#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/93/1519308.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_1519308
loop_
_publ_author_name
'Hursthouse, Michael B.'
'Light, Mark E.'
'Willock, D. J.'
'Dickinson, A. A.'
'Calder, R. J.'
'Al-Fawaz, A.'
'Aldridge, Simon'
_publ_section_title
;
 (I.5-Cyclopentadienyl)-dicarbonyl-(bis(pentafluorophenyl)boryl)-iron
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              105
_journal_year                    2001
_chemical_formula_sum            'C19 H5 B F10 Fe O2'
_chemical_formula_weight         521.89
_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
_cell_angle_alpha                93.628(3)
_cell_angle_beta                 93.588(3)
_cell_angle_gamma                113.060(3)
_cell_formula_units_Z            4
_cell_length_a                   10.6895(2)
_cell_length_b                   13.4060(2)
_cell_length_c                   13.6885(2)
_cell_measurement_reflns_used    8404
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      2.91
_cell_volume                     1793.08(7)
_computing_cell_refinement       'DENZO & COLLECT'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, 1998)'
_computing_data_reduction        'DENZO & COLLECT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method       'Φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR%91 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_av_sigmaI/netI    0.1042
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12458
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    0.959
_exptl_absorpt_correction_T_max  0.9102
_exptl_absorpt_correction_T_min  0.8314
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.933
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         6094
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0858
_reflns_number_gt                4084
_reflns_number_total             6094
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            eCrystal-66.cif
_cod_data_source_block           01src618
_cod_depositor_comments
;
Citation :
Hursthouse, Michael B. and Light, Mark E. and Willock, D. J. and 
Dickinson, A. A. and Calder, R. J. and Al-Fawaz, A. and 
Aldridge, Simon (2001) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/66)

More at:
http://ecrystals.chem.soton.ac.uk/105/

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 3105 2015-03-04 15:46:00Z robertas 
;
_cod_original_cell_volume        1793.08(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1519308
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.56769(6) 0.24589(4) 0.45921(3) 0.01710(15) Uani 1 1 d . . .
Fe2 Fe 0.32135(6) -0.25383(4) 1.03181(3) 0.01762(15) Uani 1 1 d . . .
F16 F 0.1237(2) -0.10609(16) 1.21431(13) 0.0243(5) Uani 1 1 d . . .
F17 F 0.0139(2) -0.15195(17) 1.38736(13) 0.0290(6) Uani 1 1 d . . .
F6 F 0.3685(2) 0.40745(16) 0.64039(13) 0.0257(5) Uani 1 1 d . . .
F20 F 0.0292(2) -0.47830(16) 1.13829(13) 0.0240(5) Uani 1 1 d . . .
F14 F -0.3002(2) -0.35687(18) 0.87205(14) 0.0296(6) Uani 1 1 d . . .
F15 F -0.1250(2) -0.40356(16) 0.99138(13) 0.0239(5) Uani 1 1 d . . .
F5 F 0.1507(2) 0.06197(16) 0.46982(13) 0.0254(5) Uani 1 1 d . . .
F19 F -0.0799(2) -0.52283(16) 1.31085(13) 0.0267(5) Uani 1 1 d . . .
F9 F 0.2963(2) 0.03337(16) 0.80561(13) 0.0265(6) Uani 1 1 d . . .
F18 F -0.0849(2) -0.36001(17) 1.43668(13) 0.0265(5) Uani 1 1 d . . .
F10 F 0.3637(2) 0.05302(15) 0.62008(13) 0.0216(5) Uani 1 1 d . . .
F11 F 0.1992(2) -0.04133(16) 0.99767(13) 0.0246(5) Uani 1 1 d . . .
F2 F 0.1553(2) 0.41861(17) 0.30087(14) 0.0299(6) Uani 1 1 d . . .
F1 F 0.3755(2) 0.43170(16) 0.41684(13) 0.0257(5) Uani 1 1 d . . .
F12 F 0.0245(2) 0.00409(17) 0.87780(13) 0.0284(6) Uani 1 1 d . . .
F3 F -0.0687(2) 0.22796(17) 0.26984(13) 0.0288(6) Uani 1 1 d . . .
F7 F 0.3068(3) 0.38839(18) 0.82890(14) 0.0341(6) Uani 1 1 d . . .
F4 F -0.0704(2) 0.05022(18) 0.35433(14) 0.0327(6) Uani 1 1 d . . .
