#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/72/4067203.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_4067203
loop_
_publ_author_name
'Dureen, Meghan A.'
'Brown, Christopher C.'
'Stephan, Douglas W.'
_publ_section_title
;
 Deprotonation and Addition Reactions of Frustrated Lewis Pairs with
 Alkynes
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6594
_journal_paper_doi               10.1021/om1009044
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C48.5 H26 B Cl F15 Fe P'
_chemical_formula_weight         1026.76
_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                 91.597(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9787(4)
_cell_length_b                   21.7431(7)
_cell_length_c                   17.9889(6)
_cell_measurement_temperature    150(2)
_cell_volume                     4292.5(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            71683
_diffrn_reflns_theta_full        32.48
_diffrn_reflns_theta_max         32.48
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.553
_exptl_absorpt_correction_T_max  0.8881
_exptl_absorpt_correction_T_min  0.8430
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.426
_refine_diff_density_min         -1.840
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         15485
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0620
_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)+(0.1258P)²+3.0294P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1857
_refine_ls_wR_factor_ref         0.2109
_reflns_number_gt                10966
_reflns_number_total             15485
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om1009044_si_002.cif
_cod_data_source_block           Ph3P(CpFe(C5H4))C=C(H)B(C6F5)3
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C48.50 H26 B Cl F15 Fe P'
_cod_database_code               4067203
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 0.82548(3) 0.242160(16) 0.946397(18) 0.01992(9) Uani 1 1 d .
P1 P 0.55230(5) 0.13292(2) 0.86984(3) 0.01771(12) Uani 1 1 d .
C2 C 0.55530(19) 0.21534(9) 0.86195(12) 0.0166(4) Uani 1 1 d .
C1 C 0.4703(2) 0.23918(10) 0.81442(12) 0.0170(4) Uani 1 1 d .
H1A H 0.4255 0.2091 0.7868 0.020 Uiso 1 1 calc R
C3 C 0.6481(2) 0.25278(10) 0.90330(12) 0.0170(4) Uani 1 1 d .
C7 C 0.6556(2) 0.26430(11) 0.98202(13) 0.0211(4) Uani 1 1 d .
H7A H 0.6096 0.2418 1.0208 0.025 Uiso 1 1 calc R
C6 C 0.7388(2) 0.31364(12) 0.99514(14) 0.0246(4) Uani 1 1 d .
H6A H 0.7607 0.3320 1.0447 0.030 Uiso 1 1 calc R
C4 C 0.7312(2) 0.29452(10) 0.86927(12) 0.0190(4) Uani 1 1 d .
H4A H 0.7480 0.2966 0.8150 0.023 Uiso 1 1 calc R
C5 C 0.7862(2) 0.33199(11) 0.92547(13) 0.0233(4) Uani 1 1 d .
H5A H 0.8467 0.3655 0.9176 0.028 Uiso 1 1 calc R
C9 C 0.8953(2) 0.15441(13) 0.93901(16) 0.0300(5) Uani 1 1 d .
H9A H 0.8522 0.1176 0.9177 0.036 Uiso 1 1 calc R
C8 C 0.9684(2) 0.19723(13) 0.89910(16) 0.0314(5) Uani 1 1 d .
H8A H 0.9853 0.1956 0.8448 0.038 Uiso 1 1 calc R
C12 C 1.0117(2) 0.24242(14) 0.94979(19) 0.0353(6) Uani 1 1 d .
H12A H 1.0649 0.2781 0.9375 0.042 Uiso 1 1 calc R
C11 C 0.9656(3) 0.22879(15) 1.02107(17) 0.0365(6) Uani 1 1 d .
H11A H 0.9815 0.2528 1.0678 0.044 Uiso 1 1 calc R
C10 C 0.8942(3) 0.17415(14) 1.01407(16) 0.0338(6) Uani 1 1 d .
H10A H 0.8501 0.1535 1.0551 0.041 Uiso 1 1 calc R
C25 C 0.6677(2) 0.09839(10) 0.81500(13) 0.0194(4) Uani 1 1 d .
C26 C 0.7471(2) 0.13557(10) 0.77624(13) 0.0206(4) Uani 1 1 d .
H26A H 0.7436 0.1790 0.7813 0.025 Uiso 1 1 calc R
C19 C 0.5687(2) 0.10800(10) 0.96502(13) 0.0222(4) Uani 1 1 d .
C13 C 0.4086(2) 0.10519(10) 0.83150(14) 0.0228(4) Uani 1 1 d .
C29 C 0.7553(2) 0.00795(11) 0.76024(15) 0.0289(5) Uani 1 1 d .
