#------------------------------------------------------------------------------
#$Date: 2016-02-05 01:46:29 +0200 (Fri, 05 Feb 2016) $
#$Revision: 176058 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/74/7037433.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_7037433
loop_
_publ_author_name
'Ji, Wei'
'Qu, Jian'
'Jing, Su'
'Zhu, Dunru'
'Huang, Wei'
_publ_section_title
;
 Copper(i) halide clusters based upon ferrocenylchalcogenoether ligands:
 donors, halides and semi-rigidity effects on the geometry and catalytic
 activity.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1016
_journal_page_last               1024
_journal_paper_doi               10.1039/c5dt03993b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C21 H20 Cu Fe2 I Te2'
_chemical_formula_weight         829.71
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-11-13 deposited with the CCDC.
2015-11-20 downloaded from the CCDC.
;
_cell_angle_alpha                104.7100(10)
_cell_angle_beta                 100.6070(10)
_cell_angle_gamma                96.2980(10)
_cell_formula_units_Z            2
_cell_length_a                   7.4735(9)
_cell_length_b                   11.6218(14)
_cell_length_c                   13.8275(16)
_cell_measurement_reflns_used    5585
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.88
_cell_measurement_theta_min      1.58
_cell_volume                     1126.2(2)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_laue_measured_fraction_full 0.988
_diffrn_reflns_laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7977
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.002
_diffrn_reflns_theta_max         25.002
_diffrn_reflns_theta_min         1.561
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    6.120
_exptl_absorpt_correction_T_max  0.7103
_exptl_absorpt_correction_T_min  0.3741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         2.422
_refine_diff_density_min         -3.695
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         3928
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0456
_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)+(0.0152P)²+16.1376P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0961
_refine_ls_wR_factor_ref         0.0986
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3583
_reflns_number_total             3928
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt03993b2.cif
_cod_data_source_block           JWC-3
_cod_depositor_comments
'Adding full bibliography for 7037430--7037437.cif.'
_cod_database_code               7037433
_audit_block_doi                 10.5517/cc1jlwhh
_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   0.374
_shelx_estimated_absorpt_t_max   0.710
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
I I 1.06186(8) 0.82994(5) 0.40417(4) 0.04419(16) Uani 1 1 d . U
Te1 Te 0.81020(7) 0.87914(5) 0.68107(4) 0.03996(13) Uani 1 1 d . .
Te2 Te 0.36600(7) 0.95479(5) 0.70247(4) 0.03996(13) Uani 1 1 d . .
Cu Cu 1.05143(14) 0.96031(10) 0.58725(8) 0.03996(13) Uani 1 1 d . U
Fe1 Fe 0.91561(15) 0.58921(10) 0.69412(9) 0.0327(3) Uani 1 1 d . .
Fe2 Fe 0.44547(16) 1.23971(12) 0.89801(9) 0.0390(3) Uani 1 1 d . .
C21 C 0.5514(11) 0.9098(9) 0.6014(7) 0.043(2) Uani 1 1 d . .
H21A H 0.5745 0.9751 0.5710 0.064 Uiso 1 1 calc R U
H21B H 0.4937 0.8379 0.5465 0.064 Uiso 1 1 calc R U
C1 C 0.7508(11) 0.6904(8) 0.6310(6) 0.0369(18) Uani 1 1 d . .
C2 C 0.8207(12) 0.6157(8) 0.5544(6) 0.0394(19) Uani 1 1 d . .
H2A H 0.8975 0.6434 0.5118 0.047 Uiso 1 1 calc R U
C3 C 0.7635(13) 0.4929(9) 0.5502(7) 0.047(2) Uani 1 1 d . .
H3A H 0.7939 0.4218 0.5047 0.057 Uiso 1 1 calc R U
C4 C 0.6574(12) 0.4929(9) 0.6244(8) 0.051(2) Uani 1 1 d . .
H4A H 0.6012 0.4212 0.6396 0.062 Uiso 1 1 calc R U
C5 C 0.6489(11) 0.6137(9) 0.6751(7) 0.046(2) Uani 1 1 d . .
H5A H 0.5832 0.6400 0.7299 0.056 Uiso 1 1 calc R U
C6 C 1.1136(13) 0.7026(9) 0.8110(8) 0.053(3) Uani 1 1 d . .
