#------------------------------------------------------------------------------
#$Date: 2017-05-06 00:59:54 +0300 (Sat, 06 May 2017) $
#$Revision: 196398 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/16/7041687.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_7041687
loop_
_publ_author_name
'Han, Haixiang'
'Wei, Zheng'
'Barry, Matthew C.'
'Filatov, Alexander S.'
'Dikarev, Evgeny V.'
_publ_section_title
;
 Heterometallic molecular precursors for a lithium-iron oxide material:
 synthesis, solid state structure, solution and gas-phase behaviour, and
 thermal decomposition.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5644
_journal_page_last               5649
_journal_paper_doi               10.1039/c6dt04602a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C48 H60 F18 Fe2 Li2 O12'
_chemical_formula_sum            'C48 H60 F18 Fe2 Li2 O12'
_chemical_formula_weight         1296.54
_chemical_name_systematic
; 
 ? 
;
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-11-21 deposited with the CCDC.
2017-01-13 downloaded from the CCDC.
;
_cell_angle_alpha                91.399(2)
_cell_angle_beta                 113.519(2)
_cell_angle_gamma                100.038(2)
_cell_formula_units_Z            1
_cell_length_a                   11.3877(11)
_cell_length_b                   11.8362(11)
_cell_length_c                   11.9720(11)
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.68
_cell_measurement_theta_min      2.87
_cell_volume                     1449.1(2)
_computing_cell_refinement       'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_data_collection       'APEX2 v.2016.1-0 (Bruker AXS Inc., 2016)'
_computing_data_reduction        'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_molecular_graphics    'SHELXTL Ver. 6.14'
_computing_publication_material  'SHELXTL Ver. 6.14'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture PHOTON 100 CMOS'
_diffrn_measurement_method       'omega and phi scans'
_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  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_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            70343
_diffrn_reflns_theta_full        28.69
_diffrn_reflns_theta_max         28.69
_diffrn_reflns_theta_min         3.24
_exptl_absorpt_coefficient_mu    0.614
_exptl_absorpt_correction_T_max  0.9526
_exptl_absorpt_correction_T_min  0.8976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS V2012/1 (Bruker AXS Inc.)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       needle
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.784
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.085
_refine_ls_extinction_coef       noref
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         7452
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0463P)²+2.5546P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1104
_refine_ls_wR_factor_ref         0.1189
_reflns_number_gt                6219
_reflns_number_total             7452
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt04602a2.cif
_cod_data_source_block           LiFeptac3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7041683--7041687.cif.
;
_cod_database_code               7041687
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
Li1 Li 0.9274(4) 0.1467(3) 0.8579(4) 0.0172(7) Uani 1 1 d . . .
Fe1 Fe 1.09777(3) 0.10999(3) 1.11342(3) 0.01192(9) Uani 1 1 d . . .
O1 O 1.29417(15) 0.16898(14) 1.18347(14) 0.0172(3) Uani 1 1 d . A .
O2 O 1.08719(15) 0.22608(13) 0.98750(14) 0.0137(3) Uani 1 1 d . A .
O3 O 0.89081(14) 0.04911(13) 0.98844(13) 0.0124(3) Uani 1 1 d . . .
O4 O 0.78481(16) 0.21552(14) 0.81368(15) 0.0190(3) Uani 1 1 d . . .
O5 O 0.89683(15) 0.00359(13) 0.76009(13) 0.0144(3) Uani 1 1 d . . .
O6 O 0.92706(16) -0.22591(14) 0.77172(14) 0.0176(3) Uani 1 1 d . . .
C2 C 1.1789(2) 0.31082(19) 0.9981(2) 0.0154(4) Uani 1 1 d . . .
C3 C 1.3069(2) 0.3330(2) 1.0795(2) 0.0183(4) Uani 1 1 d . A .
H3 H 1.3622 0.4017 1.0761 0.022 Uiso 1 1 calc R . .
C4 C 1.3618(2) 0.25837(19) 1.1695(2) 0.0146(4) Uani 1 1 d . . .
C5 C 1.5071(2) 0.2822(2) 1.2539(2) 0.0176(4) Uani 1 1 d . A .
C6 C 1.5852(2) 0.3900(2) 1.2301(3) 0.0293(6) Uani 1 1 d . . .
H6A H 1.5511 0.4576 1.2425 0.044 Uiso 1 1 calc R A .
H6B H 1.5774 0.3817 1.1456 0.044 Uiso 1 1 calc R . .
H6C H 1.6774 0.4001 1.2868 0.044 Uiso 1 1 calc R . .
C7 C 1.5603(3) 0.1774(2) 1.2330(3) 0.0340(7) Uani 1 1 d . . .