F8 F 0.2691(2) 0.20151(18) 0.91180(13) 0.0315(6) Uani 1 1 d . . .
F13 F -0.2282(2) -0.15165(18) 0.81607(13) 0.0306(6) Uani 1 1 d . . .
O1 O 0.5200(3) 0.3415(2) 0.28287(17) 0.0310(7) Uani 1 1 d . . .
O4 O 0.3364(3) -0.3944(2) 1.18132(17) 0.0293(7) Uani 1 1 d . . .
O3 O 0.4165(3) -0.0561(2) 1.16523(18) 0.0331(7) Uani 1 1 d . . .
C31 C -0.1766(4) -0.2793(3) 0.9017(2) 0.0215(9) Uani 1 1 d . . .
C12 C 0.0409(4) 0.1434(3) 0.3700(2) 0.0199(9) Uani 1 1 d . . .
C20 C 0.2443(4) -0.2994(3) 0.8825(2) 0.0199(9) Uani 1 1 d . . .
H20 H 0.1511 -0.3229 0.8581 0.024 Uiso 1 1 calc R . .
C13 C 0.1550(4) 0.1522(3) 0.4273(2) 0.0171(9) Uani 1 1 d . . .
C33 C 0.0835(4) -0.2892(3) 1.1709(2) 0.0136(8) Uani 1 1 d . . .
C5 C 0.6849(4) 0.3384(3) 0.5873(2) 0.0191(9) Uani 1 1 d . . .
H5 H 0.6551 0.3776 0.6341 0.023 Uiso 1 1 calc R . .
C9 C 0.2668(4) 0.3351(3) 0.4006(2) 0.0173(9) Uani 1 1 d . . .
C29 C -0.0124(4) -0.0973(3) 0.9060(2) 0.0185(9) Uani 1 1 d . . .
C28 C 0.0775(4) -0.1230(3) 0.9661(2) 0.0203(9) Uani 1 1 d . . .
C32 C -0.0837(4) -0.3011(3) 0.9637(2) 0.0184(9) Uani 1 1 d . . .
C30 C -0.1381(4) -0.1745(3) 0.8743(2) 0.0230(10) Uani 1 1 d . . .
C8 C 0.2719(4) 0.2452(3) 0.4447(2) 0.0157(9) Uani 1 1 d . . .
C11 C 0.0425(4) 0.2344(3) 0.3272(2) 0.0205(9) Uani 1 1 d . . .
C38 C 0.0293(4) -0.3948(3) 1.1994(2) 0.0169(9) Uani 1 1 d . . .
C34 C 0.0746(4) -0.2106(3) 1.2376(2) 0.0178(9) Uani 1 1 d . . .
O2 O 0.3876(3) 0.0249(2) 0.38326(18) 0.0314(7) Uani 1 1 d . . .
C15 C 0.3521(4) 0.3133(3) 0.6805(2) 0.0186(9) Uani 1 1 d . . .
C26 C 0.3271(4) -0.3381(3) 1.1231(3) 0.0212(9) Uani 1 1 d . . .
C25 C 0.3788(4) -0.1339(3) 1.1124(3) 0.0227(9) Uani 1 1 d . . .
C35 C 0.0189(4) -0.2316(3) 1.3255(2) 0.0179(9) Uani 1 1 d . . .
C24 C 0.3104(4) -0.3665(3) 0.9147(2) 0.0214(9) Uani 1 1 d . . .
H24 H 0.2686 -0.4431 0.9171 0.026 Uiso 1 1 calc R . .
C19 C 0.3513(4) 0.1389(3) 0.6697(2) 0.0166(9) Uani 1 1 d . . .
B2 B 0.1439(5) -0.2592(3) 1.0678(3) 0.0171(10) Uani 1 1 d . . .
C27 C 0.0455(4) -0.2255(3) 0.9971(2) 0.0172(9) Uani 1 1 d . . .
C18 C 0.3172(4) 0.1278(3) 0.7652(2) 0.0198(9) Uani 1 1 d . . .
C22 C 0.4704(5) -0.1918(3) 0.9304(2) 0.0270(10) Uani 1 1 d . . .
H22 H 0.5542 -0.1300 0.9441 0.032 Uiso 1 1 calc R . .
C1 C 0.7516(4) 0.3787(3) 0.5037(2) 0.0223(9) Uani 1 1 d . . .