H29A H 0.7578 -0.0354 0.7542 0.035 Uiso 1 1 calc R
C28 C 0.8356(2) 0.04505(12) 0.72212(15) 0.0287(5) Uani 1 1 d .
H28A H 0.8934 0.0269 0.6905 0.034 Uiso 1 1 calc R
C20 C 0.4927(2) 0.13341(12) 1.01805(14) 0.0271(5) Uani 1 1 d .
H20A H 0.4354 0.1643 1.0039 0.033 Uiso 1 1 calc R
C24 C 0.6533(3) 0.06308(12) 0.98677(15) 0.0289(5) Uani 1 1 d .
H24A H 0.7040 0.0450 0.9509 0.035 Uiso 1 1 calc R
C15 C 0.1905(3) 0.09319(13) 0.8386(2) 0.0415(7) Uani 1 1 d .
H15A H 0.1180 0.0965 0.8659 0.050 Uiso 1 1 calc R
C18 C 0.4012(3) 0.08388(15) 0.75801(18) 0.0365(6) Uani 1 1 d .
H18A H 0.4730 0.0809 0.7300 0.044 Uiso 1 1 calc R
C21 C 0.5012(3) 0.11342(14) 1.09160(15) 0.0340(6) Uani 1 1 d .
H21A H 0.4480 0.1299 1.1273 0.041 Uiso 1 1 calc R
C27 C 0.8316(2) 0.10873(11) 0.73005(14) 0.0249(5) Uani 1 1 d .
H27A H 0.8867 0.1339 0.7039 0.030 Uiso 1 1 calc R
C23 C 0.6636(3) 0.04473(14) 1.06065(17) 0.0373(6) Uani 1 1 d .
H23A H 0.7230 0.0151 1.0756 0.045 Uiso 1 1 calc R
C14 C 0.3017(2) 0.11009(12) 0.87157(19) 0.0322(6) Uani 1 1 d .
H14A H 0.3050 0.1249 0.9213 0.039 Uiso 1 1 calc R
C30 C 0.6715(2) 0.03405(11) 0.80709(15) 0.0258(5) Uani 1 1 d .
H30A H 0.6171 0.0087 0.8336 0.031 Uiso 1 1 calc R
C16 C 0.1851(3) 0.07174(15) 0.7665(3) 0.0485(9) Uani 1 1 d .
H16A H 0.1089 0.0600 0.7444 0.058 Uiso 1 1 calc R
C22 C 0.5862(3) 0.07000(15) 1.11277(17) 0.0395(7) Uani 1 1 d .
H22A H 0.5923 0.0571 1.1632 0.047 Uiso 1 1 calc R
C17 C 0.2901(3) 0.06719(18) 0.7260(2) 0.0498(8) Uani 1 1 d .
H17A H 0.2858 0.0526 0.6762 0.060 Uiso 1 1 calc R
B1 B 0.4300(2) 0.31021(11) 0.79547(13) 0.0165(4) Uani 1 1 d .
C31 C 0.4457(2) 0.34763(10) 0.87469(11) 0.0173(4) Uani 1 1 d .
C43 C 0.50253(19) 0.34078(10) 0.72545(11) 0.0172(4) Uani 1 1 d .
C42 C 0.2452(2) 0.26155(11) 0.71643(13) 0.0224(4) Uani 1 1 d .
C32 C 0.3854(2) 0.32677(11) 0.93683(12) 0.0206(4) Uani 1 1 d .
C48 C 0.5928(2) 0.31306(10) 0.68488(12) 0.0182(4) Uani 1 1 d .
C44 C 0.4718(2) 0.39953(11) 0.70037(12) 0.0210(4) Uani 1 1 d .
C34 C 0.4816(2) 0.39834(12) 1.01951(13) 0.0261(5) Uani 1 1 d .
C45 C 0.5268(2) 0.42909(11) 0.64220(14) 0.0245(4) Uani 1 1 d .
C35 C 0.5435(2) 0.42124(11) 0.96050(13) 0.0240(4) Uani 1 1 d .
C36 C 0.5248(2) 0.39587(10) 0.89022(12) 0.0193(4) Uani 1 1 d .
C47 C 0.6518(2) 0.34110(11) 0.62626(12) 0.0215(4) Uani 1 1 d .
C46 C 0.6184(2) 0.39968(12) 0.60507(13) 0.0254(5) Uani 1 1 d .
C37 C 0.2839(2) 0.30569(11) 0.76814(12) 0.0203(4) Uani 1 1 d .
C41 C 0.1237(3) 0.24872(13) 0.69794(14) 0.0291(5) Uani 1 1 d .
