#------------------------------------------------------------------------------
#$Date: 2017-06-04 13:27:59 +0300 (Sun, 04 Jun 2017) $
#$Revision: 197296 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/61/4126165.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_4126165
loop_
_publ_author_name
'Araake, Ryoichi'
'Sakadani, Kazuki'
'Tada, Mizuki'
'Sakai, Yoichi'
'Ohki, Yasuhiro'
_publ_section_title
;
 [Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis,
 Characterization, and Application in N2 Reduction.
;
_journal_issue                   15
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5596
_journal_page_last               5606
_journal_paper_doi               10.1021/jacs.7b01965
_journal_volume                  139
_journal_year                    2017
_chemical_formula_moiety         'C36 H102 Fe4 N2 P4 Si4'
_chemical_formula_sum            'C36 H102 Fe4 N2 P4 Si4'
_chemical_formula_weight         1022.84
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 119.741(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   12.824(2)
_cell_length_b                   19.427(3)
_cell_length_c                   12.822(2)
_cell_measurement_reflns_used    5723
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.30
_cell_volume                     2773.6(8)
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b29'
_computing_data_collection
'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b29'
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2015)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0605
_diffrn_reflns_Laue_measured_fraction_full 0.000
_diffrn_reflns_Laue_measured_fraction_max 0.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            41842
_diffrn_reflns_point_group_measured_fraction_full 0.000
_diffrn_reflns_point_group_measured_fraction_max 0.000
_diffrn_reflns_theta_full        27.470
_diffrn_reflns_theta_max         27.470
_diffrn_reflns_theta_min         3.178
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.250
_exptl_absorpt_correction_T_max  0.779
_exptl_absorpt_correction_T_min  0.599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1104.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     238
_refine_ls_number_reflns         6309
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0289P)²+2.0098P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0751
_reflns_number_gt                5119
_reflns_number_total             6309
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja7b01965_si_002.cif
_cod_data_source_block           araake100
_cod_database_code               4126165
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Fe1 Fe 0.03859(2) 0.469165(15) 0.10637(2) 0.01653(7) Uani 1 1 d .
Fe2 Fe 0.16230(2) 0.560323(15) 0.07428(3) 0.02001(8) Uani 1 1 d .
P1 P 0.17471(5) 0.38902(3) 0.19273(5) 0.02341(12) Uani 1 1 d .
P2 P -0.00246(5) 0.48628(3) 0.25050(5) 0.02014(11) Uani 1 1 d .
Si1 Si 0.44687(5) 0.57776(3) 0.17203(6) 0.02597(14) Uani 1 1 d .
Si2 Si 0.29524(5) 0.69597(3) 0.17400(6) 0.02710(14) Uani 1 1 d .
N1 N 0.31259(15) 0.61176(10) 0.14493(16) 0.0242(4) Uani 1 1 d .
C1 C 0.5562(2) 0.56428(16) 0.3360(2) 0.0440(7) Uani 1 1 d .
H1A H 0.5214 0.5326 0.3700 0.053 Uiso 1 1 calc R
H1B H 0.5734 0.6085 0.3782 0.053 Uiso 1 1 calc R
H1C H 0.6309 0.5447 0.3455 0.053 Uiso 1 1 calc R
C2 C 0.4241(2) 0.49110(13) 0.0987(2) 0.0353(5) Uani 1 1 d .
H2A H 0.3741 0.4961 0.0115 0.042 Uiso 1 1 calc R
H2B H 0.3842 0.4603 0.1286 0.042 Uiso 1 1 calc R
H2C H 0.5022 0.4717 0.1179 0.042 Uiso 1 1 calc R
C3 C 0.5262(2) 0.63331(14) 0.1130(3) 0.0392(6) Uani 1 1 d .
H3A H 0.4734 0.6411 0.0268 0.047 Uiso 1 1 calc R
H3B H 0.5998 0.6102 0.1262 0.047 Uiso 1 1 calc R
H3C H 0.5469 0.6776 0.1551 0.047 Uiso 1 1 calc R
C4 C 0.4159(2) 0.72586(16) 0.3243(3) 0.0473(7) Uani 1 1 d .