H1 H 0.7733 0.4497 0.4836 0.027 Uiso 1 1 calc R . .
C17 C 0.3014(4) 0.2110(3) 0.8177(2) 0.0213(9) Uani 1 1 d . . .
C7 C 0.4594(5) 0.1130(3) 0.4133(2) 0.0229(10) Uani 1 1 d . . .
C37 C -0.0268(4) -0.4190(3) 1.2868(2) 0.0181(9) Uani 1 1 d . . .
C10 C 0.1553(4) 0.3300(3) 0.3427(2) 0.0203(9) Uani 1 1 d . . .
C36 C -0.0317(4) -0.3377(3) 1.3501(2) 0.0195(9) Uani 1 1 d . . .
C4 C 0.6705(4) 0.2292(3) 0.5889(2) 0.0200(9) Uani 1 1 d . . .
H4 H 0.6277 0.1814 0.6364 0.024 Uiso 1 1 calc R . .
C14 C 0.3697(4) 0.2319(3) 0.6229(2) 0.0168(9) Uani 1 1 d . . .
C2 C 0.7807(4) 0.2949(3) 0.4546(3) 0.0234(9) Uani 1 1 d . . .
H2 H 0.8259 0.3002 0.3964 0.028 Uiso 1 1 calc R . .
C6 C 0.5373(4) 0.3034(3) 0.3529(3) 0.0228(9) Uani 1 1 d . . .
C23 C 0.4494(4) -0.2995(3) 0.9426(2) 0.0229(10) Uani 1 1 d . . .
H23 H 0.5172 -0.3238 0.9659 0.027 Uiso 1 1 calc R . .
C16 C 0.3208(4) 0.3057(3) 0.7758(2) 0.0225(10) Uani 1 1 d . . .
C3 C 0.7313(4) 0.2031(3) 0.5069(2) 0.0227(9) Uani 1 1 d . . .
H3 H 0.7373 0.1352 0.4905 0.027 Uiso 1 1 calc R . .
C21 C 0.3425(4) -0.1916(3) 0.8935(2) 0.0235(10) Uani 1 1 d . . .
H21 H 0.3265 -0.1291 0.8788 0.028 Uiso 1 1 calc R . .
B1 B 0.3997(5) 0.2449(3) 0.5104(3) 0.0157(10) 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C7 Fe1 C6 93.98(17) . .
C7 Fe1 B1 82.27(17) . .
C6 Fe1 B1 91.48(17) . .
C7 Fe1 C1 157.88(16) . .
C6 Fe1 C1 92.98(17) . .
B1 Fe1 C1 118.51(15) . .
C7 Fe1 C5 142.13(14) . .
C6 Fe1 C5 123.54(15) . .
B1 Fe1 C5 91.00(16) . .
C1 Fe1 C5 39.29(13) . .
C7 Fe1 C4 105.12(15) . .
C6 Fe1 C4 158.78(17) . .
B1 Fe1 C4 100.04(15) . .
C1 Fe1 C4 65.87(14) . .
C5 Fe1 C4 39.33(12) . .
C7 Fe1 C2 118.68(16) . .
C6 Fe1 C2 97.36(17) . .
B1 Fe1 C2 156.37(16) . .
C1 Fe1 C2 39.46(13) . .
C5 Fe1 C2 65.86(14) . .
C4 Fe1 C2 65.53(14) . .
C7 Fe1 C3 94.39(16) . .
C6 Fe1 C3 131.47(16) . .
B1 Fe1 C3 137.01(15) . .
C1 Fe1 C3 65.57(14) . .
C5 Fe1 C3 65.85(13) . .
C4 Fe1 C3 39.37(13) . .
C2 Fe1 C3 38.53(13) . .
C26 Fe2 C25 95.00(16) . .
C26 Fe2 B2 91.20(16) . .
C25 Fe2 B2 80.99(17) . .
C26 Fe2 C24 94.65(14) . .
C25 Fe2 C24 161.25(17) . .
B2 Fe2 C24 114.84(17) . .
C26 Fe2 C21 158.26(14) . .
C25 Fe2 C21 101.84(15) . .
B2 Fe2 C21 104.85(15) . .
C24 Fe2 C21 65.48(14) . .
C26 Fe2 C20 128.21(16) . .
C25 Fe2 C20 136.38(14) . .
B2 Fe2 C20 91.16(16) . .