C33 C 0.4014(2) 0.35019(12) 1.00756(13) 0.0252(5) Uani 1 1 d .
C38 C 0.1885(2) 0.34114(12) 0.79456(13) 0.0247(4) Uani 1 1 d .
C39 C 0.0661(2) 0.33087(14) 0.77543(15) 0.0315(6) Uani 1 1 d .
C40 C 0.0340(2) 0.28337(15) 0.72849(15) 0.0320(6) Uani 1 1 d .
F15 F 0.62881(14) 0.25487(6) 0.69925(8) 0.0248(3) Uani 1 1 d .
F5 F 0.59484(14) 0.41980(7) 0.83678(8) 0.0255(3) Uani 1 1 d .
F11 F 0.38443(15) 0.43129(7) 0.73523(9) 0.0298(3) Uani 1 1 d .
F10 F 0.32786(14) 0.22718(8) 0.68082(8) 0.0281(3) Uani 1 1 d .
F6 F 0.20930(15) 0.38798(8) 0.84157(10) 0.0334(4) Uani 1 1 d .
F1 F 0.30655(14) 0.27910(7) 0.92963(8) 0.0276(3) Uani 1 1 d .
F2 F 0.34152(17) 0.32599(9) 1.06474(9) 0.0376(4) Uani 1 1 d .
F14 F 0.73640(14) 0.31101(8) 0.58878(9) 0.0310(3) Uani 1 1 d .
F12 F 0.49274(18) 0.48601(8) 0.62141(10) 0.0386(4) Uani 1 1 d .
F13 F 0.67243(17) 0.42724(9) 0.54780(10) 0.0385(4) Uani 1 1 d .
F9 F 0.09478(17) 0.20275(9) 0.65061(10) 0.0393(4) Uani 1 1 d .
F4 F 0.62531(17) 0.46650(7) 0.97159(9) 0.0347(4) Uani 1 1 d .
F3 F 0.50281(18) 0.42069(9) 1.08824(9) 0.0377(4) Uani 1 1 d .
F7 F -0.02061(16) 0.36795(10) 0.80158(12) 0.0461(5) Uani 1 1 d .
F8 F -0.08364(15) 0.27254(11) 0.71080(11) 0.0469(5) Uani 1 1 d .
Cl1 Cl 1.0488(5) 0.5089(2) 1.1041(3) 0.241(2) Uani 1 1 d .
Cl2 Cl 1.0450(4) 0.38416(17) 1.0639(2) 0.1079(11) Uani 0.50 1 d P
C52 C 1.1141(11) 0.4408(6) 1.0624(8) 0.092(4) Uani 0.50 1 d P
H52A H 1.1301 0.4504 1.0098 0.111 Uiso 0.50 1 calc PR
H52B H 1.1940 0.4330 1.0875 0.111 Uiso 0.50 1 calc PR
C51 C 1.0000 0.5000 1.0000 0.190(18) Uani 0.50 2 d SP
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'
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'
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_3
C5 Fe1 C6 41.08(10) .
C5 Fe1 C11 114.34(12) .
C6 Fe1 C11 100.29(12) .
C5 Fe1 C12 102.11(11) .
C6 Fe1 C12 117.68(12) .
C11 Fe1 C12 40.83(13) .
C5 Fe1 C7 68.99(10) .
C6 Fe1 C7 40.88(10) .
C11 Fe1 C7 120.38(11) .
C12 Fe1 C7 155.47(12) .
C5 Fe1 C10 151.31(11) .
C6 Fe1 C10 117.71(11) .
C11 Fe1 C10 40.93(13) .
C12 Fe1 C10 68.41(12) .
C7 Fe1 C10 107.94(11) .
C5 Fe1 C4 40.67(9) .
C6 Fe1 C4 68.55(9) .
C11 Fe1 C4 152.05(12) .
C12 Fe1 C4 120.27(11) .
C7 Fe1 C4 68.54(9) .
C10 Fe1 C4 166.84(11) .
C5 Fe1 C8 122.76(11) .
C6 Fe1 C8 156.12(11) .
C11 Fe1 C8 68.47(13) .
C12 Fe1 C8 40.37(13) .
C7 Fe1 C8 162.85(11) .
C10 Fe1 C8 68.23(12) .
C4 Fe1 C8 111.15(10) .
C5 Fe1 C9 162.63(11) .
C6 Fe1 C9 156.09(11) .
C11 Fe1 C9 68.58(12) .
C12 Fe1 C9 68.36(12) .
C7 Fe1 C9 125.55(10) .
C10 Fe1 C9 40.36(12) .
C4 Fe1 C9 130.63(10) .
