.0(7) .
C72 C71 Fe2 70.4(4) .
C75 C71 Fe2 69.9(4) .
C71 C72 C73 107.1(7) .
C71 C72 Fe2 69.1(4) .
C73 C72 Fe2 69.2(4) .
C74 C73 C72 107.6(8) .
C74 C73 Fe2 69.8(4) .
C72 C73 Fe2 69.6(4) .
C73 C74 C75 109.2(7) .
C73 C74 Fe2 70.2(4) .
C75 C74 Fe2 69.6(4) .
C71 C75 C74 107.1(7) .
C71 C75 Fe2 69.4(4) .
C74 C75 Fe2 69.6(4) .
Cl12 C1L Cl11 111.9(5) .
Cl22 C2L Cl21 117.8(8) .
C2L Cl21 Cl21 142.2(6) 2_676
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
B1 O1 1.518(8) .
B1 C1 1.592(9) .
B1 C41 1.617(9) .
B1 N22 1.618(9) .
O1 C11 1.373(7) .
B2 O2 1.511(8) .
B2 C2 1.589(9) .
B2 C61 1.631(9) .
B2 N32 1.641(8) .
O2 C14 1.364(7) .
C11 C16 1.380(8) .
C11 C12 1.410(8) .
C12 C13 1.397(8) .
C12 N21 1.438(7) .
C13 C14 1.416(8) .
C13 C17 1.518(8) .
C14 C15 1.409(8) .
C15 C16 1.396(8) .
C15 N31 1.435(7) .
N21 C25 1.357(8) .
N21 N22 1.375(7) .
N22 C23 1.332(8) .
C23 C24 1.401(10) .
C24 C25 1.381(9) .
N31 N32 1.356(7) .
N31 C35 1.367(7) .
N32 C33 1.347(7) .
C33 C34 1.394(9) .
C34 C35 1.384(9) .
Fe1 C55 2.038(6) .
Fe1 C53 2.040(7) .
Fe1 C43 2.041(6) .
Fe1 C52 2.048(7) .
Fe1 C44 2.051(7) .
Fe1 C54 2.051(7) .
Fe1 C42 2.052(6) .
Fe1 C51 2.055(7) .
Fe1 C45 2.056(6) .
Fe1 C41 2.080(6) .
C41 C45 1.441(9) .
C41 C42 1.454(9) .
C42 C43 1.432(10) .
C43 C44 1.412(11) .
C44 C45 1.441(10) .
C51 C52 1.404(12) .
C51 C55 1.417(11) .
C52 C53 1.417(12) .
C53 C54 1.437(11) .
C54 C55 1.391(10) .
Fe2 C64 2.041(6) .
Fe2 C71 2.043(7) .
Fe2 C65 2.045(6) .
Fe2 C63 2.047(7) .
Fe2 C75 2.050(7) .
Fe2 C74 2.051(6) .
Fe2 C62 2.052(6) .
Fe2 C73 2.056(7) .
Fe2 C72 2.061(7) .
Fe2 C61 2.079(6) .
C61 C65 1.449(8) .
C61 C62 1.450(9) .
C62 C63 1.426(9) .
C63 C64 1.410(9) .
C64 C65 1.429(8) .
C71 C72 1.420(11) .
C71 C75 1.421(10) .
C72 C73 1.448(11) .
C73 C74 1.406(11) .
C74 C75 1.427(11) .
C1L Cl12 1.758(9) .
C1L Cl11 1.768(8) .
C2L Cl22 1.609(14) .
C2L Cl21 1.7220(15) .
Cl21 Cl21 2.041(11) 2_676
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
_geom_torsion_site_symmetry_4
C1 B1 O1 C11 170.8(5) .
C41 B1 O1 C11 -59.1(7) .
N22 B1 O1 C11 55.0(6) .
C2 B2 O2 C14 169.3(5) .
C61 B2 O2 C14 -58.4(6) .