H6A H 1.1251 0.7906 0.8351 0.064 Uiso 1 1 calc R U
C7 C 1.1952(12) 0.6375(9) 0.7361(8) 0.050(2) Uani 1 1 d . .
H7A H 1.2735 0.6720 0.6975 0.059 Uiso 1 1 calc R U
C8 C 1.1471(13) 0.5148(9) 0.7263(8) 0.053(2) Uani 1 1 d . .
H8A H 1.1850 0.4489 0.6786 0.064 Uiso 1 1 calc R U
C9 C 1.0342(14) 0.5010(11) 0.7917(9) 0.062(3) Uani 1 1 d . .
H9A H 0.9805 0.4244 0.8003 0.074 Uiso 1 1 calc R U
C10 C 1.0122(14) 0.6175(13) 0.8459(7) 0.069(4) Uani 1 1 d . .
H10A H 0.9408 0.6360 0.8990 0.083 Uiso 1 1 calc R U
C11 C 0.5117(11) 1.1289(8) 0.7761(6) 0.0378(19) Uani 1 1 d . .
C12 C 0.6633(11) 1.1613(9) 0.8620(7) 0.049(2) Uani 1 1 d . .
H12A H 0.7238 1.1061 0.8950 0.059 Uiso 1 1 calc R U
C13 C 0.7123(13) 1.2888(10) 0.8901(7) 0.056(3) Uani 1 1 d . .
H13A H 0.8114 1.3372 0.9474 0.067 Uiso 1 1 calc R U
C14 C 0.5931(13) 1.3340(9) 0.8239(7) 0.051(2) Uani 1 1 d . .
H14A H 0.5946 1.4193 0.8271 0.062 Uiso 1 1 calc R U
C15 C 0.4679(12) 1.2360(8) 0.7525(6) 0.042(2) Uani 1 1 d . .
H15A H 0.3691 1.2410 0.6970 0.051 Uiso 1 1 calc R U
C16 C 0.2365(16) 1.1525(12) 0.9421(9) 0.071(3) Uani 1 1 d . .
H16A H 0.1810 1.0673 0.9125 0.085 Uiso 1 1 calc R U
C17 C 0.3872(16) 1.1979(12) 1.0252(8) 0.064(3) Uani 1 1 d . .
H17A H 0.4552 1.1512 1.0647 0.077 Uiso 1 1 calc R U
C18 C 0.4221(14) 1.3243(11) 1.0420(7) 0.058(3) Uani 1 1 d . .
H18A H 0.5195 1.3810 1.0955 0.069 Uiso 1 1 calc R U
C19 C 0.2926(14) 1.3547(11) 0.9687(8) 0.057(3) Uani 1 1 d . .
H19A H 0.2840 1.4361 0.9625 0.068 Uiso 1 1 calc R U
C20 C 0.1784(13) 1.2490(12) 0.9073(8) 0.063(3) Uani 1 1 d . .
H20A H 0.0753 1.2428 0.8501 0.076 Uiso 1 1 calc R U
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
Cu I Cu 64.34(4) . 2_776
C1 Te1 C21 96.3(3) . .
C1 Te1 Cu 110.4(2) . .
C21 Te1 Cu 103.3(3) . .
C11 Te2 C21 94.4(3) . .
C11 Te2 Cu 111.3(2) . 1_455
C21 Te2 Cu 106.5(2) . 1_455
Te2 Cu I 104.59(4) 1_655 .
Te2 Cu Te1 102.73(4) 1_655 .
I Cu Te1 118.14(4) . .
Te2 Cu I 119.35(4) 1_655 2_776
I Cu I 115.67(4) . 2_776
Te1 Cu I 96.24(4) . 2_776
Te2 Cu Cu 134.27(6) 1_655 2_776
I Cu Cu 58.34(4) . 2_776
Te1 Cu Cu 122.89(6) . 2_776
I Cu Cu 57.32(4) 2_776 2_776
C10 Fe1 C5 106.7(4) . .
C10 Fe1 C1 125.0(4) . .
C5 Fe1 C1 41.4(3) . .
C10 Fe1 C9 40.9(5) . .
C5 Fe1 C9 124.0(4) . .
C1 Fe1 C9 161.9(4) . .