C24 Fe2 C20 39.36(12) . .
C21 Fe2 C20 38.94(14) . .
C26 Fe2 C23 94.17(14) . .
C25 Fe2 C23 123.93(18) . .
B2 Fe2 C23 153.79(17) . .
C24 Fe2 C23 39.16(15) . .
C21 Fe2 C23 65.02(13) . .
C20 Fe2 C23 65.54(14) . .
C26 Fe2 C22 125.66(16) . .
C25 Fe2 C22 96.02(17) . .
B2 Fe2 C22 143.09(15) . .
C24 Fe2 C22 65.33(15) . .
C21 Fe2 C22 39.38(14) . .
C20 Fe2 C22 65.71(15) . .
C23 Fe2 C22 38.25(13) . .
F14 C31 C30 121.4(3) . .
F14 C31 C32 120.7(3) . .
C30 C31 C32 117.8(4) . .
F4 C12 C13 122.2(3) . .
F4 C12 C11 119.7(3) . .
C13 C12 C11 118.1(4) . .
C21 C20 C24 107.2(4) . .
C21 C20 Fe2 70.3(2) . .
C24 C20 Fe2 69.68(19) . .
F5 C13 C12 117.2(3) . .
F5 C13 C8 118.4(3) . .
C12 C13 C8 124.4(3) . .
C34 C33 C38 114.5(3) . .
C34 C33 B2 121.3(3) . .
C38 C33 B2 124.1(3) . .
C1 C5 C4 107.6(3) . .
C1 C5 Fe1 70.0(2) . .
C4 C5 Fe1 70.3(2) . .
F1 C9 C10 118.2(3) . .
F1 C9 C8 119.1(3) . .
C10 C9 C8 122.7(4) . .
F12 C29 C30 119.6(3) . .
F12 C29 C28 120.3(4) . .
C30 C29 C28 120.2(3) . .
F11 C28 C29 117.0(3) . .
F11 C28 C27 120.1(3) . .
C29 C28 C27 122.8(4) . .
F15 C32 C27 119.3(3) . .
F15 C32 C31 116.7(4) . .
C27 C32 C31 124.0(3) . .
F13 C30 C29 121.4(3) . .
F13 C30 C31 118.4(4) . .
C29 C30 C31 120.1(3) . .
C13 C8 C9 114.9(3) . .
C13 C8 B1 120.0(3) . .
C9 C8 B1 125.2(3) . .
F3 C11 C10 120.3(3) . .
F3 C11 C12 119.4(4) . .
C10 C11 C12 120.3(3) . .
F20 C38 C37 117.7(3) . .
F20 C38 C33 119.4(3) . .
C37 C38 C33 122.9(3) . .
F16 C34 C35 117.8(3) . .
F16 C34 C33 117.9(3) . .
C35 C34 C33 124.3(3) . .
F6 C15 C16 117.7(3) . .
F6 C15 C14 118.1(3) . .
C16 C15 C14 124.2(3) . .
O4 C26 Fe2 176.6(3) . .
O3 C25 Fe2 179.6(3) . .
F17 C35 C34 121.6(3) . .
F17 C35 C36 120.0(3) . .
C34 C35 C36 118.4(3) . .
C23 C24 C20 108.1(4) . .
C23 C24 Fe2 71.4(2) . .
C20 C24 Fe2 70.95(19) . .
F10 C19 C18 117.3(3) . .
F10 C19 C14 119.7(3) . .
C18 C19 C14 123.0(3) . .
C27 B2 C33 111.4(3) . .
C27 B2 Fe2 122.7(3) . .
C33 B2 Fe2 125.8(2) . .
C28 C27 C32 115.0(3) . .
C28 C27 B2 125.0(4) . .
C32 C27 B2 120.0(3) . .
F9 C18 C17 120.2(3) . .
F9 C18 C19 120.1(3) . .
C17 C18 C19 119.7(3) . .
C23 C22 C21 107.3(4) . .
C23 C22 Fe2 70.6(2) . .
C21 C22 Fe2 69.4(2) . .
C5 C1 C2 108.2(3) . .
C5 C1 Fe1 70.7(2) . .
C2 C1 Fe1 71.1(2) . .
F8 C17 C18 120.2(3) . .
F8 C17 C16 119.9(3) . .
C18 C17 C16 119.8(3) . .
O2 C7 Fe1 179.8(4) . .
F19 C37 C36 119.3(3) . .