N32 B2 O2 C14 53.4(6) .
B1 O1 C11 C16 143.8(5) .
B1 O1 C11 C12 -35.4(7) .
O1 C11 C12 C13 169.6(5) .
C16 C11 C12 C13 -9.5(8) .
O1 C11 C12 N21 -8.6(8) .
C16 C11 C12 N21 172.3(5) .
C11 C12 C13 C14 6.8(8) .
N21 C12 C13 C14 -175.1(5) .
C11 C12 C13 C17 -167.7(6) .
N21 C12 C13 C17 10.4(9) .
B2 O2 C14 C15 -37.1(7) .
B2 O2 C14 C13 142.0(5) .
C12 C13 C14 O2 -178.6(5) .
C17 C13 C14 O2 -3.7(8) .
C12 C13 C14 C15 0.5(8) .
C17 C13 C14 C15 175.4(5) .
O2 C14 C15 C16 174.0(5) .
C13 C14 C15 C16 -5.1(8) .
O2 C14 C15 N31 -2.4(8) .
C13 C14 C15 N31 178.5(5) .
O1 C11 C16 C15 -174.4(5) .
C12 C11 C16 C15 4.8(8) .
C14 C15 C16 C11 2.4(8) .
N31 C15 C16 C11 178.7(5) .
C13 C12 N21 C25 35.4(9) .
C11 C12 N21 C25 -146.4(6) .
C13 C12 N21 N22 -154.5(5) .
C11 C12 N21 N22 23.8(7) .
C25 N21 N22 C23 -1.5(6) .
C12 N21 N22 C23 -173.6(5) .
C25 N21 N22 B1 175.8(5) .
C12 N21 N22 B1 3.7(7) .
O1 B1 N22 C23 136.5(7) .
C1 B1 N22 C23 21.8(9) .
C41 B1 N22 C23 -106.4(7) .
O1 B1 N22 N21 -40.0(7) .
C1 B1 N22 N21 -154.7(5) .
C41 B1 N22 N21 77.2(6) .
N21 N22 C23 C24 0.6(7) .
B1 N22 C23 C24 -176.1(6) .
N22 C23 C24 C25 0.4(8) .
N22 N21 C25 C24 1.8(7) .
C12 N21 C25 C24 172.7(6) .
C23 C24 C25 N21 -1.3(7) .
C16 C15 N31 N32 -160.3(5) .
C14 C15 N31 N32 16.1(7) .
C16 C15 N31 C35 21.0(8) .
C14 C15 N31 C35 -162.5(6) .
C35 N31 N32 C33 -0.1(6) .
C15 N31 N32 C33 -179.0(5) .
C35 N31 N32 B2 -172.9(5) .
C15 N31 N32 B2 8.2(7) .
O2 B2 N32 C33 149.2(6) .
C2 B2 N32 C33 32.3(9) .
C61 B2 N32 C33 -92.9(7) .
O2 B2 N32 N31 -40.3(6) .
C2 B2 N32 N31 -157.2(5) .
C61 B2 N32 N31 77.7(6) .
N31 N32 C33 C34 -0.7(7) .
B2 N32 C33 C34 170.7(6) .
N32 C33 C34 C35 1.2(7) .
N32 N31 C35 C34 0.9(6) .
C15 N31 C35 C34 179.6(5) .
C33 C34 C35 N31 -1.2(7) .
O1 B1 C41 C45 -90.1(7) .
C1 B1 C41 C45 35.5(9) .
N22 B1 C41 C45 159.7(5) .
O1 B1 C41 C42 87.8(8) .
C1 B1 C41 C42 -146.6(6) .
N22 B1 C41 C42 -22.4(8) .
O1 B1 C41 Fe1 -179.6(4) .
C1 B1 C41 Fe1 -53.9(8) .
N22 B1 C41 Fe1 70.3(6) .
C55 Fe1 C41 C45 -74.9(5) .