C10 Fe1 C6 40.8(5) . .
C5 Fe1 C6 121.0(4) . .
C1 Fe1 C6 108.1(4) . .
C9 Fe1 C6 68.5(4) . .
C10 Fe1 C7 67.7(4) . .
C5 Fe1 C7 156.9(4) . .
C1 Fe1 C7 122.1(4) . .
C9 Fe1 C7 67.4(4) . .
C6 Fe1 C7 40.1(4) . .
C10 Fe1 C2 162.6(5) . .
C5 Fe1 C2 68.5(4) . .
C1 Fe1 C2 40.5(3) . .
C9 Fe1 C2 155.6(4) . .
C6 Fe1 C2 126.2(4) . .
C7 Fe1 C2 109.8(4) . .
C10 Fe1 C8 67.2(4) . .
C5 Fe1 C8 160.5(4) . .
C1 Fe1 C8 157.3(4) . .
C9 Fe1 C8 39.4(4) . .
C6 Fe1 C8 67.4(4) . .
C7 Fe1 C8 40.0(4) . .
C2 Fe1 C8 122.8(4) . .
C10 Fe1 C4 120.1(5) . .
C5 Fe1 C4 40.7(4) . .
C1 Fe1 C4 68.7(4) . .
C9 Fe1 C4 106.8(4) . .
C6 Fe1 C4 155.9(4) . .
C7 Fe1 C4 161.8(4) . .
C2 Fe1 C4 67.8(4) . .
C8 Fe1 C4 124.8(4) . .
C10 Fe1 C3 154.8(5) . .
C5 Fe1 C3 68.3(4) . .
C1 Fe1 C3 68.6(4) . .
C9 Fe1 C3 119.9(4) . .
C6 Fe1 C3 163.0(4) . .
C7 Fe1 C3 126.4(4) . .
C2 Fe1 C3 40.7(4) . .
C8 Fe1 C3 108.8(4) . .
C4 Fe1 C3 40.0(4) . .
C11 Fe2 C12 41.1(3) . .
C11 Fe2 C19 154.9(4) . .
C12 Fe2 C19 161.8(4) . .
C11 Fe2 C18 163.9(4) . .
C12 Fe2 C18 125.4(4) . .
C19 Fe2 C18 40.5(4) . .
C11 Fe2 C20 121.9(4) . .
C12 Fe2 C20 157.1(5) . .
C19 Fe2 C20 40.0(5) . .
C18 Fe2 C20 67.6(4) . .
C11 Fe2 C16 110.4(4) . .
C12 Fe2 C16 122.3(5) . .
C19 Fe2 C16 67.6(5) . .
C18 Fe2 C16 67.4(5) . .
C20 Fe2 C16 40.4(5) . .
C11 Fe2 C15 41.0(4) . .
C12 Fe2 C15 69.0(4) . .
C19 Fe2 C15 119.0(4) . .
C18 Fe2 C15 153.1(4) . .
C20 Fe2 C15 108.2(4) . .
C16 Fe2 C15 127.7(4) . .
C11 Fe2 C13 68.3(4) . .
C12 Fe2 C13 40.8(4) . .
C19 Fe2 C13 124.1(5) . .
C18 Fe2 C13 106.9(4) . .
C20 Fe2 C13 161.0(5) . .
C16 Fe2 C13 156.2(5) . .
C15 Fe2 C13 68.0(4) . .
C11 Fe2 C17 127.5(4) . .
C12 Fe2 C17 108.5(4) . .
C19 Fe2 C17 68.2(5) . .
C18 Fe2 C17 40.6(5) . .
C20 Fe2 C17 67.9(4) . .
C16 Fe2 C17 40.0(5) . .
C15 Fe2 C17 164.8(5) . .
C13 Fe2 C17 120.6(5) . .
C11 Fe2 C14 68.3(4) . .
C12 Fe2 C14 68.4(4) . .
C19 Fe2 C14 106.2(4) . .
C18 Fe2 C14 118.6(4) . .
C20 Fe2 C14 125.1(5) . .
C16 Fe2 C14 163.5(5) . .
C15 Fe2 C14 40.5(4) . .
C13 Fe2 C14 40.0(4) . .
C17 Fe2 C14 153.8(5) . .
