#------------------------------------------------------------------------------
#$Date: 2023-09-19 09:45:50 +0300 (Tue, 19 Sep 2023) $
#$Revision: 286398 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/75/8107509.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_8107509
loop_
_publ_author_name
'Gao, Xin-Ping'
'Lü, Shuang'
'Li, Qian-Li'
_publ_section_title
;
 Crystal structure of
 tetracarbonyl-{μ-[N-(diphenylphosphanyl)-N,P,P-triphenylphosphinous
 amide]}-bis[μ-(phenylmethanethiolato)]diiron (Fe--Fe), C48H39Fe2NO4P2S2
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              607
_journal_page_last               609
_journal_paper_doi               10.1515/ncrs-2023-0115
_journal_volume                  238
_journal_year                    2023
_chemical_formula_sum            'C48 H39 Fe2 N O4 P2 S2'
_chemical_formula_weight         931.56
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 108.297(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.4073(11)
_cell_length_b                   16.9013(14)
_cell_length_c                   11.8261(12)
_cell_measurement_reflns_used    5840
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.1235
_cell_measurement_theta_min      2.1635
_cell_volume                     2164.8(4)
_computing_cell_refinement       'SAINT (BRUKER, 2009) [1]'
_computing_data_collection       'APEX2 (BRUKER, 2009) [1]'
_computing_data_reduction        'SADABS (BRUKER, 2009) [1]'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009) [4]'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009) [4]'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018) [3]'
_computing_structure_solution    'ShelXS (Sheldrick, 2008) [2]'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_unetI/netI     0.0600
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            10927
_diffrn_reflns_point_group_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        25.018
_diffrn_reflns_theta_max         25.018
_diffrn_reflns_theta_min         2.164
_exptl_absorpt_coefficient_mu    0.886
_exptl_absorpt_correction_T_max  0.883
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details
; 
 Flack x determined using 2698 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.022(13)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         7335
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0355
_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)+(0.0232P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0740
_reflns_Friedel_coverage         0.852
_reflns_Friedel_fraction_full    0.917
_reflns_Friedel_fraction_max     0.917
_reflns_number_gt                6467
_reflns_number_total             7335
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2023-0115_suppl_001.cif
_cod_data_source_block           d
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8107509
_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   0.718
_shelx_estimated_absorpt_t_max   0.886
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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 0.2329(5) 0.7461(4) 0.7820(5) 0.0416(14) Uani 1 1 d . . . . .
C2 C 0.3808(4) 0.8718(3) 0.8665(4) 0.0329(12) Uani 1 1 d . . . . .
C3 C 0.1721(5) 1.0262(4) 0.5084(5) 0.0426(14) Uani 1 1 d . . . . .
C4 C 0.3671(5) 1.0165(3) 0.6998(5) 0.0381(13) Uani 1 1 d . . . . .
C5 C 0.0057(4) 0.8303(3) 0.8870(5) 0.0328(12) Uani 1 1 d . . . . .
C6 C -0.0512(5) 0.7777(3) 0.7989(5) 0.0420(14) Uani 1 1 d . . . . .
H6 H -0.020444 0.770072 0.735602 0.050 Uiso 1 1 calc R U . . .
C7 C -0.1532(5) 0.7360(4) 0.8030(6) 0.0573(18) Uani 1 1 d . . . . .
H7 H -0.191502 0.700891 0.742083 0.069 Uiso 1 1 calc R U . . .
C8 C -0.1986(5) 0.7460(4) 0.8962(6) 0.0612(19) Uani 1 1 d . . . . .
H8 H -0.267982 0.717970 0.898557 0.073 Uiso 1 1 calc R U . . .
C9 C -0.1423(5) 0.7967(4) 0.9847(6) 0.0536(17) Uani 1 1 d . . . . .
H9 H -0.173038 0.803119 1.048250 0.064 Uiso 1 1 calc R U . . .
C10 C -0.0405(5) 0.8388(4) 0.9824(5) 0.0442(14) Uani 1 1 d . . . . .
H10 H -0.002096 0.873051 1.044486 0.053 Uiso 1 1 calc R U . . .
C11 C 0.2272(4) 0.8844(3) 1.0422(4) 0.0325(12) Uani 1 1 d . . . . .
C12 C 0.2851(5) 0.8144(4) 1.0860(5) 0.0453(15) Uani 1 1 d . . . . .