C53 Fe1 C41 C45 165.8(6) .
C43 Fe1 C41 C45 80.1(4) .
C52 Fe1 C41 C45 -159.1(4) .
C44 Fe1 C41 C45 36.9(4) .
C54 Fe1 C41 C45 -41.2(10) .
C42 Fe1 C41 C45 117.2(5) .
C51 Fe1 C41 C45 -116.5(5) .
C55 Fe1 C41 C42 167.9(4) .
C53 Fe1 C41 C42 48.6(8) .
C43 Fe1 C41 C42 -37.1(4) .
C52 Fe1 C41 C42 83.8(5) .
C44 Fe1 C41 C42 -80.3(4) .
C54 Fe1 C41 C42 -158.4(8) .
C51 Fe1 C41 C42 126.3(4) .
C45 Fe1 C41 C42 -117.2(5) .
C55 Fe1 C41 B1 43.6(7) .
C53 Fe1 C41 B1 -75.7(9) .
C43 Fe1 C41 B1 -161.3(6) .
C52 Fe1 C41 B1 -40.5(7) .
C44 Fe1 C41 B1 155.5(6) .
C54 Fe1 C41 B1 77.4(11) .
C42 Fe1 C41 B1 -124.3(7) .
C51 Fe1 C41 B1 2.1(6) .
C45 Fe1 C41 B1 118.6(7) .
C45 C41 C42 C43 -0.8(7) .
B1 C41 C42 C43 -179.0(6) .
Fe1 C41 C42 C43 58.4(4) .
C45 C41 C42 Fe1 -59.2(4) .
B1 C41 C42 Fe1 122.5(6) .
C55 Fe1 C42 C43 -162.2(10) .
C53 Fe1 C42 C43 81.4(5) .
C52 Fe1 C42 C43 124.5(5) .
C44 Fe1 C42 C43 -37.3(4) .
C54 Fe1 C42 C43 45.8(8) .
C51 Fe1 C42 C43 164.7(5) .
C45 Fe1 C42 C43 -81.7(4) .
C41 Fe1 C42 C43 -120.5(6) .
C55 Fe1 C42 C41 -41.7(13) .
C53 Fe1 C42 C41 -158.1(4) .
C43 Fe1 C42 C41 120.5(6) .
C52 Fe1 C42 C41 -115.1(5) .
C44 Fe1 C42 C41 83.2(4) .
C54 Fe1 C42 C41 166.3(6) .
C51 Fe1 C42 C41 -74.8(5) .
C45 Fe1 C42 C41 38.8(4) .
C41 C42 C43 C44 0.6(7) .
Fe1 C42 C43 C44 59.8(4) .
C41 C42 C43 Fe1 -59.2(4) .
C55 Fe1 C43 C44 50.9(8) .
C53 Fe1 C43 C44 124.6(5) .
C52 Fe1 C43 C44 164.7(4) .
C54 Fe1 C43 C44 81.7(5) .
C42 Fe1 C43 C44 -119.5(6) .
C51 Fe1 C43 C44 -169.8(9) .
C45 Fe1 C43 C44 -38.3(4) .
C41 Fe1 C43 C44 -82.2(4) .
C55 Fe1 C43 C42 170.4(6) .
C53 Fe1 C43 C42 -115.9(5) .
C52 Fe1 C43 C42 -75.8(5) .
C44 Fe1 C43 C42 119.5(6) .
C54 Fe1 C43 C42 -158.8(4) .
C51 Fe1 C43 C42 -50.3(12) .
C45 Fe1 C43 C42 81.1(4) .
C41 Fe1 C43 C42 37.3(4) .
C42 C43 C44 C45 -0.1(7) .
Fe1 C43 C44 C45 59.5(4) .
C42 C43 C44 Fe1 -59.6(4) .
C55 Fe1 C44 C43 -155.8(4) .
C53 Fe1 C44 C43 -73.7(5) .
