#------------------------------------------------------------------------------
#$Date: 2017-03-04 04:13:20 +0200 (Sat, 04 Mar 2017) $
#$Revision: 192988 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/54/4345465.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_4345465
loop_
_publ_author_name
'Reesbeck, Megan E.'
'Grubel, Katarzyna'
'Kim, Daniel'
'Brennessel, William W.'
'Mercado, Brandon Q.'
'Holland, Patrick L.'
_publ_section_title
;
 Diazoalkanes in Low-Coordinate Iron Chemistry: Bimetallic Diazoalkyl and
 Alkylidene Complexes of Iron(II).
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1019
_journal_page_last               1022
_journal_paper_doi               10.1021/acs.inorgchem.6b01952
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         'C48 H64 Fe2 N4 Si, C6 H6'
_chemical_formula_sum            'C54 H70 Fe2 N4 Si'
_chemical_formula_weight         914.93
_chemical_name_common            holkg27
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   14.573(5)
_cell_length_b                   17.493(5)
_cell_length_c                   20.244(5)
_cell_measurement_reflns_used    4047
_cell_measurement_temperature    100.0(5)
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      2.32
_cell_volume                     5161(3)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2012)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0(5)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD Platform'
_diffrn_measurement_method       'area detector, ω scans per φ'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0926
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            51999
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.623
_exptl_absorpt_correction_T_max  0.9069
_exptl_absorpt_correction_T_min  0.7978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4564
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0792
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0722P)²+6.4293P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1314
_refine_ls_wR_factor_ref         0.1504
_reflns_number_gt                3180
_reflns_number_total             4564
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b01952_si_002.cif
_cod_data_source_block           holkg27
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      Pccn
_cod_database_code               4345465
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y, -z+1/2'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'-x-1/2, y, z-1/2'
'x, -y-1/2, z-1/2'
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
Fe1 Fe 0.28268(3) 0.17015(3) -0.03798(2) 0.02782(17) Uani 1 1 d D . .
C14 C 0.2300(3) 0.2438(3) -0.1004(3) 0.029(2) Uani 0.50 1 d PD . -1
H14A H 0.1656 0.2255 -0.1062 0.034 Uiso 0.50 1 calc PR . -1
Si1 Si 0.27501(11) 0.24599(15) -0.18481(9) 0.0293(5) Uani 0.50 1 d PD A -1
C24 C 0.4027(4) 0.2398(5) -0.1899(4) 0.053(2) Uani 0.50 1 d PD A -1
H24A H 0.4243 0.1972 -0.1627 0.080 Uiso 0.50 1 calc PR A -1
H24B H 0.4297 0.2876 -0.1739 0.080 Uiso 0.50 1 calc PR A -1
H24C H 0.4210 0.2314 -0.2359 0.080 Uiso 0.50 1 calc PR A -1
C34 C 0.2300(10) 0.1642(6) -0.2339(5) 0.046(3) Uani 0.50 1 d PD A -1
H34A H 0.1629 0.1673 -0.2361 0.068 Uiso 0.50 1 calc PR A -1
H34B H 0.2479 0.1161 -0.2128 0.068 Uiso 0.50 1 calc PR A -1
H34C H 0.2553 0.1662 -0.2787 0.068 Uiso 0.50 1 calc PR A -1
C44 C 0.2403(11) 0.3349(6) -0.2288(5) 0.046(3) Uani 0.50 1 d PD A -1
H44A H 0.1741 0.3427 -0.2237 0.068 Uiso 0.50 1 calc PR A -1
H44B H 0.2553 0.3301 -0.2759 0.068 Uiso 0.50 1 calc PR A -1
H44C H 0.2733 0.3786 -0.2101 0.068 Uiso 0.50 1 calc PR A -1
N11 N 0.2303(2) 0.06585(17) -0.03060(14) 0.0334(7) Uani 1 1 d . . .
N21 N 0.3740(2) 0.14971(15) 0.03372(14) 0.0293(7) Uani 1 1 d . . .
C11 C 0.1679(4) -0.0411(2) 0.0326(2) 0.0572(13) Uani 1 1 d . . .
H11A H 0.1469 -0.0566 -0.0114 0.086 Uiso 1 1 calc R . .
H11B H 0.1148 -0.0276 0.0600 0.086 Uiso 1 1 calc R . .
H11C H 0.2013 -0.0834 0.0532 0.086 Uiso 1 1 calc R . .
C21 C 0.2308(3) 0.0276(2) 0.02642(19) 0.0378(9) Uani 1 1 d . . .
C31 C 0.2861(3) 0.04535(19) 0.08126(18) 0.0333(8) Uani 1 1 d . . .
