#------------------------------------------------------------------------------
#$Date: 2023-05-05 04:11:14 +0300 (Fri, 05 May 2023) $
#$Revision: 283184 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/87/1568708.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_1568708
loop_
_publ_author_name
'Kamin, Ashlyn A.'
'Moseley, Ian P.'
'Oh, Jeewhan'
'Brannan, E. J.'
'Gannon, Paige M.'
'Kaminsky, Werner'
'Zadrozny, Joseph M.'
'Xiao, Dianne J.'
_publ_section_title
;
 Geometry-dependent valence tautomerism, magnetism, and electrical
 conductivity in 1D iron-tetraoxolene chains.
;
_journal_issue                   15
_journal_name_full               'Chemical science'
_journal_page_first              4083
_journal_page_last               4090
_journal_paper_doi               10.1039/d2sc06392a
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C26 H28 Fe N2 O6'
_chemical_formula_sum            'C26 H28 Fe N2 O6'
_chemical_formula_weight         520.35
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_creation_date             2022-07-12T12:37:02-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2022-10-28 deposited with the CCDC.	2023-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.645(4)
_cell_angle_beta                 93.670(3)
_cell_angle_gamma                90.906(4)
_cell_formula_units_Z            2
_cell_length_a                   7.9614(8)
_cell_length_b                   12.0601(12)
_cell_length_c                   13.2291(13)
_cell_measurement_reflns_used    4005
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      27.03
_cell_measurement_theta_min      3.12
_cell_measurement_wavelength     0.7288
_cell_volume                     1267.3(2)
_computing_cell_refinement       'SAINT V8.40A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      250(2)
_diffrn_detector                 CCD
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'ALS-U Beamline 12.2.1'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7288
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5177
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.93
_diffrn_reflns_theta_max         27.154
_diffrn_reflns_theta_min         1.582
_diffrn_source                   'ALS-U Lawrence Berkeley National Laboratory'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.677
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       piece
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.251
_refine_diff_density_min         -0.294
_refine_diff_density_rms         0.049
_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_constraints    0
_refine_ls_number_parameters     326
_refine_ls_number_reflns         5177
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0600P)²+0.1156P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.0914
_reflns_Friedel_coverage         0
_reflns_number_gt                4479
_reflns_number_total             5177
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc06392a2.cif
_cod_data_source_block           AAK-4161-3_250K
_cod_depositor_comments
'Adding full bibliography for 1568706--1568710.cif.'
_cod_database_code               1568708
_shelx_estimated_absorpt_t_min   0.905
_shelx_estimated_absorpt_t_max   0.96
_shelx_shelxl_version_number     2014/7
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3429(2) -0.03232(14) -0.05096(12) 0.0297(3) Uani 1 1 d . . . . .
C2 C 0.3541(2) 0.03266(14) 0.04947(12) 0.0306(3) Uani 1 1 d . . . . .
C3 C 0.5108(2) 0.06097(14) 0.09754(12) 0.0307(3) Uani 1 1 d . . . . .
C4 C 0.5210(2) 0.12022(15) 0.19744(12) 0.0338(4) Uani 1 1 d . . . . .
C5 C 0.6056(3) 0.07455(18) 0.28127(15) 0.0478(5) Uani 1 1 d . . . . .
H5 H 0.6597 0.0063 0.2749 0.057 Uiso 1 1 calc R U . . .
C6 C 0.6112(3) 0.1284(2) 0.37446(16) 0.0624(6) Uani 1 1 d . . . . .
H6 H 0.6684 0.0965 0.431 0.075 Uiso 1 1 calc R U . . .
C7 C 0.5331(3) 0.2289(2) 0.38442(17) 0.0627(6) Uani 1 1 d . . . . .
H7 H 0.5375 0.2656 0.4476 0.075 Uiso 1 1 calc R U . . .
C8 C 0.4495(3) 0.27501(19) 0.30244(18) 0.0575(6) Uani 1 1 d . . . . .
H8 H 0.3958 0.3433 0.3093 0.069 Uiso 1 1 calc R U . . .
C9 C 0.4434(3) 0.22128(17) 0.20903(16) 0.0451(4) Uani 1 1 d . . . . .
H9 H 0.386 0.2538 0.1529 0.054 Uiso 1 1 calc R U . . .
C10 C 0.0494(3) 0.2502(2) -0.26673(17) 0.0628(6) Uani 1 1 d . . . . .
H10A H 0.0937 0.3057 -0.3109 0.094 Uiso 1 1 calc R U . . .