H4A H 0.4941 0.7219 0.3284 0.057 Uiso 1 1 calc R
H4B H 0.4155 0.6974 0.3871 0.057 Uiso 1 1 calc R
H4C H 0.4015 0.7740 0.3361 0.057 Uiso 1 1 calc R
C5 C 0.1497(2) 0.70741(14) 0.1732(3) 0.0399(6) Uani 1 1 d .
H5A H 0.1491 0.6779 0.2349 0.048 Uiso 1 1 calc R
H5B H 0.0829 0.6946 0.0942 0.048 Uiso 1 1 calc R
H5C H 0.1411 0.7556 0.1900 0.048 Uiso 1 1 calc R
C6 C 0.2926(3) 0.75727(14) 0.0601(3) 0.0475(7) Uani 1 1 d .
H6A H 0.2255 0.7457 -0.0194 0.057 Uiso 1 1 calc R
H6B H 0.3683 0.7538 0.0590 0.057 Uiso 1 1 calc R
H6C H 0.2827 0.8044 0.0812 0.057 Uiso 1 1 calc R
C7 C 0.32459(19) 0.41907(14) 0.3088(2) 0.0345(5) Uani 1 1 d .
H7A H 0.3432 0.4611 0.2775 0.041 Uiso 1 1 calc R
H7B H 0.3180 0.4332 0.3795 0.041 Uiso 1 1 calc R
C8 C 0.4328(2) 0.37118(18) 0.3536(3) 0.0537(8) Uani 1 1 d .
H8A H 0.4439 0.3578 0.2861 0.064 Uiso 1 1 calc R
H8B H 0.4190 0.3300 0.3892 0.064 Uiso 1 1 calc R
H8C H 0.5048 0.3950 0.4143 0.064 Uiso 1 1 calc R
C9 C 0.1977(2) 0.34415(12) 0.0780(2) 0.0290(5) Uani 1 1 d .
H9A H 0.1183 0.3412 0.0042 0.035 Uiso 1 1 calc R
H9B H 0.2481 0.3746 0.0591 0.035 Uiso 1 1 calc R
C10 C 0.2536(3) 0.27240(15) 0.1009(3) 0.0538(8) Uani 1 1 d .
H10A H 0.2035 0.2400 0.1155 0.065 Uiso 1 1 calc R
H10B H 0.3343 0.2737 0.1714 0.065 Uiso 1 1 calc R
H10C H 0.2587 0.2574 0.0306 0.065 Uiso 1 1 calc R
C11 C 0.1524(2) 0.31709(13) 0.2730(2) 0.0358(6) Uani 1 1 d .
H11A H 0.2224 0.2859 0.3027 0.043 Uiso 1 1 calc R
H11B H 0.1506 0.3357 0.3440 0.043 Uiso 1 1 calc R
C12 C 0.0384(2) 0.27503(14) 0.1988(3) 0.0443(7) Uani 1 1 d .
H12A H -0.0321 0.3045 0.1737 0.053 Uiso 1 1 calc R
H12B H 0.0356 0.2369 0.2474 0.053 Uiso 1 1 calc R
H12C H 0.0384 0.2566 0.1276 0.053 Uiso 1 1 calc R
C13 C 0.1219(2) 0.50081(13) 0.40477(19) 0.0287(5) Uani 1 1 d .
H13A H 0.0872 0.5058 0.4583 0.034 Uiso 1 1 calc R
H13B H 0.1732 0.4592 0.4307 0.034 Uiso 1 1 calc R
C14 C 0.2015(2) 0.56286(14) 0.4234(2) 0.0408(6) Uani 1 1 d .
H14A H 0.1521 0.6046 0.3965 0.049 Uiso 1 1 calc R
H14B H 0.2426 0.5569 0.3767 0.049 Uiso 1 1 calc R
H14C H 0.2612 0.5671 0.5088 0.049 Uiso 1 1 calc R
C15 C -0.0929(2) 0.56512(11) 0.2227(2) 0.0257(4) Uani 1 1 d .