Te2 C21 Te1 111.8(4) . .
Te2 C21 H21A 109.2 . .
Te1 C21 H21A 109.2 . .
Te2 C21 H21B 109.2 . .
Te1 C21 H21B 109.2 . .
H21A C21 H21B 107.9 . .
C2 C1 C5 107.4(8) . .
C2 C1 Fe1 70.4(5) . .
C5 C1 Fe1 69.2(5) . .
C2 C1 Te1 125.8(6) . .
C5 C1 Te1 126.5(7) . .
Fe1 C1 Te1 120.9(4) . .
C1 C2 C3 108.7(8) . .
C1 C2 Fe1 69.1(5) . .
C3 C2 Fe1 70.5(5) . .
C1 C2 H2A 125.6 . .
C3 C2 H2A 125.6 . .
Fe1 C2 H2A 125.6 . .
C4 C3 C2 107.3(8) . .
C4 C3 Fe1 69.4(5) . .
C2 C3 Fe1 68.9(5) . .
C4 C3 H3A 126.3 . .
C2 C3 H3A 126.3 . .
Fe1 C3 H3A 126.3 . .
C3 C4 C5 108.8(8) . .
C3 C4 Fe1 70.6(5) . .
C5 C4 Fe1 68.7(5) . .
C3 C4 H4A 125.6 . .
C5 C4 H4A 125.6 . .
Fe1 C4 H4A 125.6 . .
C4 C5 C1 107.8(8) . .
C4 C5 Fe1 70.6(5) . .
C1 C5 Fe1 69.4(5) . .
C4 C5 H5A 126.1 . .
C1 C5 H5A 126.1 . .
Fe1 C5 H5A 126.1 . .
C7 C6 C10 106.9(9) . .
C7 C6 Fe1 69.9(5) . .
C10 C6 Fe1 68.9(6) . .
C7 C6 H6A 126.5 . .
C10 C6 H6A 126.5 . .
Fe1 C6 H6A 126.5 . .
C8 C7 C6 108.3(9) . .
C8 C7 Fe1 70.3(5) . .
C6 C7 Fe1 69.9(5) . .
C8 C7 H7A 125.9 . .
C6 C7 H7A 125.9 . .
Fe1 C7 H7A 125.9 . .
C9 C8 C7 109.2(10) . .
C9 C8 Fe1 69.8(5) . .
C7 C8 Fe1 69.7(5) . .
C9 C8 H8A 125.4 . .
C7 C8 H8A 125.4 . .
Fe1 C8 H8A 125.4 . .
C8 C9 C10 107.5(10) . .
C8 C9 Fe1 70.9(6) . .
C10 C9 Fe1 69.1(5) . .
C8 C9 H9A 126.2 . .
C10 C9 H9A 126.2 . .
Fe1 C9 H9A 126.2 . .
C6 C10 C9 108.0(9) . .
C6 C10 Fe1 70.3(5) . .
C9 C10 Fe1 70.0(6) . .
C6 C10 H10A 126.0 . .
C9 C10 H10A 126.0 . .
Fe1 C10 H10A 126.0 . .
C15 C11 C12 108.3(8) . .
C15 C11 Fe2 70.2(5) . .
C12 C11 Fe2 69.8(5) . .
C15 C11 Te2 125.5(6) . .
C12 C11 Te2 126.1(7) . .
Fe2 C11 Te2 122.9(4) . .
C13 C12 C11 107.0(9) . .
C13 C12 Fe2 70.1(5) . .
C11 C12 Fe2 69.2(5) . .
C13 C12 H12A 126.5 . .
C11 C12 H12A 126.5 . .
Fe2 C12 H12A 126.5 . .
C14 C13 C12 108.8(8) . .
C14 C13 Fe2 70.1(5) . .
C12 C13 Fe2 69.1(5) . .
C14 C13 H13A 125.6 . .
C12 C13 H13A 125.6 . .
Fe2 C13 H13A 125.6 . .
C13 C14 C15 108.6(9) . .
C13 C14 Fe2 69.9(6) . .
C15 C14 Fe2 69.5(5) . .
C13 C14 H14A 125.7 . .
C15 C14 H14A 125.7 . .
Fe2 C14 H14A 125.7 . .
C14 C15 C11 107.3(8) . .