H10B H -0.0528 0.2173 -0.2988 0.094 Uiso 1 1 calc R U . . .
H10C H 0.1322 0.193 -0.2543 0.094 Uiso 1 1 calc R U . . .
C11 C -0.0146(4) 0.42189(19) -0.1729(2) 0.0681(7) Uani 1 1 d . . . . .
H11A H -0.1173 0.4386 -0.1406 0.102 Uiso 1 1 calc R U . . .
H11B H -0.0239 0.4467 -0.2425 0.102 Uiso 1 1 calc R U . . .
H11C H 0.0798 0.4597 -0.1367 0.102 Uiso 1 1 calc R U . . .
C12 C -0.0037(3) 0.24028(18) -0.09140(15) 0.0505(5) Uani 1 1 d . . . . .
C13 C -0.0319(5) 0.2948(2) 0.00900(19) 0.0813(9) Uani 1 1 d . . . . .
H13A H -0.037 0.2385 0.0606 0.122 Uiso 1 1 calc R U . . .
H13B H -0.137 0.3345 0.0039 0.122 Uiso 1 1 calc R U . . .
H13C H 0.0602 0.3463 0.0271 0.122 Uiso 1 1 calc R U . . .
C14 C 0.3447(2) 0.53004(14) 0.44843(12) 0.0298(3) Uani 1 1 d . . . . .
C15 C 0.3536(2) 0.47970(13) 0.55466(12) 0.0294(3) Uani 1 1 d . . . . .
C16 C 0.5080(2) 0.44714(14) 0.60104(12) 0.0301(3) Uani 1 1 d . . . . .
C17 C 0.5145(2) 0.39153(16) 0.70084(13) 0.0368(4) Uani 1 1 d . . . . .
C18 C 0.5832(3) 0.28668(18) 0.71089(17) 0.0524(5) Uani 1 1 d . . . . .
H18 H 0.6291 0.2527 0.6548 0.063 Uiso 1 1 calc R U . . .
C19 C 0.5852(3) 0.2313(2) 0.8024(2) 0.0713(7) Uani 1 1 d . . . . .
H19 H 0.6311 0.1601 0.8079 0.086 Uiso 1 1 calc R U . . .
C20 C 0.5198(3) 0.2809(3) 0.88494(19) 0.0783(8) Uani 1 1 d . . . . .
H20 H 0.521 0.2437 0.947 0.094 Uiso 1 1 calc R U . . .
C21 C 0.4530(3) 0.3844(3) 0.87665(17) 0.0723(7) Uani 1 1 d . . . . .
H21 H 0.4087 0.4181 0.9333 0.087 Uiso 1 1 calc R U . . .
C22 C 0.4499(3) 0.4403(2) 0.78499(14) 0.0517(5) Uani 1 1 d . . . . .
H22 H 0.4037 0.5115 0.7802 0.062 Uiso 1 1 calc R U . . .
C23 C 0.1578(4) 0.1335(2) 0.49291(19) 0.0750(7) Uani 1 1 d . . . . .
H23A H 0.1829 0.1998 0.5336 0.112 Uiso 1 1 calc R U . . .
H23B H 0.2613 0.0945 0.483 0.112 Uiso 1 1 calc R U . . .
H23C H 0.0815 0.0856 0.5273 0.112 Uiso 1 1 calc R U . . .
C24 C 0.0846(3) 0.0825(2) 0.31299(19) 0.0679(7) Uani 1 1 d . . . . .
H24A H -0.0162 0.0882 0.2683 0.102 Uiso 1 1 calc R U . . .
H24B H 0.0904 0.0086 0.341 0.102 Uiso 1 1 calc R U . . .
H24C H 0.1829 0.0966 0.2751 0.102 Uiso 1 1 calc R U . . .
C25 C 0.0182(3) 0.26510(18) 0.38478(15) 0.0470(5) Uani 1 1 d . . . . .
C26 C -0.0524(3) 0.3011(2) 0.28288(18) 0.0662(6) Uani 1 1 d . . . . .
H26A H -0.1211 0.3659 0.2908 0.099 Uiso 1 1 calc R U . . .
H26B H -0.1208 0.2414 0.2513 0.099 Uiso 1 1 calc R U . . .
H26C H 0.0392 0.3191 0.2406 0.099 Uiso 1 1 calc R U . . .
N1 N 0.0123(2) 0.30202(15) -0.17136(13) 0.0530(4) Uani 1 1 d . . . . .
N2 N 0.0798(2) 0.16422(15) 0.39535(13) 0.0520(4) Uani 1 1 d . . . . .