H12 H 0.282736 0.772655 1.034045 0.054 Uiso 1 1 calc R U . . .
C13 C 0.3467(5) 0.8053(5) 1.2057(6) 0.0593(18) Uani 1 1 d . . . . .
H13 H 0.386658 0.758000 1.234486 0.071 Uiso 1 1 calc R U . . .
C14 C 0.3485(5) 0.8665(5) 1.2819(5) 0.068(2) Uani 1 1 d . . . . .
H14 H 0.388292 0.860455 1.363052 0.081 Uiso 1 1 calc R U . . .
C15 C 0.2925(6) 0.9357(5) 1.2395(6) 0.066(2) Uani 1 1 d . . . . .
H15 H 0.293999 0.977168 1.291608 0.079 Uiso 1 1 calc R U . . .
C16 C 0.2333(5) 0.9450(4) 1.1195(5) 0.0487(15) Uani 1 1 d . . . . .
H16 H 0.197104 0.993318 1.090842 0.058 Uiso 1 1 calc R U . . .
C17 C 0.2549(4) 1.1067(3) 0.8484(5) 0.0319(12) Uani 1 1 d . . . . .
C18 C 0.3418(5) 1.0775(4) 0.9499(5) 0.0409(14) Uani 1 1 d . . . . .
H18 H 0.332032 1.027039 0.977078 0.049 Uiso 1 1 calc R U . . .
C19 C 0.4430(5) 1.1228(4) 1.0113(6) 0.0502(16) Uani 1 1 d . . . . .
H19 H 0.500202 1.103252 1.080163 0.060 Uiso 1 1 calc R U . . .
C20 C 0.4582(6) 1.1953(4) 0.9706(6) 0.0590(18) Uani 1 1 d . . . . .
H20 H 0.526716 1.225349 1.011194 0.071 Uiso 1 1 calc R U . . .
C21 C 0.3737(6) 1.2251(4) 0.8701(7) 0.0589(18) Uani 1 1 d . . . . .
H21 H 0.384833 1.275431 0.843314 0.071 Uiso 1 1 calc R U . . .
C22 C 0.2723(5) 1.1809(3) 0.8086(6) 0.0429(14) Uani 1 1 d . . . . .
H22 H 0.215489 1.201223 0.740120 0.051 Uiso 1 1 calc R U . . .
C23 C 0.0079(4) 1.0992(3) 0.6849(5) 0.0332(12) Uani 1 1 d . . . . .
C24 C -0.0731(5) 1.0755(4) 0.5774(5) 0.0461(14) Uani 1 1 d . . . . .
H24 H -0.053440 1.032599 0.537501 0.055 Uiso 1 1 calc R U . . .
C25 C -0.1841(5) 1.1153(4) 0.5281(6) 0.0585(18) Uani 1 1 d . . . . .
H25 H -0.238619 1.099201 0.455346 0.070 Uiso 1 1 calc R U . . .
C26 C -0.2122(6) 1.1773(4) 0.5864(7) 0.0617(19) Uani 1 1 d . . . . .
H26 H -0.287762 1.202800 0.554763 0.074 Uiso 1 1 calc R U . . .
C27 C -0.1313(6) 1.2033(4) 0.6913(7) 0.0554(18) Uani 1 1 d . . . . .
H27 H -0.150802 1.247243 0.729304 0.066 Uiso 1 1 calc R U . . .
C28 C -0.0213(5) 1.1646(3) 0.7408(5) 0.0409(14) Uani 1 1 d . . . . .
H28 H 0.033798 1.182536 0.812155 0.049 Uiso 1 1 calc R U . . .
C29 C -0.0160(4) 1.0127(3) 0.8834(5) 0.0327(12) Uani 1 1 d . . . . .
C30 C -0.1325(5) 0.9890(3) 0.8182(6) 0.0456(15) Uani 1 1 d . . . . .
H30 H -0.143632 0.952354 0.757021 0.055 Uiso 1 1 calc R U . . .
C31 C -0.2338(6) 1.0201(4) 0.8443(8) 0.069(2) Uani 1 1 d . . . . .
H31 H -0.312919 1.003753 0.800633 0.083 Uiso 1 1 calc R U . . .
C32 C -0.2187(7) 1.0739(5) 0.9327(8) 0.075(2) Uani 1 1 d . . . . .