H7A H 1.5506 0.1691 1.1479 0.051 Uiso 1 1 calc R A .
H7B H 1.5115 0.1078 1.2494 0.051 Uiso 1 1 calc R . .
H7C H 1.6530 0.1880 1.2883 0.051 Uiso 1 1 calc R . .
C8 C 1.5194(3) 0.2947(3) 1.3854(2) 0.0406(8) Uani 1 1 d . . .
H8A H 1.6117 0.3059 1.4420 0.061 Uiso 1 1 calc R A .
H8B H 1.4704 0.2248 1.4009 0.061 Uiso 1 1 calc R . .
H8C H 1.4840 0.3614 1.3977 0.061 Uiso 1 1 calc R . .
C9 C 0.7648(2) 0.00051(19) 1.1064(2) 0.0149(4) Uani 1 1 d . . .
C10 C 0.7855(2) 0.06211(18) 1.00253(19) 0.0127(4) Uani 1 1 d . . .
C11 C 0.6939(2) 0.12371(19) 0.9421(2) 0.0160(4) Uani 1 1 d . . .
H11 H 0.6213 0.1174 0.9634 0.019 Uiso 1 1 calc R . .
C12 C 0.6952(2) 0.19884(19) 0.84758(19) 0.0152(4) Uani 1 1 d . . .
C13 C 0.5771(2) 0.2551(2) 0.7849(2) 0.0184(4) Uani 1 1 d . . .
C14 C 0.5282(3) 0.3007(2) 0.8758(3) 0.0270(5) Uani 1 1 d . . .
H14A H 0.6006 0.3530 0.9412 0.040 Uiso 1 1 calc R . .
H14B H 0.4943 0.2359 0.9111 0.040 Uiso 1 1 calc R . .
H14C H 0.4585 0.3424 0.8331 0.040 Uiso 1 1 calc R . .
C15 C 0.4703(3) 0.1606(2) 0.6920(3) 0.0308(6) Uani 1 1 d . . .
H15A H 0.3930 0.1926 0.6464 0.046 Uiso 1 1 calc R . .
H15B H 0.4469 0.0973 0.7353 0.046 Uiso 1 1 calc R . .
H15C H 0.5029 0.1314 0.6348 0.046 Uiso 1 1 calc R . .
C16 C 0.6150(3) 0.3543(2) 0.7187(2) 0.0265(5) Uani 1 1 d . . .
H16A H 0.6821 0.4148 0.7789 0.040 Uiso 1 1 calc R . .
H16B H 0.5378 0.3861 0.6720 0.040 Uiso 1 1 calc R . .
H16C H 0.6493 0.3257 0.6628 0.040 Uiso 1 1 calc R . .
C17 C 0.8243(3) 0.0672(2) 0.5647(2) 0.0251(5) Uani 1 1 d . . .
C18 C 0.8675(2) -0.02765(19) 0.64681(19) 0.0149(4) Uani 1 1 d . . .
C19 C 0.8670(2) -0.1307(2) 0.5938(2) 0.0176(4) Uani 1 1 d . . .
H19 H 0.8439 -0.1386 0.5081 0.021 Uiso 1 1 calc R . .
C20 C 0.8996(2) -0.22806(19) 0.6601(2) 0.0148(4) Uani 1 1 d . . .
C21 C 0.9048(2) -0.3395(2) 0.5962(2) 0.0185(4) Uani 1 1 d . . .
C22 C 0.8451(3) -0.3444(3) 0.4563(2) 0.0326(6) Uani 1 1 d . . .
H22A H 0.8497 -0.4183 0.4212 0.049 Uiso 1 1 calc R . .
H22B H 0.8940 -0.2812 0.4310 0.049 Uiso 1 1 calc R . .
H22C H 0.7536 -0.3367 0.4270 0.049 Uiso 1 1 calc R . .
C23 C 0.8338(3) -0.4412(2) 0.6360(3) 0.0369(7) Uani 1 1 d . . .
H23A H 0.7411 -0.4376 0.6068 0.055 Uiso 1 1 calc R . .
H23B H 0.8724 -0.4377 0.7256 0.055 Uiso 1 1 calc R . .
H23C H 0.8423 -0.5135 0.6012 0.055 Uiso 1 1 calc R . .
C24 C 1.0498(3) -0.3449(3) 0.6414(3) 0.0340(6) Uani 1 1 d . . .
H24A H 1.0582 -0.4171 0.6062 0.051 Uiso 1 1 calc R . .
H24B H 1.0886 -0.3418 0.7309 0.051 Uiso 1 1 calc R . .
H24C H 1.0952 -0.2794 0.6159 0.051 Uiso 1 1 calc R . .
F4 F 0.63881(14) -0.02744(14) 1.08751(14) 0.0282(3) Uani 1 1 d . . .