O1 O 0.19553(14) -0.05989(11) -0.08434(9) 0.0374(3) Uani 1 1 d . . . . .
O2 O 0.21505(14) 0.05725(11) 0.08410(9) 0.0398(3) Uani 1 1 d . . . . .
O3 O 0.0065(2) 0.13766(12) -0.09823(11) 0.0602(4) Uani 1 1 d . . . . .
O4 O 0.19828(15) 0.54705(11) 0.41034(9) 0.0399(3) Uani 1 1 d . . . . .
O5 O 0.21379(15) 0.47020(11) 0.59462(9) 0.0377(3) Uani 1 1 d . . . . .
O6 O 0.0199(2) 0.32903(13) 0.45888(12) 0.0583(4) Uani 1 1 d . . . . .
Fe1 Fe 0 0 0 0.03054(10) Uani 1 2 d S . P . .
Fe2 Fe 0 0.5 0.5 0.03339(10) Uani 1 2 d S . P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0037 0.0017 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.007 0.0034 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0123 0.0065 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3621 0.8896 '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
_geom_angle_publ_flag
O1 C1 C3 124.31(15) . 2_655 ?
O1 C1 C2 115.24(14) . . ?
C3 C1 C2 120.41(14) 2_655 . ?
O2 C2 C3 123.83(15) . . ?
O2 C2 C1 115.67(14) . . ?
C3 C2 C1 120.50(14) . . ?
C1 C3 C2 119.06(15) 2_655 . ?
C1 C3 C4 120.68(15) 2_655 . ?
C2 C3 C4 120.26(15) . . ?
C5 C4 C9 118.39(17) . . ?
C5 C4 C3 120.76(16) . . ?
C9 C4 C3 120.84(16) . . ?
C4 C5 C6 120.6(2) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C7 C6 C5 120.1(2) . . ?
C7 C6 H6 120 . . ?
C5 C6 H6 120 . . ?
C8 C7 C6 119.95(19) . . ?
C8 C7 H7 120 . . ?
C6 C7 H7 120 . . ?
C7 C8 C9 120.1(2) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C4 C9 C8 120.8(2) . . ?
C4 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C12 N1 120.2(2) . . ?
O3 C12 C13 120.3(2) . . ?
N1 C12 C13 119.5(2) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O4 C14 C16 123.90(16) . 2_666 ?
O4 C14 C15 115.27(14) . . ?
C16 C14 C15 120.83(14) 2_666 . ?
O5 C15 C16 124.21(15) . . ?
O5 C15 C14 115.16(14) . . ?
C16 C15 C14 120.63(14) . . ?
C15 C16 C14 118.34(15) . 2_666 ?
C15 C16 C17 120.41(15) . . ?
C14 C16 C17 121.24(15) 2_666 . ?
C22 C17 C18 118.29(17) . . ?
C22 C17 C16 121.72(17) . . ?
C18 C17 C16 119.97(17) . . ?
C19 C18 C17 121.1(2) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C20 C19 C18 119.8(2) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C21 C20 C19 120.0(2) . . ?
C21 C20 H20 120 . . ?
C19 C20 H20 120 . . ?
C20 C21 C22 120.6(2) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C17 C22 C21 120.3(2) . . ?
C17 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
N2 C23 H23A 109.5 . . ?
N2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N2 C24 H24A 109.5 . . ?
N2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O6 C25 N2 119.9(2) . . ?
O6 C25 C26 120.6(2) . . ?
N2 C25 C26 119.5(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C12 N1 C10 119.52(18) . . ?
C12 N1 C11 124.0(2) . . ?
C10 N1 C11 116.41(19) . . ?
C25 N2 C23 118.73(19) . . ?
C25 N2 C24 124.37(19) . . ?
C23 N2 C24 116.8(2) . . ?
C1 O1 Fe1 115.50(10) . . ?
C2 O2 Fe1 116.03(11) . . ?
C12 O3 Fe1 137.42(14) . . ?
C14 O4 Fe2 115.68(10) . . ?
C15 O5 Fe2 116.03(10) . . ?
C25 O6 Fe2 142.58(15) . . ?
O2 Fe1 O2 180 . 2 ?
O2 Fe1 O1 77.40(4) . . ?
O2 Fe1 O1 102.59(4) 2 . ?
O2 Fe1 O1 102.60(4) . 2 ?
O2 Fe1 O1 77.40(4) 2 2 ?
O1 Fe1 O1 180 . 2 ?
O2 Fe1 O3 88.33(6) . 2 ?