C41 C 0.3609(3) 0.09650(19) 0.08029(17) 0.0309(8) Uani 1 1 d . . .
C51 C 0.4324(3) 0.0882(2) 0.13396(19) 0.0377(9) Uani 1 1 d . . .
H51A H 0.4908 0.1095 0.1185 0.057 Uiso 1 1 calc R . .
H51B H 0.4405 0.0340 0.1446 0.057 Uiso 1 1 calc R . .
H51C H 0.4123 0.1158 0.1735 0.057 Uiso 1 1 calc R . .
C61 C 0.2689(3) 0.0014(2) 0.14497(18) 0.0421(10) Uani 1 1 d . . .
H61A H 0.2968 0.0289 0.1821 0.063 Uiso 1 1 calc R . .
H61B H 0.2963 -0.0496 0.1416 0.063 Uiso 1 1 calc R . .
H61C H 0.2027 -0.0033 0.1523 0.063 Uiso 1 1 calc R . .
C12 C 0.1810(3) 0.0364(2) -0.08599(18) 0.0324(8) Uani 1 1 d . . .
C22 C 0.2239(3) -0.0159(2) -0.12780(18) 0.0354(9) Uani 1 1 d . . .
C32 C 0.1751(3) -0.0430(2) -0.18221(19) 0.0389(9) Uani 1 1 d . . .
H32A H 0.2031 -0.0791 -0.2109 0.047 Uiso 1 1 calc R . .
C42 C 0.0871(3) -0.0184(2) -0.1952(2) 0.0420(10) Uani 1 1 d . . .
H42A H 0.0548 -0.0381 -0.2322 0.050 Uiso 1 1 calc R . .
C52 C 0.0461(3) 0.0346(2) -0.1545(2) 0.0468(11) Uani 1 1 d . . .
H52A H -0.0140 0.0525 -0.1642 0.056 Uiso 1 1 calc R . .
C62 C 0.0926(3) 0.0623(2) -0.0991(2) 0.0442(10) Uani 1 1 d . . .
C72 C 0.3195(3) -0.0424(2) -0.1148(2) 0.0523(11) Uani 1 1 d . . .
H72A H 0.3393 -0.0765 -0.1505 0.078 Uiso 1 1 calc R . .
H72B H 0.3215 -0.0699 -0.0727 0.078 Uiso 1 1 calc R . .
H72C H 0.3607 0.0019 -0.1128 0.078 Uiso 1 1 calc R . .
C82 C 0.0465(3) 0.1175(3) -0.0518(3) 0.0648(15) Uani 1 1 d . . .
H82A H 0.0874 0.1609 -0.0434 0.097 Uiso 1 1 calc R . .
H82B H 0.0332 0.0913 -0.0101 0.097 Uiso 1 1 calc R . .
H82C H -0.0109 0.1360 -0.0713 0.097 Uiso 1 1 calc R . .
C13 C 0.4572(2) 0.19384(19) 0.03584(18) 0.0297(8) Uani 1 1 d . . .
C23 C 0.5323(3) 0.1713(2) -0.00267(19) 0.0362(9) Uani 1 1 d . . .
C33 C 0.6136(3) 0.2129(2) 0.0024(2) 0.0447(10) Uani 1 1 d . . .
H33A H 0.6654 0.1981 -0.0231 0.054 Uiso 1 1 calc R . .
C43 C 0.6199(3) 0.2749(2) 0.0438(2) 0.0447(10) Uani 1 1 d . . .
H43A H 0.6763 0.3019 0.0475 0.054 Uiso 1 1 calc R . .
C53 C 0.5445(3) 0.2982(2) 0.0800(2) 0.0409(10) Uani 1 1 d . . .
H53A H 0.5492 0.3416 0.1081 0.049 Uiso 1 1 calc R . .
C63 C 0.4621(2) 0.2588(2) 0.07586(18) 0.0330(8) Uani 1 1 d . . .
C73 C 0.5262(3) 0.1035(2) -0.0474(2) 0.0492(11) Uani 1 1 d . . .
H73A H 0.5039 0.0593 -0.0224 0.074 Uiso 1 1 calc R . .
H73B H 0.5871 0.0921 -0.0654 0.074 Uiso 1 1 calc R . .
H73C H 0.4838 0.1147 -0.0836 0.074 Uiso 1 1 calc R . .
C83 C 0.3797(3) 0.2860(2) 0.1142(2) 0.0390(9) Uani 1 1 d . . .
H83A H 0.3962 0.3317 0.1396 0.059 Uiso 1 1 calc R . .
H83B H 0.3596 0.2456 0.1444 0.059 Uiso 1 1 calc R . .
H83C H 0.3299 0.2984 0.0835 0.059 Uiso 1 1 calc R . .