F5 F 0.81046(16) -0.09609(13) 1.12403(15) 0.0291(4) Uani 1 1 d . . .
F6 F 0.82512(16) 0.06732(14) 1.21225(13) 0.0291(3) Uani 1 1 d . . .
F7 F 0.70213(18) 0.07527(16) 0.54564(16) 0.0412(4) Uani 1 1 d . . .
F8 F 0.8261(2) 0.05040(15) 0.45536(14) 0.0422(5) Uani 1 1 d . . .
F9 F 0.8990(2) 0.16966(14) 0.61738(15) 0.0408(4) Uani 1 1 d . . .
C1 C 1.1332(3) 0.3963(2) 0.9038(2) 0.0250(5) Uani 1 1 d D A 1
F1 F 1.0748(7) 0.4680(5) 0.9405(5) 0.0185(10) Uiso 0.34 1 d PD A 1
F2 F 1.2315(4) 0.4627(5) 0.8849(5) 0.0126(7) Uiso 0.34 1 d PD A 1
F3 F 1.0488(9) 0.3313(7) 0.7930(7) 0.0306(11) Uiso 0.34 1 d PD A 1
F1X F 1.0349(7) 0.4416(6) 0.9222(6) 0.043(2) Uiso 0.34 1 d PD A 2
F2X F 1.2161(5) 0.4891(5) 0.9132(5) 0.0306(11) Uiso 0.34 1 d PD A 2
F3X F 1.0715(7) 0.3446(6) 0.7921(6) 0.0295(17) Uiso 0.34 1 d PD A 2
F1Y F 1.1241(9) 0.4909(7) 0.9487(7) 0.057(2) Uiso 0.32 1 d PD A 3
F2Y F 1.2325(6) 0.4321(6) 0.8605(6) 0.0335(16) Uiso 0.32 1 d PD A 3
F3Y F 1.0321(5) 0.3553(4) 0.8060(4) 0.0126(7) Uiso 0.32 1 d PD A 3
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'
Li Li -0.0003 0.0001 '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
O4 Li1 O2 117.6(2) . .
O4 Li1 O5 114.2(2) . .
O2 Li1 O5 128.2(2) . .
O4 Li1 O3 97.14(18) . .
O2 Li1 O3 87.88(16) . .
O5 Li1 O3 88.12(16) . .
O4 Li1 Fe1 121.16(18) . 2_757
O2 Li1 Fe1 107.93(16) . 2_757
O5 Li1 Fe1 41.31(9) . 2_757
O3 Li1 Fe1 48.21(9) . 2_757
O1 Fe1 O5 95.34(6) . 2_757
O1 Fe1 O2 86.03(6) . .
O5 Fe1 O2 177.96(6) 2_757 .
O1 Fe1 O6 92.83(7) . 2_757
O5 Fe1 O6 86.28(6) 2_757 2_757
O2 Fe1 O6 92.14(6) . 2_757
O1 Fe1 O3 163.86(6) . .
O5 Fe1 O3 97.00(6) 2_757 .
O2 Fe1 O3 81.93(6) . .
O6 Fe1 O3 98.30(6) 2_757 .
O1 Fe1 O3 92.79(6) . 2_757
O5 Fe1 O3 80.99(6) 2_757 2_757
O2 Fe1 O3 100.48(6) . 2_757
O6 Fe1 O3 166.51(6) 2_757 2_757
O3 Fe1 O3 78.95(6) . 2_757
O1 Fe1 Li1 103.19(9) . 2_757
O5 Fe1 Li1 38.71(9) 2_757 2_757
O2 Fe1 Li1 142.39(9) . 2_757
O6 Fe1 Li1 123.11(9) 2_757 2_757
O3 Fe1 Li1 80.43(8) . 2_757
O3 Fe1 Li1 43.52(8) 2_757 2_757
C4 O1 Fe1 131.60(15) . .
C2 O2 Li1 136.17(18) . .
C2 O2 Fe1 124.94(14) . .
Li1 O2 Fe1 97.79(13) . .
C10 O3 Li1 114.33(17) . .
C10 O3 Fe1 129.30(13) . .
Li1 O3 Fe1 88.07(12) . .
C10 O3 Fe1 123.22(13) . 2_757
Li1 O3 Fe1 88.28(12) . 2_757
Fe1 O3 Fe1 101.05(6) . 2_757
C12 O4 Li1 128.59(19) . .
C18 O5 Li1 136.26(18) . .
C18 O5 Fe1 123.44(14) . 2_757
Li1 O5 Fe1 99.99(13) . 2_757
C20 O6 Fe1 130.13(15) . 2_757
O2 C2 C3 129.1(2) . .
O2 C2 C1 112.73(19) . .