H32 H -0.286945 1.093414 0.950709 0.090 Uiso 1 1 calc R U . . .
C33 C -0.1046(8) 1.0988(4) 0.9940(7) 0.068(2) Uani 1 1 d . . . . .
H33 H -0.094846 1.137091 1.052806 0.082 Uiso 1 1 calc R U . . .
C34 C -0.0020(5) 1.0688(3) 0.9716(5) 0.0429(14) Uani 1 1 d . . . . .
H34 H 0.076416 1.086284 1.015554 0.051 Uiso 1 1 calc R U . . .
C35 C 0.0212(5) 0.8271(3) 0.4858(5) 0.0454(14) Uani 1 1 d . . . . .
H35A H 0.092354 0.819258 0.458890 0.055 Uiso 1 1 calc R U . . .
H35B H -0.008171 0.775683 0.501443 0.055 Uiso 1 1 calc R U . . .
C36 C -0.0778(5) 0.8690(3) 0.3926(5) 0.0413(14) Uani 1 1 d . . . . .
C37 C -0.1957(5) 0.8712(5) 0.3984(6) 0.070(2) Uani 1 1 d . . . . .
H37 H -0.214757 0.844336 0.459026 0.084 Uiso 1 1 calc R U . . .
C38 C -0.2863(8) 0.9129(7) 0.3154(10) 0.113(4) Uani 1 1 d . . . . .
H38 H -0.365740 0.914746 0.321154 0.135 Uiso 1 1 calc R U . . .
C39 C -0.2613(13) 0.9507(7) 0.2268(10) 0.127(5) Uani 1 1 d . . . . .
H39 H -0.322843 0.978540 0.170367 0.152 Uiso 1 1 calc R U . . .
C40 C -0.1443(13) 0.9480(6) 0.2199(8) 0.114(4) Uani 1 1 d . . . . .
H40 H -0.126355 0.973897 0.157906 0.137 Uiso 1 1 calc R U . . .
C41 C -0.0530(8) 0.9077(5) 0.3027(6) 0.076(2) Uani 1 1 d . . . . .
H41 H 0.026545 0.906922 0.297142 0.092 Uiso 1 1 calc R U . . .
C42 C 0.4791(4) 0.8575(3) 0.6447(5) 0.0419(13) Uani 1 1 d . . . . .
H42A H 0.505599 0.896979 0.598284 0.050 Uiso 1 1 calc R U . . .
H42B H 0.516544 0.869696 0.728464 0.050 Uiso 1 1 calc R U . . .
C43 C 0.5174(4) 0.7766(4) 0.6180(5) 0.0369(13) Uani 1 1 d . . . . .
C44 C 0.4998(5) 0.7118(4) 0.6788(6) 0.0500(16) Uani 1 1 d . . . . .
H44 H 0.468329 0.718359 0.741874 0.060 Uiso 1 1 calc R U . . .
C45 C 0.5271(6) 0.6372(4) 0.6498(6) 0.0595(18) Uani 1 1 d . . . . .
H45 H 0.514578 0.593810 0.692884 0.071 Uiso 1 1 calc R U . . .
C46 C 0.5730(6) 0.6269(5) 0.5569(6) 0.068(2) Uani 1 1 d . . . . .
H46 H 0.590377 0.576330 0.535469 0.081 Uiso 1 1 calc R U . . .
C47 C 0.5928(6) 0.6906(5) 0.4965(6) 0.066(2) Uani 1 1 d . . . . .
H47 H 0.624393 0.683903 0.433529 0.080 Uiso 1 1 calc R U . . .
C48 C 0.5666(5) 0.7653(4) 0.5277(5) 0.0487(15) Uani 1 1 d . . . . .
H48 H 0.582649 0.808882 0.486717 0.058 Uiso 1 1 calc R U . . .
Fe1 Fe 0.23891(6) 0.84900(4) 0.76262(6) 0.02802(17) Uani 1 1 d . . . . .
Fe2 Fe 0.22262(6) 0.97013(4) 0.64147(6) 0.02851(17) Uani 1 1 d . . . . .
N1 N 0.0889(3) 0.9830(2) 0.8533(3) 0.0274(9) Uani 1 1 d . . . . .
O1 O 0.2342(4) 0.6793(3) 0.7957(4) 0.0678(13) Uani 1 1 d . . . . .