C52 Fe1 C44 C43 -45.3(11) .
C54 Fe1 C44 C43 -114.8(4) .
C42 Fe1 C44 C43 37.8(4) .
C51 Fe1 C44 C43 173.5(6) .
C45 Fe1 C44 C43 118.7(6) .
C41 Fe1 C44 C43 82.1(4) .
C55 Fe1 C44 C45 85.4(5) .
C53 Fe1 C44 C45 167.6(4) .
C43 Fe1 C44 C45 -118.7(6) .
C52 Fe1 C44 C45 -164.0(9) .
C54 Fe1 C44 C45 126.4(4) .
C42 Fe1 C44 C45 -80.9(4) .
C51 Fe1 C44 C45 54.8(8) .
C41 Fe1 C44 C45 -36.6(4) .
C42 C41 C45 C44 0.7(7) .
B1 C41 C45 C44 179.1(5) .
Fe1 C41 C45 C44 -58.3(4) .
C42 C41 C45 Fe1 59.0(4) .
B1 C41 C45 Fe1 -122.7(6) .
C43 C44 C45 C41 -0.4(7) .
Fe1 C44 C45 C41 59.0(4) .
C43 C44 C45 Fe1 -59.4(4) .
C55 Fe1 C45 C41 125.7(4) .
C53 Fe1 C45 C41 -158.5(9) .
C43 Fe1 C45 C41 -83.4(4) .
C52 Fe1 C45 C41 47.5(9) .
C44 Fe1 C45 C41 -121.1(6) .
C54 Fe1 C45 C41 166.6(4) .
C42 Fe1 C45 C41 -39.2(4) .
C51 Fe1 C45 C41 82.8(5) .
C55 Fe1 C45 C44 -113.2(5) .
C53 Fe1 C45 C44 -37.4(12) .
C43 Fe1 C45 C44 37.7(4) .
C52 Fe1 C45 C44 168.7(7) .
C54 Fe1 C45 C44 -72.3(5) .
C42 Fe1 C45 C44 81.9(5) .
C51 Fe1 C45 C44 -156.1(4) .
C41 Fe1 C45 C44 121.1(6) .
C55 Fe1 C51 C52 119.8(6) .
C53 Fe1 C51 C52 38.1(5) .
C43 Fe1 C51 C52 -32.7(12) .
C44 Fe1 C51 C52 163.1(6) .
C54 Fe1 C51 C52 82.7(5) .
C42 Fe1 C51 C52 -72.4(5) .
C45 Fe1 C51 C52 -157.9(5) .
C41 Fe1 C51 C52 -114.7(5) .
C53 Fe1 C51 C55 -81.7(5) .
C43 Fe1 C51 C55 -152.5(9) .
C52 Fe1 C51 C55 -119.8(6) .
C44 Fe1 C51 C55 43.3(8) .
C54 Fe1 C51 C55 -37.1(4) .
C42 Fe1 C51 C55 167.8(4) .
C45 Fe1 C51 C55 82.3(5) .
C41 Fe1 C51 C55 125.5(4) .
C55 C51 C52 C53 -1.0(8) .
Fe1 C51 C52 C53 -59.6(5) .
C55 C51 C52 Fe1 58.6(5) .
C55 Fe1 C52 C51 -37.4(4) .
C53 Fe1 C52 C51 -118.7(7) .
C43 Fe1 C52 C51 169.6(4) .
C44 Fe1 C52 C51 -155.6(9) .
C54 Fe1 C52 C51 -80.4(5) .
C42 Fe1 C52 C51 127.5(4) .
C45 Fe1 C52 C51 50.0(9) .
C41 Fe1 C52 C51 83.8(5) .
C55 Fe1 C52 C53 81.3(5) .
C43 Fe1 C52 C53 -71.7(6) .
C44 Fe1 C52 C53 -36.9(12) .
C54 Fe1 C52 C53 38.3(4) .