H15A H -0.0495 0.6034 0.2099 0.031 Uiso 1 1 calc R
H15B H -0.1693 0.5587 0.1465 0.031 Uiso 1 1 calc R
C16 C -0.1236(2) 0.58787(14) 0.3184(2) 0.0377(6) Uani 1 1 d .
H16A H -0.1720 0.5522 0.3285 0.045 Uiso 1 1 calc R
H16B H -0.1692 0.6310 0.2934 0.045 Uiso 1 1 calc R
H16C H -0.0493 0.5950 0.3948 0.045 Uiso 1 1 calc R
C17 C -0.0860(2) 0.42263(12) 0.2887(2) 0.0279(5) Uani 1 1 d .
H17A H -0.0407 0.3788 0.3107 0.033 Uiso 1 1 calc R
H17B H -0.0882 0.4393 0.3606 0.033 Uiso 1 1 calc R
C18 C -0.2140(2) 0.40805(14) 0.1903(2) 0.0390(6) Uani 1 1 d .
H18A H -0.2158 0.4023 0.1135 0.047 Uiso 1 1 calc R
H18B H -0.2658 0.4467 0.1844 0.047 Uiso 1 1 calc R
H18C H -0.2428 0.3658 0.2096 0.047 Uiso 1 1 calc R
H19 H -0.069(3) 0.5231(15) 0.009(3) 0.053(9) Uiso 1 1 d .
H20 H 0.126(2) 0.5239(14) 0.180(2) 0.043(8) Uiso 1 1 d .
H21 H -0.041(2) 0.4066(15) 0.061(3) 0.049(8) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Fe Fe 0.3463 0.8444
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 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
P2 Fe1 P1 98.45(2) . .
P2 Fe1 Fe2 104.22(2) . 3_565
P1 Fe1 Fe2 119.78(2) . 3_565
P2 Fe1 Fe2 117.55(2) . .
P1 Fe1 Fe2 99.93(2) . .
Fe2 Fe1 Fe2 116.279(15) 3_565 .
P2 Fe1 Fe1 132.16(2) . 3_565
P1 Fe1 Fe1 129.28(2) . 3_565
Fe2 Fe1 Fe1 58.354(14) 3_565 3_565
Fe2 Fe1 Fe1 57.925(13) . 3_565
P2 Fe1 H19 94.5(10) . .
P1 Fe1 H19 166.2(10) . .
Fe2 Fe1 H19 51.5(10) 3_565 .
Fe2 Fe1 H19 78.2(10) . .
Fe1 Fe1 H19 38.5(10) 3_565 .
P2 Fe1 H20 77.1(10) . .
P1 Fe1 H20 91.6(10) . .
Fe2 Fe1 H20 147.5(10) 3_565 .
Fe2 Fe1 H20 43.4(11) . .
Fe1 Fe1 H20 96.1(11) 3_565 .
H19 Fe1 H20 96.0(14) . .
P2 Fe1 H21 92.7(11) . .
P1 Fe1 H21 80.7(11) . .
Fe2 Fe1 H21 43.8(11) 3_565 .
Fe2 Fe1 H21 149.1(11) . .
Fe1 Fe1 H21 97.6(11) 3_565 .
H19 Fe1 H21 93.9(15) . .
H20 Fe1 H21 166.2(15) . .
N1 Fe2 Fe1 149.73(6) . 3_565
N1 Fe2 Fe1 146.49(6) . .
Fe1 Fe2 Fe1 63.720(16) 3_565 .
N1 Fe2 H20 115.0(9) . .
Fe1 Fe2 H20 94.2(9) 3_565 .
Fe1 Fe2 H20 35.1(9) . .
C11 P1 C7 100.25(12) . .
C11 P1 C9 102.52(12) . .
C7 P1 C9 106.01(11) . .
C11 P1 Fe1 121.16(8) . .
C7 P1 Fe1 115.67(9) . .
C9 P1 Fe1 109.52(7) . .
C13 P2 C15 101.89(11) . .