O2 O 0.4747(3) 0.8885(3) 0.9345(4) 0.0553(11) Uani 1 1 d . . . . .
O3 O 0.1416(4) 1.0638(3) 0.4255(4) 0.0739(15) Uani 1 1 d . . . . .
O4 O 0.4618(3) 1.0456(3) 0.7328(4) 0.0570(12) Uani 1 1 d . . . . .
P1 P 0.14053(11) 0.88789(8) 0.88382(11) 0.0271(3) Uani 1 1 d . . . . .
P2 P 0.14185(11) 1.03836(8) 0.75573(12) 0.0275(3) Uani 1 1 d . . . . .
S1 S 0.06453(10) 0.88645(8) 0.62137(11) 0.0302(3) Uani 1 1 d . . . . .
S2 S 0.30959(11) 0.85817(8) 0.60588(11) 0.0338(3) 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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 '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'
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
C2 Fe1 C1 101.1(2) . .
C2 Fe1 P1 91.49(15) . .
C1 Fe1 P1 99.38(18) . .
C2 Fe1 S2 94.11(16) . .
C1 Fe1 S2 102.41(19) . .
P1 Fe1 S2 155.98(6) . .
C2 Fe1 S1 150.61(17) . .
C1 Fe1 S1 108.28(19) . .
P1 Fe1 S1 83.44(5) . .
S2 Fe1 S1 80.25(5) . .
C2 Fe1 Fe2 96.29(17) . .
C1 Fe1 Fe2 153.62(19) . .
P1 Fe1 Fe2 99.83(5) . .
S2 Fe1 Fe2 56.35(4) . .
S1 Fe1 Fe2 56.54(4) . .
C4 Fe2 C3 96.5(3) . .
C4 Fe2 P2 92.73(17) . .
C3 Fe2 P2 100.64(19) . .
C4 Fe2 S2 91.96(17) . .
C3 Fe2 S2 108.95(19) . .
P2 Fe2 S2 149.28(6) . .
C4 Fe2 S1 160.92(19) . .
C3 Fe2 S1 102.49(17) . .
P2 Fe2 S1 85.26(5) . .
S2 Fe2 S1 80.57(5) . .
C4 Fe2 Fe1 104.54(19) . .
C3 Fe2 Fe1 154.43(19) . .
P2 Fe2 Fe1 92.76(4) . .
S2 Fe2 Fe1 56.73(4) . .
S1 Fe2 Fe1 56.72(4) . .
N1 P1 C11 106.6(2) . .
N1 P1 C5 105.6(2) . .
C11 P1 C5 98.6(2) . .
N1 P1 Fe1 111.00(14) . .
C11 P1 Fe1 116.14(16) . .
C5 P1 Fe1 117.54(18) . .
N1 P2 C23 101.2(2) . .
N1 P2 C17 105.7(2) . .
C23 P2 C17 104.7(2) . .
N1 P2 Fe2 115.39(14) . .
C23 P2 Fe2 118.08(18) . .
C17 P2 Fe2 110.51(15) . .
C35 S1 Fe2 115.3(2) . .
C35 S1 Fe1 115.51(18) . .
Fe2 S1 Fe1 66.74(4) . .
C42 S2 Fe2 116.80(19) . .
C42 S2 Fe1 114.50(18) . .
Fe2 S2 Fe1 66.92(4) . .
C43 C42 S2 107.8(4) . .
C29 N1 P1 122.1(3) . .
C29 N1 P2 117.8(3) . .
P1 N1 P2 118.6(2) . .
O4 C4 Fe2 176.8(5) . .
C6 C5 C10 118.3(5) . .
C6 C5 P1 122.0(4) . .
C10 C5 P1 119.7(4) . .
O2 C2 Fe1 178.6(5) . .
C16 C11 C12 118.6(5) . .
C16 C11 P1 124.3(4) . .
C12 C11 P1 117.1(4) . .
C30 C29 C34 119.2(5) . .
C30 C29 N1 119.5(5) . .
C34 C29 N1 121.1(5) . .
C24 C23 C28 118.9(5) . .
C24 C23 P2 119.0(4) . .
C28 C23 P2 121.8(4) . .
C22 C17 C18 118.7(5) . .
C22 C17 P2 121.6(4) . .
C18 C17 P2 118.3(4) . .
C36 C35 S1 108.9(4) . .
C17 C18 C19 120.6(6) . .