C8 Fe1 C9 40.82(11) .
C5 Fe1 C3 68.54(9) .
C6 Fe1 C3 68.48(9) .
C11 Fe1 C3 160.18(11) .
C12 Fe1 C3 158.81(11) .
C7 Fe1 C3 40.69(9) .
C10 Fe1 C3 128.71(11) .
C4 Fe1 C3 40.55(8) .
C8 Fe1 C3 127.90(10) .
C9 Fe1 C3 115.01(10) .
C25 P1 C2 111.06(10) .
C25 P1 C19 110.12(11) .
C2 P1 C19 111.93(11) .
C25 P1 C13 105.85(11) .
C2 P1 C13 108.66(10) .
C19 P1 C13 109.01(11) .
C1 C2 C3 123.91(19) .
C1 C2 P1 114.74(16) .
C3 C2 P1 121.32(15) .
C2 C1 B1 132.1(2) .
C4 C3 C7 106.87(19) .
C4 C3 C2 124.55(19) .
C7 C3 C2 127.40(19) .
C4 C3 Fe1 68.38(12) .
C7 C3 Fe1 68.07(13) .
C2 C3 Fe1 138.05(15) .
C6 C7 C3 108.2(2) .
C6 C7 Fe1 69.08(14) .
C3 C7 Fe1 71.24(13) .
C7 C6 C5 108.2(2) .
C7 C6 Fe1 70.04(14) .
C5 C6 Fe1 69.44(14) .
C5 C4 C3 108.77(19) .
C5 C4 Fe1 68.93(13) .
C3 C4 Fe1 71.07(12) .
C4 C5 C6 107.9(2) .
C4 C5 Fe1 70.40(13) .
C6 C5 Fe1 69.47(14) .
C10 C9 C8 107.4(3) .
C10 C9 Fe1 69.24(16) .
C8 C9 Fe1 69.26(15) .
C12 C8 C9 108.1(3) .
C12 C8 Fe1 69.46(16) .
C9 C8 Fe1 69.92(15) .
C8 C12 C11 108.4(3) .
C8 C12 Fe1 70.17(15) .
C11 C12 Fe1 69.26(16) .
C12 C11 C10 107.6(3) .
C12 C11 Fe1 69.91(16) .
C10 C11 Fe1 69.97(15) .
C9 C10 C11 108.5(3) .
C9 C10 Fe1 70.40(15) .
C11 C10 Fe1 69.11(15) .
C26 C25 C30 120.5(2) .
C26 C25 P1 119.68(16) .
C30 C25 P1 119.70(17) .
C25 C26 C27 119.6(2) .
C24 C19 C20 119.3(2) .
C24 C19 P1 121.69(19) .
C20 C19 P1 118.95(18) .
C14 C13 C18 119.0(2) .
C14 C13 P1 120.9(2) .
C18 C13 P1 119.80(19) .
C30 C29 C28 120.2(2) .
C29 C28 C27 120.3(2) .
C21 C20 C19 120.0(3) .
C23 C24 C19 120.3(3) .
C16 C15 C14 120.3(3) .
C17 C18 C13 120.4(3) .
C22 C21 C20 120.3(3) .
C26 C27 C28 120.1(2) .
C24 C23 C22 119.7(3) .
C15 C14 C13 119.9(3) .
C29 C30 C25 119.4(2) .
C15 C16 C17 120.3(3) .
C21 C22 C23 120.4(3) .
C18 C17 C16 120.0(4) .
C1 B1 C31 105.33(16) .
C1 B1 C43 113.88(17) .
C31 B1 C43 114.90(17) .
C1 B1 C37 104.94(17) .
C31 B1 C37 111.18(17) .
C43 B1 C37 106.24(16) .
C36 C31 C32 113.2(2) .
C36 C31 B1 126.79(18) .
C32 C31 B1 119.61(19) .
C48 C43 C44 113.49(19) .
C48 C43 B1 126.52(19) .
C44 C43 B1 119.96(18) .
F10 C42 C41 115.3(2) .
F10 C42 C37 120.0(2) .
C41 C42 C37 124.7(2) .
F1 C32 C33 115.9(2) .
F1 C32 C31 119.3(2) .
C33 C32 C31 124.8(2) .
F15 C48 C43 121.17(19) .
F15 C48 C47 114.56(19) .
C43 C48 C47 124.3(2) .
F11 C44 C45 116.4(2) .
F11 C44 C43 119.15(19) .
C45 C44 C43 124.4(2) .
F3 C34 C35 120.3(2) .
F3 C34 C33 120.7(2) .
C35 C34 C33 118.9(2) .