C13 P2 C17 97.11(11) . .
C15 P2 C17 102.40(10) . .
C13 P2 Fe1 119.19(8) . .
C15 P2 Fe1 110.77(7) . .
C17 P2 Fe1 122.39(8) . .
N1 Si1 C2 110.69(10) . .
N1 Si1 C1 113.46(11) . .
C2 Si1 C1 106.22(13) . .
N1 Si1 C3 112.81(11) . .
C2 Si1 C3 107.07(12) . .
C1 Si1 C3 106.15(13) . .
N1 Si2 C4 112.96(11) . .
N1 Si2 C6 113.02(12) . .
C4 Si2 C6 106.98(14) . .
N1 Si2 C5 110.34(10) . .
C4 Si2 C5 106.40(13) . .
C6 Si2 C5 106.72(13) . .
Si1 N1 Si2 123.33(10) . .
Si1 N1 Fe2 124.03(11) . .
Si2 N1 Fe2 112.62(9) . .
Si1 C1 H1A 109.5 . .
Si1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Si1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Si1 C2 H2A 109.5 . .
Si1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Si1 C3 H3A 109.5 . .
Si1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Si2 C4 H4A 109.5 . .
Si2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Si2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Si2 C5 H5A 109.5 . .
Si2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Si2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Si2 C6 H6A 109.5 . .
Si2 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Si2 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 P1 119.9(2) . .
C8 C7 H7A 107.3 . .
P1 C7 H7A 107.3 . .
C8 C7 H7B 107.3 . .
P1 C7 H7B 107.3 . .
H7A C7 H7B 106.9 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 P1 121.31(18) . .
C10 C9 H9A 107.0 . .
P1 C9 H9A 107.0 . .
C10 C9 H9B 107.0 . .
P1 C9 H9B 107.0 . .
H9A C9 H9B 106.7 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C12 C11 P1 115.12(18) . .
C12 C11 H11A 108.5 . .
P1 C11 H11A 108.5 . .
C12 C11 H11B 108.5 . .
P1 C11 H11B 108.5 . .
H11A C11 H11B 107.5 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 P2 116.44(17) . .
C14 C13 H13A 108.2 . .
P2 C13 H13A 108.2 . .
C14 C13 H13B 108.2 . .
P2 C13 H13B 108.2 . .
H13A C13 H13B 107.3 . .
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 . .
C16 C15 P2 118.16(16) . .
C16 C15 H15A 107.8 . .
P2 C15 H15A 107.8 . .
C16 C15 H15B 107.8 . .
P2 C15 H15B 107.8 . .
H15A C15 H15B 107.1 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 P2 115.60(16) . .
C18 C17 H17A 108.4 . .
P2 C17 H17A 108.4 . .
C18 C17 H17B 108.4 . .
P2 C17 H17B 108.4 . .
H17A C17 H17B 107.4 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 P2 2.1836(7) .
Fe1 P1 2.1862(6) .
Fe1 Fe2 2.5317(5) 3_565
Fe1 Fe2 2.5436(5) .
Fe1 Fe1 2.6790(7) 3_565
Fe1 H19 1.69(3) .
Fe1 H20 1.49(3) .
Fe1 H21 1.51(3) .
Fe2 N1 1.9499(17) .
Fe2 Fe1 2.5317(5) 3_565
Fe2 H20 1.78(3) .
P1 C11 1.840(2) .
P1 C7 1.847(2) .
P1 C9 1.856(2) .
P2 C13 1.845(2) .
P2 C15 1.846(2) .
P2 C17 1.854(2) .
Si1 N1 1.7113(18) .
Si1 C2 1.879(3) .
Si1 C1 1.879(3) .
Si1 C3 1.881(2) .
Si2 N1 1.717(2) .
Si2 C4 1.867(3) .
Si2 C6 1.871(3) .
Si2 C5 1.874(2) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.526(3) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.527(3) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.527(4) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.520(3) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.529(3) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.521(3) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
P2 Fe1 Fe2 N1 58.05(10) . .
P1 Fe1 Fe2 N1 -46.99(10) . .