C42 Fe1 C52 C53 -113.8(5) .
C51 Fe1 C52 C53 118.7(7) .
C45 Fe1 C52 C53 168.7(6) .
C41 Fe1 C52 C53 -157.4(4) .
C51 C52 C53 C54 0.2(8) .
Fe1 C52 C53 C54 -59.9(5) .
C51 C52 C53 Fe1 60.1(5) .
C55 Fe1 C53 C52 -81.5(5) .
C43 Fe1 C53 C52 127.0(5) .
C44 Fe1 C53 C52 167.4(5) .
C54 Fe1 C53 C52 -118.7(6) .
C42 Fe1 C53 C52 84.4(5) .
C51 Fe1 C53 C52 -37.6(5) .
C45 Fe1 C53 C52 -163.6(9) .
C41 Fe1 C53 C52 49.9(8) .
C55 Fe1 C53 C54 37.2(4) .
C43 Fe1 C53 C54 -114.3(4) .
C52 Fe1 C53 C54 118.7(6) .
C44 Fe1 C53 C54 -73.9(5) .
C42 Fe1 C53 C54 -156.9(4) .
C51 Fe1 C53 C54 81.1(5) .
C45 Fe1 C53 C54 -44.9(12) .
C41 Fe1 C53 C54 168.6(5) .
C52 C53 C54 C55 0.6(7) .
Fe1 C53 C54 C55 -59.3(5) .
C52 C53 C54 Fe1 60.0(5) .
C53 Fe1 C54 C55 118.9(6) .
C43 Fe1 C54 C55 -158.4(4) .
C52 Fe1 C54 C55 81.0(5) .
C44 Fe1 C54 C55 -116.5(5) .
C42 Fe1 C54 C55 169.4(6) .
C51 Fe1 C54 C55 37.7(5) .
C45 Fe1 C54 C55 -75.8(5) .
C41 Fe1 C54 C55 -43.7(11) .
C55 Fe1 C54 C53 -118.9(6) .
C43 Fe1 C54 C53 82.8(5) .
C52 Fe1 C54 C53 -37.8(5) .
C44 Fe1 C54 C53 124.6(5) .
C42 Fe1 C54 C53 50.5(8) .
C51 Fe1 C54 C53 -81.1(5) .
C45 Fe1 C54 C53 165.3(5) .
C41 Fe1 C54 C53 -162.6(8) .
C53 C54 C55 C51 -1.2(7) .
Fe1 C54 C55 C51 -60.2(5) .
C53 C54 C55 Fe1 58.9(4) .
C52 C51 C55 C54 1.4(8) .
Fe1 C51 C55 C54 60.3(5) .
C52 C51 C55 Fe1 -59.0(5) .
C53 Fe1 C55 C54 -38.4(5) .
C43 Fe1 C55 C54 44.9(8) .
C52 Fe1 C55 C54 -82.4(5) .
C44 Fe1 C55 C54 80.1(5) .
C42 Fe1 C55 C54 -161.0(10) .
C51 Fe1 C55 C54 -119.4(6) .
C45 Fe1 C55 C54 123.9(5) .
C41 Fe1 C55 C54 165.6(4) .
C53 Fe1 C55 C51 80.9(5) .
C43 Fe1 C55 C51 164.3(6) .
C52 Fe1 C55 C51 37.0(5) .
C44 Fe1 C55 C51 -160.6(4) .
C54 Fe1 C55 C51 119.4(6) .
C42 Fe1 C55 C51 -41.6(13) .
C45 Fe1 C55 C51 -116.8(5) .
C41 Fe1 C55 C51 -75.0(5) .
O2 B2 C61 C65 18.6(9) .
C2 B2 C61 C65 148.0(6) .
N32 B2 C61 C65 -91.5(7) .
O2 B2 C61 C62 -163.4(5) .
C2 B2 C61 C62 -34.0(8) .
N32 B2 C61 C62 86.4(6) .