F19 C37 C38 120.9(3) . .
C36 C37 C38 119.9(3) . .
F2 C10 C11 119.7(3) . .
F2 C10 C9 120.7(4) . .
C11 C10 C9 119.6(3) . .
F18 C36 C37 120.5(3) . .
F18 C36 C35 119.5(3) . .
C37 C36 C35 120.0(3) . .
C5 C4 C3 108.1(3) . .
C5 C4 Fe1 70.40(19) . .
C3 C4 Fe1 71.18(19) . .
C15 C14 C19 114.3(3) . .
C15 C14 B1 121.2(3) . .
C19 C14 B1 124.4(3) . .
C3 C2 C1 108.2(3) . .
C3 C2 Fe1 71.0(2) . .
C1 C2 Fe1 69.4(2) . .
O1 C6 Fe1 178.7(3) . .
C22 C23 C24 108.7(3) . .
C22 C23 Fe2 71.2(2) . .
C24 C23 Fe2 69.4(2) . .
F7 C16 C15 121.6(3) . .
F7 C16 C17 119.4(3) . .
C15 C16 C17 119.0(3) . .
C2 C3 C4 107.9(3) . .
C2 C3 Fe1 70.4(2) . .
C4 C3 Fe1 69.4(2) . .
C20 C21 C22 108.6(3) . .
C20 C21 Fe2 70.77(19) . .
C22 C21 Fe2 71.22(19) . .
C8 B1 C14 111.6(3) . .
C8 B1 Fe1 124.7(2) . .
C14 B1 Fe1 123.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C7 1.749(4) .
Fe1 C6 1.760(4) .
Fe1 B1 1.964(4) .
Fe1 C1 2.092(4) .
Fe1 C5 2.101(4) .
Fe1 C4 2.099(3) .
Fe1 C2 2.114(4) .
Fe1 C3 2.122(4) .
Fe2 C26 1.751(4) .
Fe2 C25 1.760(4) .
Fe2 B2 1.965(5) .
Fe2 C24 2.096(3) .
Fe2 C21 2.107(3) .
Fe2 C20 2.113(3) .
Fe2 C23 2.123(3) .
Fe2 C22 2.131(4) .
F16 C34 1.357(4) .
F17 C35 1.340(4) .
F6 C15 1.361(4) .
F20 C38 1.354(3) .
F14 C31 1.339(4) .
F15 C32 1.355(4) .
F5 C13 1.361(4) .
F19 C37 1.353(4) .
F9 C18 1.357(4) .
F18 C36 1.347(4) .
F10 C19 1.354(3) .
F11 C28 1.353(4) .
F2 C10 1.352(4) .
F1 C9 1.353(4) .
F12 C29 1.349(4) .
F3 C11 1.353(4) .
F7 C16 1.350(4) .
F4 C12 1.339(4) .
F8 C17 1.355(4) .
F13 C30 1.351(4) .
O1 C6 1.152(4) .
O4 C26 1.157(4) .
O3 C25 1.145(4) .
C31 C30 1.384(5) .
C31 C32 1.395(5) .
C12 C13 1.369(5) .
C12 C11 1.380(5) .
C20 C21 1.407(5) .
C20 C24 1.418(5) .
C13 C8 1.370(5) .
C33 C34 1.386(4) .
C33 C38 1.395(5) .
C33 B2 1.598(5) .
C5 C1 1.410(5) .
C5 C4 1.414(5) .
C9 C10 1.366(5) .
C9 C8 1.398(4) .
C29 C30 1.358(5) .
C29 C28 1.384(5) .
C28 C27 1.382(5) .
C32 C27 1.381(5) .
C8 B1 1.589(5) .
C11 C10 1.365(5) .
C38 C37 1.373(5) .
C34 C35 1.373(5) .
O2 C7 1.158(4) .
C15 C16 1.366(5) .
C15 C14 1.385(4) .
C35 C36 1.381(5) .
C24 C23 1.414(5) .
C19 C18 1.381(4) .
C19 C14 1.389(5) .
B2 C27 1.595(5) .
C18 C17 1.360(5) .
C22 C23 1.394(5) .
C22 C21 1.428(5) .
C1 C2 1.420(4) .
C17 C16 1.373(5) .
C37 C36 1.367(4) .
C4 C3 1.422(5) .
C14 B1 1.600(5) .
C2 C3 1.398(5) .