C3 C2 C1 118.2(2) . .
C2 C3 C4 123.3(2) . .
C2 C3 H3 118.3 . .
C4 C3 H3 118.3 . .
O1 C4 C3 122.2(2) . .
O1 C4 C5 115.94(19) . .
C3 C4 C5 121.90(19) . .
C8 C5 C4 107.6(2) . .
C8 C5 C6 109.6(2) . .
C4 C5 C6 113.59(19) . .
C8 C5 C7 110.0(2) . .
C4 C5 C7 107.00(19) . .
C6 C5 C7 108.9(2) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
F5 C9 F6 106.65(18) . .
F5 C9 F4 106.66(18) . .
F6 C9 F4 106.12(18) . .
F5 C9 C10 112.99(18) . .
F6 C9 C10 111.10(18) . .
F4 C9 C10 112.86(18) . .
O3 C10 C11 130.2(2) . .
O3 C10 C9 114.80(18) . .
C11 C10 C9 114.95(19) . .
C10 C11 C12 126.8(2) . .
C10 C11 H11 116.6 . .
C12 C11 H11 116.6 . .
O4 C12 C11 122.7(2) . .
O4 C12 C13 119.0(2) . .
C11 C12 C13 118.33(19) . .
C16 C13 C14 109.5(2) . .
C16 C13 C12 108.93(19) . .
C14 C13 C12 112.37(19) . .
C16 C13 C15 110.1(2) . .
C14 C13 C15 110.1(2) . .
C12 C13 C15 105.79(19) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
F8 C17 F9 107.9(2) . .
F8 C17 F7 107.0(2) . .
F9 C17 F7 106.3(2) . .
F8 C17 C18 113.7(2) . .
F9 C17 C18 111.1(2) . .
F7 C17 C18 110.5(2) . .
O5 C18 C19 129.3(2) . .
O5 C18 C17 112.35(19) . .
C19 C18 C17 118.4(2) . .
C18 C19 C20 123.6(2) . .
C18 C19 H19 118.2 . .
C20 C19 H19 118.2 . .
O6 C20 C19 122.2(2) . .
O6 C20 C21 116.8(2) . .
C19 C20 C21 121.0(2) . .
C23 C21 C20 108.4(2) . .
C23 C21 C22 109.8(2) . .
C20 C21 C22 113.7(2) . .
C23 C21 C24 109.6(2) . .
C20 C21 C24 106.26(19) . .
C22 C21 C24 109.0(2) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
F1 C1 F2 106.5(4) . .
F1 C1 F3 111.9(5) . .
F2 C1 F3 107.7(5) . .
F1 C1 C2 110.4(3) . .
F2 C1 C2 113.5(3) . .
F3 C1 C2 106.9(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O4 1.838(4) .
Li1 O2 1.919(4) .
Li1 O5 1.932(4) .
Li1 O3 2.096(4) .
Li1 Fe1 3.043(4) 2_757
Fe1 O1 2.0305(16) .
Fe1 O5 2.0392(15) 2_757
Fe1 O2 2.0466(15) .
Fe1 O6 2.0511(16) 2_757
Fe1 O3 2.2030(15) .
Fe1 O3 2.2693(15) 2_757
Fe1 Li1 3.043(4) 2_757
O1 C4 1.252(3) .
O2 C2 1.279(3) .
O3 C10 1.310(3) .
O3 Fe1 2.2694(15) 2_757
O4 C12 1.229(3) .
O5 C18 1.288(3) .
O5 Fe1 2.0392(15) 2_757
O6 C20 1.243(3) .
O6 Fe1 2.0511(16) 2_757
C2 C3 1.365(3) .
C2 C1 1.530(3) .
C3 C4 1.426(3) .
C3 H3 0.9500 .
C4 C5 1.525(3) .
C5 C8 1.524(4) .
C5 C6 1.526(3) .
C5 C7 1.528(3) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 F5 1.324(3) .
C9 F6 1.330(3) .
C9 F4 1.339(2) .
C9 C10 1.534(3) .
C10 C11 1.353(3) .
C11 C12 1.459(3) .
C11 H11 0.9500 .
C12 C13 1.532(3) .
C13 C16 1.529(3) .
C13 C14 1.530(3) .
C13 C15 1.534(4) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 F8 1.328(3) .
C17 F9 1.330(3) .
C17 F7 1.338(3) .
C17 C18 1.526(3) .
C18 C19 1.360(3) .
C19 C20 1.433(3) .
C19 H19 0.9500 .
C20 C21 1.530(3) .
C21 C23 1.525(4) .
C21 C22 1.531(3) .
C21 C24 1.533(3) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C1 F1 1.329(5) .
C1 F2 1.351(5) .
C1 F3 1.396(7) .