O2 B2 C61 Fe2 -75.1(6) .
C2 B2 C61 Fe2 54.4(7) .
N32 B2 C61 Fe2 174.8(4) .
C64 Fe2 C61 C65 37.0(4) .
C71 Fe2 C61 C65 -113.8(4) .
C63 Fe2 C61 C65 80.2(4) .
C75 Fe2 C61 C65 -72.8(5) .
C74 Fe2 C61 C65 -43.2(10) .
C62 Fe2 C61 C65 116.7(5) .
C73 Fe2 C61 C65 170.5(7) .
C72 Fe2 C61 C65 -156.0(4) .
C64 Fe2 C61 C62 -79.6(4) .
C71 Fe2 C61 C62 129.5(4) .
C65 Fe2 C61 C62 -116.7(5) .
C63 Fe2 C61 C62 -36.4(4) .
C75 Fe2 C61 C62 170.6(4) .
C74 Fe2 C61 C62 -159.9(9) .
C73 Fe2 C61 C62 53.9(8) .
C72 Fe2 C61 C62 87.3(5) .
C64 Fe2 C61 B2 163.1(6) .
C71 Fe2 C61 B2 12.3(6) .
C65 Fe2 C61 B2 126.1(7) .
C63 Fe2 C61 B2 -153.7(6) .
C75 Fe2 C61 B2 53.3(6) .
C74 Fe2 C61 B2 82.9(11) .
C62 Fe2 C61 B2 -117.2(7) .
C73 Fe2 C61 B2 -63.4(9) .
C72 Fe2 C61 B2 -30.0(6) .
C65 C61 C62 C63 -0.7(7) .
B2 C61 C62 C63 -179.2(5) .
Fe2 C61 C62 C63 58.3(4) .
C65 C61 C62 Fe2 -59.0(4) .
B2 C61 C62 Fe2 122.6(5) .
C64 Fe2 C62 C63 -37.8(4) .
C71 Fe2 C62 C63 168.4(4) .
C65 Fe2 C62 C63 -82.1(4) .
C75 Fe2 C62 C63 -151.8(11) .
C74 Fe2 C62 C63 45.4(8) .
C73 Fe2 C62 C63 82.2(5) .
C72 Fe2 C62 C63 126.5(5) .
C61 Fe2 C62 C63 -121.4(6) .
C64 Fe2 C62 C61 83.6(4) .
C71 Fe2 C62 C61 -70.2(5) .
C65 Fe2 C62 C61 39.3(4) .
C63 Fe2 C62 C61 121.4(6) .
C75 Fe2 C62 C61 -30.4(13) .
C74 Fe2 C62 C61 166.8(6) .
C73 Fe2 C62 C61 -156.4(4) .
C72 Fe2 C62 C61 -112.1(4) .
C61 C62 C63 C64 0.7(7) .
Fe2 C62 C63 C64 59.6(4) .
C61 C62 C63 Fe2 -58.9(4) .
C71 Fe2 C63 C64 -160.6(11) .
C65 Fe2 C63 C64 -37.8(3) .
C75 Fe2 C63 C64 45.8(8) .
C74 Fe2 C63 C64 82.0(5) .
C62 Fe2 C63 C64 -118.8(5) .
C73 Fe2 C63 C64 124.5(4) .
C72 Fe2 C63 C64 166.0(4) .
C61 Fe2 C63 C64 -82.0(4) .
C64 Fe2 C63 C62 118.8(5) .
C71 Fe2 C63 C62 -41.9(13) .
C65 Fe2 C63 C62 80.9(4) .
C75 Fe2 C63 C62 164.5(6) .
C74 Fe2 C63 C62 -159.3(4) .
C73 Fe2 C63 C62 -116.8(4) .
C72 Fe2 C63 C62 -75.2(5) .
C61 Fe2 C63 C62 36.8(4) .
C62 C63 C64 C65 -0.4(7) .