F12 C45 C46 119.5(2) .
F12 C45 C44 121.0(2) .
C46 C45 C44 119.4(2) .
F4 C35 C34 119.7(2) .
F4 C35 C36 120.5(2) .
C34 C35 C36 119.8(2) .
F5 C36 C31 120.92(19) .
F5 C36 C35 114.9(2) .
C31 C36 C35 124.1(2) .
F14 C47 C46 119.8(2) .
F14 C47 C48 120.8(2) .
C46 C47 C48 119.3(2) .
F13 C46 C47 120.4(2) .
F13 C46 C45 120.5(2) .
C47 C46 C45 119.1(2) .
C42 C37 C38 112.9(2) .
C42 C37 B1 120.7(2) .
C38 C37 B1 126.3(2) .
F9 C41 C40 120.2(2) .
F9 C41 C42 120.5(3) .
C40 C41 C42 119.3(3) .
F2 C33 C32 120.7(2) .
F2 C33 C34 120.1(2) .
C32 C33 C34 119.2(2) .
F6 C38 C37 121.2(2) .
F6 C38 C39 115.1(2) .
C37 C38 C39 123.7(2) .
F7 C39 C40 119.6(2) .
F7 C39 C38 120.3(3) .
C40 C39 C38 120.1(2) .
F8 C40 C41 120.5(3) .
F8 C40 C39 120.4(3) .
C41 C40 C39 119.0(2) .
C52 Cl1 C51 67.8(4) .
Cl2 C52 Cl1 118.2(8) .
Cl1 C51 Cl1 179.997(2) 3_767
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C5 2.033(2) .
Fe1 C6 2.034(2) .
Fe1 C11 2.035(3) .
Fe1 C12 2.044(3) .
Fe1 C7 2.046(2) .
Fe1 C10 2.046(3) .
Fe1 C4 2.053(2) .
Fe1 C8 2.053(3) .
Fe1 C9 2.062(3) .
Fe1 C3 2.089(2) .
P1 C25 1.792(2) .
P1 C2 1.798(2) .
P1 C19 1.800(2) .
P1 C13 1.808(2) .
C2 C1 1.351(3) .
C2 C3 1.487(3) .
C1 B1 1.640(3) .
C3 C4 1.436(3) .
C3 C7 1.438(3) .
C7 C6 1.425(3) .
C6 C5 1.427(3) .
C4 C5 1.420(3) .
C9 C10 1.417(4) .
C9 C8 1.435(4) .
C8 C12 1.414(4) .
C12 C11 1.423(5) .
C11 C10 1.427(5) .
C25 C26 1.390(3) .
C25 C30 1.407(3) .
C26 C27 1.391(3) .
C19 C24 1.396(3) .
C19 C20 1.398(3) .
C13 C14 1.398(3) .
C13 C18 1.401(4) .
C29 C30 1.387(3) .
C29 C28 1.390(4) .
C28 C27 1.393(3) .
C20 C21 1.393(4) .
C24 C23 1.389(4) .
C15 C16 1.379(6) .
C15 C14 1.392(4) .
C18 C17 1.383(4) .
C21 C22 1.373(5) .
C23 C22 1.396(5) .
C16 C17 1.384(6) .
B1 C31 1.646(3) .
B1 C43 1.649(3) .
B1 C37 1.667(3) .
C31 C36 1.385(3) .
C31 C32 1.391(3) .
C43 C48 1.385(3) .
C43 C44 1.393(3) .
C42 F10 1.351(3) .
C42 C41 1.393(4) .
C42 C37 1.395(3) .
C32 F1 1.354(3) .
C32 C33 1.377(3) .
C48 F15 1.349(3) .
C48 C47 1.393(3) .
C44 F11 1.351(3) .
C44 C45 1.381(3) .
C34 F3 1.343(3) .
C34 C35 1.370(4) .
C34 C33 1.381(4) .
C45 F12 1.343(3) .
C45 C46 1.380(4) .
C35 F4 1.344(3) .
C35 C36 1.389(3) .
C36 F5 1.352(3) .
C47 F14 1.334(3) .
C47 C46 1.376(4) .
C46 F13 1.344(3) .
C37 C38 1.395(3) .
C41 F9 1.345(3) .
C41 C40 1.368(4) .
C33 F2 1.344(3) .
C38 F6 1.339(3) .
C38 C39 1.395(4) .
C39 F7 1.343(3) .
C39 C40 1.374(5) .
C40 F8 1.342(3) .
Cl1 C52 1.816(13) .
Cl1 C51 1.943(5) .
Cl2 C52 1.446(16) .
C51 Cl1 1.943(5) 3_767