O2 Fe1 O3 91.67(6) 2 2 ?
O1 Fe1 O3 95.58(6) . 2 ?
O1 Fe1 O3 84.42(6) 2 2 ?
O2 Fe1 O3 91.67(6) . . ?
O2 Fe1 O3 88.33(6) 2 . ?
O1 Fe1 O3 84.42(6) . . ?
O1 Fe1 O3 95.58(6) 2 . ?
O3 Fe1 O3 180 2 . ?
O5 Fe2 O5 180 . 2_566 ?
O5 Fe2 O4 77.10(4) . . ?
O5 Fe2 O4 102.90(4) 2_566 . ?
O5 Fe2 O4 102.90(4) . 2_566 ?
O5 Fe2 O4 77.10(4) 2_566 2_566 ?
O4 Fe2 O4 180 . 2_566 ?
O5 Fe2 O6 84.08(6) . . ?
O5 Fe2 O6 95.92(6) 2_566 . ?
O4 Fe2 O6 92.31(6) . . ?
O4 Fe2 O6 87.69(6) 2_566 . ?
O5 Fe2 O6 95.92(6) . 2_566 ?
O5 Fe2 O6 84.08(6) 2_566 2_566 ?
O4 Fe2 O6 87.69(6) . 2_566 ?
O4 Fe2 O6 92.31(6) 2_566 2_566 ?
O6 Fe2 O6 180 . 2_566 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.265(2) . ?
C1 C3 1.398(2) 2_655 ?
C1 C2 1.532(2) . ?
C2 O2 1.263(2) . ?
C2 C3 1.399(2) . ?
C3 C1 1.398(2) 2_655 ?
C3 C4 1.492(2) . ?
C4 C5 1.384(3) . ?
C4 C9 1.387(3) . ?
C5 C6 1.385(3) . ?
C5 H5 0.94 . ?
C6 C7 1.380(4) . ?
C6 H6 0.94 . ?
C7 C8 1.364(4) . ?
C7 H7 0.94 . ?
C8 C9 1.387(3) . ?
C8 H8 0.94 . ?
C9 H9 0.94 . ?
C10 N1 1.451(3) . ?
C10 H10A 0.97 . ?
C10 H10B 0.97 . ?
C10 H10C 0.97 . ?
C11 N1 1.465(3) . ?
C11 H11A 0.97 . ?
C11 H11B 0.97 . ?
C11 H11C 0.97 . ?
C12 O3 1.244(3) . ?
C12 N1 1.312(3) . ?
C12 C13 1.506(3) . ?
C13 H13A 0.97 . ?
C13 H13B 0.97 . ?
C13 H13C 0.97 . ?
C14 O4 1.261(2) . ?
C14 C16 1.404(2) 2_666 ?
C14 C15 1.535(2) . ?
C15 O5 1.266(2) . ?
C15 C16 1.402(2) . ?
C16 C14 1.404(2) 2_666 ?
C16 C17 1.486(2) . ?
C17 C22 1.385(3) . ?
C17 C18 1.390(3) . ?
C18 C19 1.389(3) . ?
C18 H18 0.94 . ?
C19 C20 1.374(4) . ?
C19 H19 0.94 . ?
C20 C21 1.367(4) . ?
C20 H20 0.94 . ?
C21 C22 1.393(3) . ?
C21 H21 0.94 . ?
C22 H22 0.94 . ?
C23 N2 1.451(3) . ?
C23 H23A 0.97 . ?
C23 H23B 0.97 . ?
C23 H23C 0.97 . ?
C24 N2 1.464(3) . ?
C24 H24A 0.97 . ?
C24 H24B 0.97 . ?
C24 H24C 0.97 . ?
C25 O6 1.240(2) . ?
C25 N2 1.325(3) . ?
C25 C26 1.498(3) . ?
C26 H26A 0.97 . ?
C26 H26B 0.97 . ?
C26 H26C 0.97 . ?
O1 Fe1 2.1046(12) . ?
O2 Fe1 2.0850(12) . ?
O3 Fe1 2.1218(14) . ?
O4 Fe2 2.1089(12) . ?
O5 Fe2 2.0856(12) . ?
O6 Fe2 2.1374(15) . ?
Fe1 O2 2.0850(12) 2 ?
Fe1 O1 2.1046(12) 2 ?
Fe1 O3 2.1218(14) 2 ?
Fe2 O5 2.0856(12) 2_566 ?
Fe2 O4 2.1089(12) 2_566 ?
Fe2 O6 2.1375(15) 2_566 ?