Fe2 C63 C64 C65 59.4(4) .
C62 C63 C64 Fe2 -59.7(5) .
C71 Fe2 C64 C63 170.3(5) .
C65 Fe2 C64 C63 119.5(5) .
C75 Fe2 C64 C63 -157.7(4) .
C74 Fe2 C64 C63 -115.1(4) .
C62 Fe2 C64 C63 38.1(4) .
C73 Fe2 C64 C63 -75.4(5) .
C72 Fe2 C64 C63 -47.4(12) .
C61 Fe2 C64 C63 82.3(4) .
C71 Fe2 C64 C65 50.9(7) .
C63 Fe2 C64 C65 -119.5(5) .
C75 Fe2 C64 C65 82.8(4) .
C74 Fe2 C64 C65 125.5(4) .
C62 Fe2 C64 C65 -81.4(4) .
C73 Fe2 C64 C65 165.1(4) .
C72 Fe2 C64 C65 -166.9(11) .
C61 Fe2 C64 C65 -37.2(3) .
C63 C64 C65 C61 -0.1(7) .
Fe2 C64 C65 C61 59.5(4) .
C63 C64 C65 Fe2 -59.6(4) .
C62 C61 C65 C64 0.5(6) .
B2 C61 C65 C64 178.8(6) .
Fe2 C61 C65 C64 -58.7(4) .
C62 C61 C65 Fe2 59.2(4) .
B2 C61 C65 Fe2 -122.5(6) .
C71 Fe2 C65 C64 -155.7(4) .
C63 Fe2 C65 C64 37.3(4) .
C75 Fe2 C65 C64 -113.7(4) .
C74 Fe2 C65 C64 -73.5(5) .
C62 Fe2 C65 C64 81.3(4) .
C73 Fe2 C65 C64 -45.6(12) .
C72 Fe2 C65 C64 172.6(6) .
C61 Fe2 C65 C64 120.6(5) .
C64 Fe2 C65 C61 -120.6(5) .
C71 Fe2 C65 C61 83.7(4) .
C63 Fe2 C65 C61 -83.3(4) .
C75 Fe2 C65 C61 125.7(4) .
C74 Fe2 C65 C61 165.9(4) .
C62 Fe2 C65 C61 -39.3(4) .
C73 Fe2 C65 C61 -166.2(10) .
C72 Fe2 C65 C61 52.0(8) .
C64 Fe2 C71 C72 166.0(5) .
C65 Fe2 C71 C72 -158.7(4) .
C63 Fe2 C71 C72 -41.4(13) .
C75 Fe2 C71 C72 119.9(6) .
C74 Fe2 C71 C72 81.6(5) .
C62 Fe2 C71 C72 -75.2(5) .
C73 Fe2 C71 C72 38.3(5) .
C61 Fe2 C71 C72 -115.5(4) .
C64 Fe2 C71 C75 46.1(8) .
C65 Fe2 C71 C75 81.4(5) .
C63 Fe2 C71 C75 -161.3(10) .
C74 Fe2 C71 C75 -38.3(5) .
C62 Fe2 C71 C75 164.9(4) .
C73 Fe2 C71 C75 -81.6(5) .
C72 Fe2 C71 C75 -119.9(6) .
C61 Fe2 C71 C75 124.6(4) .
C75 C71 C72 C73 0.5(8) .
Fe2 C71 C72 C73 -59.0(5) .
C75 C71 C72 Fe2 59.5(5) .
C64 Fe2 C72 C71 -153.9(10) .
C65 Fe2 C72 C71 45.4(8) .
C63 Fe2 C72 C71 168.5(4) .
C75 Fe2 C72 C71 -37.4(4) .
C74 Fe2 C72 C71 -81.4(5) .
C62 Fe2 C72 C71 126.3(4) .
C73 Fe2 C72 C71 -118.8(7) .
C61 Fe2 C72 C71 81.9(5) .