C44 C43 C48 117.8(6) . .
C44 C43 C42 121.5(5) . .
C48 C43 C42 120.7(5) . .
C23 C24 C25 120.4(6) . .
C9 C10 C5 120.1(6) . .
C41 C36 C37 118.5(6) . .
C41 C36 C35 121.1(6) . .
C37 C36 C35 120.3(5) . .
C33 C34 C29 119.6(6) . .
C29 C30 C31 119.4(6) . .
O1 C1 Fe1 177.1(5) . .
C26 C27 C28 120.1(6) . .
C20 C19 C18 119.7(6) . .
C26 C25 C24 119.6(7) . .
C27 C28 C23 120.2(6) . .
O3 C3 Fe2 177.9(6) . .
C14 C13 C12 119.3(6) . .
C8 C9 C10 121.0(6) . .
C5 C6 C7 120.7(6) . .
C20 C21 C22 120.2(6) . .
C32 C33 C34 121.2(7) . .
C11 C16 C15 120.8(6) . .
C9 C8 C7 119.7(5) . .
C17 C22 C21 120.1(6) . .
C43 C48 C47 121.0(6) . .
C11 C12 C13 120.8(6) . .
C36 C37 C38 120.5(8) . .
C25 C26 C27 120.9(6) . .
C19 C20 C21 120.7(6) . .
C46 C47 C48 120.3(6) . .
C43 C44 C45 121.8(6) . .
C14 C15 C16 120.2(7) . .
C47 C46 C45 119.5(7) . .
C32 C31 C30 120.8(7) . .
C15 C14 C13 120.2(6) . .
C8 C7 C6 120.3(6) . .
C44 C45 C46 119.6(7) . .
C36 C41 C40 120.3(8) . .
C33 C32 C31 119.6(6) . .
C39 C40 C41 121.0(9) . .
C38 C39 C40 119.1(10) . .
C39 C38 C37 120.6(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C2 1.741(5) .
Fe1 C1 1.758(6) .
Fe1 P1 2.1808(14) .
Fe1 S2 2.2468(14) .
Fe1 S1 2.2498(14) .
Fe1 Fe2 2.4722(10) .
Fe2 C4 1.758(6) .
Fe2 C3 1.771(6) .
Fe2 P2 2.1878(14) .
Fe2 S2 2.2371(15) .
Fe2 S1 2.2450(14) .
P1 N1 1.712(4) .
P1 C11 1.824(5) .
P1 C5 1.830(5) .
P2 N1 1.734(4) .
P2 C23 1.814(5) .
P2 C17 1.820(5) .
S1 C35 1.822(5) .
S2 C42 1.842(5) .
C42 C43 1.499(8) .
N1 C29 1.442(6) .
C4 O4 1.139(6) .
C5 C6 1.368(7) .
C5 C10 1.394(7) .
C2 O2 1.154(5) .
C11 C16 1.359(7) .
C11 C12 1.375(7) .
C29 C30 1.370(7) .
C29 C34 1.382(7) .
C23 C24 1.376(8) .
C23 C28 1.382(7) .
C17 C22 1.375(8) .
C17 C18 1.386(7) .
C35 C36 1.486(7) .
C18 C19 1.386(7) .
C43 C44 1.360(8) .
C43 C48 1.367(7) .
C24 C25 1.390(8) .
C10 C9 1.370(7) .
C36 C41 1.352(8) .
C36 C37 1.370(8) .
C34 C33 1.376(8) .
C30 C31 1.390(8) .
C1 O1 1.140(7) .
C27 C26 1.366(9) .
C27 C28 1.373(7) .
C19 C20 1.346(9) .
C25 C26 1.348(10) .
C3 O3 1.127(7) .
C13 C14 1.367(10) .
C13 C12 1.378(8) .
C9 C8 1.349(9) .
C6 C7 1.374(8) .
C21 C20 1.370(9) .
C21 C22 1.378(8) .
C33 C32 1.344(11) .
C16 C15 1.376(8) .
C8 C7 1.368(9) .
C48 C47 1.375(9) .
C37 C38 1.375(11) .
C47 C46 1.350(10) .
C44 C45 1.368(9) .
C15 C14 1.351(10) .
C46 C45 1.368(9) .
C31 C32 1.354(11) .
C41 C40 1.366(12) .
C40 C39 1.364(14) .
C39 C38 1.333(14) .