C14 C15 Fe2 70.0(5) . .
C11 C15 Fe2 68.9(5) . .
C14 C15 H15A 126.3 . .
C11 C15 H15A 126.3 . .
Fe2 C15 H15A 126.3 . .
C17 C16 C20 108.8(11) . .
C17 C16 Fe2 70.3(6) . .
C20 C16 Fe2 69.7(6) . .
C17 C16 H16A 125.6 . .
C20 C16 H16A 125.6 . .
Fe2 C16 H16A 125.6 . .
C16 C17 C18 107.0(10) . .
C16 C17 Fe2 69.7(6) . .
C18 C17 Fe2 69.2(6) . .
C16 C17 H17A 126.5 . .
C18 C17 H17A 126.5 . .
Fe2 C17 H17A 126.5 . .
C19 C18 C17 108.2(10) . .
C19 C18 Fe2 69.7(5) . .
C17 C18 Fe2 70.2(6) . .
C19 C18 H18A 125.9 . .
C17 C18 H18A 125.9 . .
Fe2 C18 H18A 125.9 . .
C20 C19 C18 108.0(11) . .
C20 C19 Fe2 70.2(6) . .
C18 C19 Fe2 69.8(6) . .
C20 C19 H19A 126.0 . .
C18 C19 H19A 126.0 . .
Fe2 C19 H19A 126.0 . .
C19 C20 C16 108.0(10) . .
C19 C20 Fe2 69.9(6) . .
C16 C20 Fe2 69.9(6) . .
C19 C20 H20A 126.0 . .
C16 C20 H20A 126.0 . .
Fe2 C20 H20A 126.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I Cu 2.6193(12) .
I Cu 2.6488(12) 2_776
Te1 C1 2.095(9) .
Te1 C21 2.156(8) .
Te1 Cu 2.6329(13) .
Te2 C11 2.093(8) .
Te2 C21 2.156(9) .
Te2 Cu 2.6030(11) 1_455
Cu Te2 2.6030(11) 1_655
Cu I 2.6488(12) 2_776
Cu Cu 2.805(2) 2_776
Fe1 C10 2.018(9) .
Fe1 C5 2.023(9) .
Fe1 C1 2.026(8) .
Fe1 C9 2.030(9) .
Fe1 C6 2.037(9) .
Fe1 C7 2.037(9) .
Fe1 C2 2.043(8) .
Fe1 C8 2.044(9) .
Fe1 C4 2.049(9) .
Fe1 C3 2.065(9) .
Fe2 C11 2.022(8) .
Fe2 C12 2.030(9) .
Fe2 C19 2.032(10) .
Fe2 C18 2.033(9) .
Fe2 C20 2.036(9) .
Fe2 C16 2.038(11) .
Fe2 C15 2.040(8) .
Fe2 C13 2.044(9) .
Fe2 C17 2.046(10) .
Fe2 C14 2.047(10) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C1 C2 1.409(12) .
C1 C5 1.430(12) .
C2 C3 1.427(13) .
C2 H2A 0.9800 .
C3 C4 1.408(14) .
C3 H3A 0.9800 .
C4 C5 1.415(14) .
C4 H4A 0.9800 .
C5 H5A 0.9800 .
C6 C7 1.398(14) .
C6 C10 1.413(16) .
C6 H6A 0.9800 .
C7 C8 1.397(14) .
C7 H7A 0.9800 .
C8 C9 1.372(15) .
C8 H8A 0.9800 .
C9 C10 1.415(17) .
C9 H9A 0.9800 .
C10 H10A 0.9800 .
C11 C15 1.421(13) .
C11 C12 1.421(12) .
C12 C13 1.419(15) .
C12 H12A 0.9800 .
C13 C14 1.398(15) .
C13 H13A 0.9800 .
C14 C15 1.415(13) .
C14 H14A 0.9800 .
C15 H15A 0.9800 .
C16 C17 1.398(16) .
C16 C20 1.408(17) .
C16 H16A 0.9800 .
C17 C18 1.414(16) .
C17 H17A 0.9800 .
C18 C19 1.408(14) .
C18 H18A 0.9800 .
C19 C20 1.390(16) .
C19 H19A 0.9800 .
C20 H20A 0.9800 .