C64 Fe2 C72 C73 -35.1(14) .
C71 Fe2 C72 C73 118.8(7) .
C65 Fe2 C72 C73 164.2(6) .
C63 Fe2 C72 C73 -72.8(6) .
C75 Fe2 C72 C73 81.4(5) .
C74 Fe2 C72 C73 37.4(5) .
C62 Fe2 C72 C73 -114.9(5) .
C61 Fe2 C72 C73 -159.3(5) .
C71 C72 C73 C74 -0.8(8) .
Fe2 C72 C73 C74 -59.7(5) .
C71 C72 C73 Fe2 58.9(5) .
C64 Fe2 C73 C74 -71.8(6) .
C71 Fe2 C73 C74 81.1(5) .
C65 Fe2 C73 C74 -36.4(13) .
C63 Fe2 C73 C74 -113.1(5) .
C75 Fe2 C73 C74 37.2(4) .
C62 Fe2 C73 C74 -156.1(4) .
C72 Fe2 C73 C74 118.8(7) .
C61 Fe2 C73 C74 165.5(6) .
C64 Fe2 C73 C72 169.5(5) .
C71 Fe2 C73 C72 -37.7(5) .
C65 Fe2 C73 C72 -155.1(9) .
C63 Fe2 C73 C72 128.1(5) .
C75 Fe2 C73 C72 -81.5(5) .
C74 Fe2 C73 C72 -118.8(7) .
C62 Fe2 C73 C72 85.2(6) .
C61 Fe2 C73 C72 46.7(10) .
C72 C73 C74 C75 0.7(8) .
Fe2 C73 C74 C75 -58.8(5) .
C72 C73 C74 Fe2 59.6(5) .
C64 Fe2 C74 C73 126.8(5) .
C71 Fe2 C74 C73 -82.2(5) .
C65 Fe2 C74 C73 167.8(4) .
C63 Fe2 C74 C73 84.7(5) .
C75 Fe2 C74 C73 -120.4(7) .
C62 Fe2 C74 C73 52.7(9) .
C72 Fe2 C74 C73 -38.5(5) .
C61 Fe2 C74 C73 -158.6(8) .
C64 Fe2 C74 C75 -112.8(5) .
C71 Fe2 C74 C75 38.2(4) .
C65 Fe2 C74 C75 -71.8(5) .
C63 Fe2 C74 C75 -154.9(4) .
C62 Fe2 C74 C75 173.1(6) .
C73 Fe2 C74 C75 120.4(7) .
C72 Fe2 C74 C75 82.0(5) .
C61 Fe2 C74 C75 -38.1(11) .
C72 C71 C75 C74 -0.1(7) .
Fe2 C71 C75 C74 59.7(4) .
C72 C71 C75 Fe2 -59.8(5) .
C73 C74 C75 C71 -0.4(8) .
Fe2 C74 C75 C71 -59.6(4) .
C73 C74 C75 Fe2 59.2(5) .
C64 Fe2 C75 C71 -157.7(4) .
C65 Fe2 C75 C71 -115.2(4) .
C63 Fe2 C75 C71 170.7(6) .
C74 Fe2 C75 C71 118.3(7) .
C62 Fe2 C75 C71 -50.4(13) .
C73 Fe2 C75 C71 81.6(5) .
C72 Fe2 C75 C71 37.2(4) .
C61 Fe2 C75 C71 -74.4(5) .
C64 Fe2 C75 C74 84.0(5) .
C71 Fe2 C75 C74 -118.3(7) .
C65 Fe2 C75 C74 126.5(4) .
C63 Fe2 C75 C74 52.5(8) .
C62 Fe2 C75 C74 -168.6(10) .
C73 Fe2 C75 C74 -36.6(4) .
C72 Fe2 C75 C74 -81.1(5) .
C61 Fe2 C75 C74 167.3(4) .
Cl22 C2L Cl21 Cl21 3(2) 2_676