C15 C 0.7382(12) 0.2274(6) 0.3406(5) 0.120(2) Uani 0.50 1 d PD B -1
H15 H 0.7329 0.2176 0.3866 0.144 Uiso 0.50 1 calc PR B -1
C25 C 0.6604(12) 0.2264(6) 0.3016(7) 0.120(2) Uani 0.50 1 d PD B -1
H25 H 0.6020 0.2159 0.3204 0.144 Uiso 0.50 1 calc PR B -1
C35 C 0.6690(14) 0.2409(11) 0.2355(6) 0.120(2) Uani 0.50 1 d PD B -1
H35 H 0.6163 0.2405 0.2078 0.144 Uiso 0.50 1 calc PR B -1
C45 C 0.7549(16) 0.2561(15) 0.2087(4) 0.120(2) Uani 0.50 1 d PD B -1
H45 H 0.7605 0.2658 0.1627 0.144 Uiso 0.50 1 calc PR B -1
C55 C 0.8331(14) 0.2573(11) 0.2485(7) 0.120(2) Uani 0.50 1 d PD B -1
H55 H 0.8917 0.2682 0.2302 0.144 Uiso 0.50 1 calc PR B -1
C65 C 0.8234(12) 0.2424(6) 0.3141(7) 0.120(2) Uani 0.50 1 d PD B -1
H65 H 0.8760 0.2423 0.3419 0.144 Uiso 0.50 1 calc PR B -1
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'
Si Si 0.0817 0.0704 '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
C14 Fe1 C14 18.1(3) . 2
C14 Fe1 N11 120.17(18) . .
C14 Fe1 N11 135.52(19) 2 .
C14 Fe1 N21 147.63(18) . .
C14 Fe1 N21 131.51(18) 2 .
N11 Fe1 N21 92.13(12) . .
C14 Fe1 Fe1 41.54(19) . 2
C14 Fe1 Fe1 41.22(18) 2 2
N11 Fe1 Fe1 138.27(9) . 2
N21 Fe1 Fe1 112.56(8) . 2
Si1 C14 Fe1 118.3(3) . .
Si1 C14 Fe1 128.0(3) . 2
Fe1 C14 Fe1 97.2(3) . 2
Si1 C14 H14A 103.4 . .
Fe1 C14 H14A 103.4 . .
Fe1 C14 H14A 103.4 2 .
C14 Si1 C34 110.9(5) . .
C14 Si1 C44 111.5(4) . .
C34 Si1 C44 106.9(4) . .
C14 Si1 C24 114.0(3) . .
C34 Si1 C24 106.1(5) . .
C44 Si1 C24 107.0(5) . .
C21 N11 C12 120.1(3) . .
C21 N11 Fe1 121.6(2) . .
C12 N11 Fe1 117.8(2) . .
C41 N21 C13 118.2(3) . .
C41 N21 Fe1 122.7(2) . .
C13 N21 Fe1 119.1(2) . .
C21 C11 H11A 109.5 . .
C21 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C21 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N11 C21 C31 125.2(3) . .
N11 C21 C11 117.7(3) . .
C31 C21 C11 117.1(3) . .
C21 C31 C41 124.9(3) . .
C21 C31 C61 117.6(3) . .
C41 C31 C61 117.3(3) . .
N21 C41 C31 124.2(3) . .
N21 C41 C51 118.3(3) . .
C31 C41 C51 117.5(3) . .
C41 C51 H51A 109.5 . .
C41 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C41 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C31 C61 H61A 109.5 . .
C31 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C31 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C62 C12 C22 120.8(3) . .
C62 C12 N11 119.9(3) . .
C22 C12 N11 119.2(3) . .
C32 C22 C12 118.3(4) . .
C32 C22 C72 120.7(3) . .
C12 C22 C72 121.0(3) . .
C42 C32 C22 121.3(4) . .
C42 C32 H32A 119.3 . .
C22 C32 H32A 119.3 . .
C52 C42 C32 120.0(4) . .
C52 C42 H42A 120.0 . .
C32 C42 H42A 120.0 . .
C42 C52 C62 120.1(4) . .
C42 C52 H52A 119.9 . .
C62 C52 H52A 119.9 . .
C12 C62 C52 119.4(4) . .
C12 C62 C82 119.8(4) . .
C52 C62 C82 120.8(4) . .
C22 C72 H72A 109.5 . .
C22 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C22 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C62 C82 H82A 109.5 . .
C62 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C62 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C63 C13 C23 120.8(3) . .
C63 C13 N21 119.8(3) . .
C23 C13 N21 119.4(3) . .
C33 C23 C13 118.5(4) . .
C33 C23 C73 120.6(4) . .