Fe2 Fe1 Fe2 N1 -177.44(10) 3_565 .
Fe1 Fe1 Fe2 N1 -177.44(10) 3_565 .
P2 Fe1 Fe2 Fe1 -124.51(3) . 3_565
P1 Fe1 Fe2 Fe1 130.45(2) . 3_565
Fe2 Fe1 Fe2 Fe1 0.0 3_565 3_565
P2 Fe1 P1 C11 44.53(11) . .
Fe2 Fe1 P1 C11 -67.25(11) 3_565 .
Fe2 Fe1 P1 C11 164.57(11) . .
Fe1 Fe1 P1 C11 -139.02(11) 3_565 .
P2 Fe1 P1 C7 -76.90(9) . .
Fe2 Fe1 P1 C7 171.32(9) 3_565 .
Fe2 Fe1 P1 C7 43.14(9) . .
Fe1 Fe1 P1 C7 99.55(10) 3_565 .
P2 Fe1 P1 C9 163.42(8) . .
Fe2 Fe1 P1 C9 51.64(8) 3_565 .
Fe2 Fe1 P1 C9 -76.53(8) . .
Fe1 Fe1 P1 C9 -20.12(9) 3_565 .
P1 Fe1 P2 C13 50.12(9) . .
Fe2 Fe1 P2 C13 173.87(9) 3_565 .
Fe2 Fe1 P2 C13 -55.79(9) . .
Fe1 Fe1 P2 C13 -126.18(9) 3_565 .
P1 Fe1 P2 C15 167.78(8) . .
Fe2 Fe1 P2 C15 -68.46(8) 3_565 .
Fe2 Fe1 P2 C15 61.88(8) . .
Fe1 Fe1 P2 C15 -8.51(9) 3_565 .
P1 Fe1 P2 C17 -71.37(9) . .
Fe2 Fe1 P2 C17 52.38(9) 3_565 .
Fe2 Fe1 P2 C17 -177.28(9) . .
Fe1 Fe1 P2 C17 112.34(9) 3_565 .
C2 Si1 N1 Si2 -167.67(13) . .
C1 Si1 N1 Si2 73.03(17) . .
C3 Si1 N1 Si2 -47.73(17) . .
C2 Si1 N1 Fe2 10.70(16) . .
C1 Si1 N1 Fe2 -108.60(15) . .
C3 Si1 N1 Fe2 130.64(13) . .
C4 Si2 N1 Si1 -45.49(18) . .
C6 Si2 N1 Si1 76.15(17) . .
C5 Si2 N1 Si1 -164.45(13) . .
C4 Si2 N1 Fe2 135.97(13) . .
C6 Si2 N1 Fe2 -102.39(13) . .
C5 Si2 N1 Fe2 17.02(15) . .
Fe1 Fe2 N1 Si1 -101.00(14) 3_565 .
Fe1 Fe2 N1 Si1 74.44(16) . .
Fe1 Fe2 N1 Si2 77.52(14) 3_565 .
Fe1 Fe2 N1 Si2 -107.04(11) . .
C11 P1 C7 C8 62.2(2) . .
C9 P1 C7 C8 -44.1(2) . .
Fe1 P1 C7 C8 -165.70(19) . .
C11 P1 C9 C10 -29.6(2) . .
C7 P1 C9 C10 75.1(2) . .
Fe1 P1 C9 C10 -159.5(2) . .
C7 P1 C11 C12 -175.22(19) . .
C9 P1 C11 C12 -66.1(2) . .
Fe1 P1 C11 C12 56.2(2) . .
C15 P2 C13 C14 -62.1(2) . .
C17 P2 C13 C14 -166.38(19) . .
Fe1 P2 C13 C14 60.1(2) . .
C13 P2 C15 C16 -48.4(2) . .
C17 P2 C15 C16 51.7(2) . .
Fe1 P2 C15 C16 -176.23(16) . .
C13 P2 C17 C18 165.80(19) . .
C15 P2 C17 C18 61.9(2) . .
Fe1 P2 C17 C18 -62.8(2) . .