C13 C23 C73 120.9(3) . .
C43 C33 C23 120.9(4) . .
C43 C33 H33A 119.6 . .
C23 C33 H33A 119.6 . .
C33 C43 C53 120.2(4) . .
C33 C43 H43A 119.9 . .
C53 C43 H43A 119.9 . .
C43 C53 C63 120.6(4) . .
C43 C53 H53A 119.7 . .
C63 C53 H53A 119.7 . .
C53 C63 C13 118.9(3) . .
C53 C63 C83 120.1(3) . .
C13 C63 C83 121.0(3) . .
C23 C73 H73A 109.5 . .
C23 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
C23 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
C63 C83 H83A 109.5 . .
C63 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C63 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C65 C15 C25 121.3(8) . .
C65 C15 H15 119.3 . .
C25 C15 H15 119.3 . .
C35 C25 C15 118.8(9) . .
C35 C25 H25 120.6 . .
C15 C25 H25 120.6 . .
C25 C35 C45 119.9(9) . .
C25 C35 H35 120.0 . .
C45 C35 H35 120.0 . .
C35 C45 C55 120.9(8) . .
C35 C45 H45 119.5 . .
C55 C45 H45 119.5 . .
C65 C55 C45 118.4(9) . .
C65 C55 H55 120.8 . .
C45 C55 H55 120.8 . .
C55 C65 C15 120.7(9) . .
C55 C65 H65 119.7 . .
C15 C65 H65 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C14 1.961(6) .
Fe1 C14 1.973(6) 2
Fe1 N11 1.984(3) .
Fe1 N21 2.002(3) .
Fe1 Fe1 2.9515(12) 2
C14 Si1 1.831(7) .
C14 Fe1 1.973(6) 2
C14 H14A 1.0000 .
Si1 C34 1.861(8) .
Si1 C44 1.862(8) .
Si1 C24 1.866(6) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
N11 C21 1.334(5) .
N11 C12 1.427(5) .
N21 C41 1.339(4) .
N21 C13 1.437(4) .
C11 C21 1.517(5) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C21 C31 1.406(5) .
C31 C41 1.410(5) .
C31 C61 1.522(5) .
C41 C51 1.512(5) .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C12 C62 1.391(6) .
C12 C22 1.395(5) .
C22 C32 1.394(5) .
C22 C72 1.492(6) .
C32 C42 1.378(6) .
C32 H32A 0.9500 .
C42 C52 1.378(6) .
C42 H42A 0.9500 .
C52 C62 1.398(6) .
C52 H52A 0.9500 .
C62 C82 1.517(6) .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C13 C63 1.397(5) .
C13 C23 1.401(5) .
C23 C33 1.394(5) .
C23 C73 1.494(6) .
C33 C43 1.374(6) .
C33 H33A 0.9500 .
C43 C53 1.383(6) .
C43 H43A 0.9500 .
C53 C63 1.388(5) .
C53 H53A 0.9500 .
C63 C83 1.506(5) .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C15 C65 1.378(9) .
C15 C25 1.382(9) .
C15 H15 0.9500 .
C25 C35 1.369(9) .
C25 H25 0.9500 .
C35 C45 1.390(9) .
C35 H35 0.9500 .
C45 C55 1.395(9) .
C45 H45 0.9500 .
C55 C65 1.361(9) .
C55 H55 0.9500 .
C65 H65 0.9500 .
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
C14 Fe1 C14 Si1 62.1(6) 2 .
N11 Fe1 C14 Si1 -89.1(3) . .
N21 Fe1 C14 Si1 95.1(5) . .
Fe1 Fe1 C14 Si1 140.6(4) 2 .
C14 Fe1 C14 Fe1 -78.6(7) 2 2
N11 Fe1 C14 Fe1 130.22(17) . 2
N21 Fe1 C14 Fe1 -45.6(4) . 2
Fe1 C14 Si1 C34 76.5(5) . .
Fe1 C14 Si1 C34 -156.5(5) 2 .
Fe1 C14 Si1 C44 -164.5(6) . .
Fe1 C14 Si1 C44 -37.5(6) 2 .
Fe1 C14 Si1 C24 -43.2(5) . .
Fe1 C14 Si1 C24 83.8(5) 2 .
C14 Fe1 N11 C21 -148.2(3) . .
C14 Fe1 N11 C21 -160.6(3) 2 .
N21 Fe1 N11 C21 29.5(3) . .
Fe1 Fe1 N11 C21 -98.7(3) 2 .
C14 Fe1 N11 C12 23.8(4) . .
C14 Fe1 N11 C12 11.5(4) 2 .
N21 Fe1 N11 C12 -158.4(3) . .
Fe1 Fe1 N11 C12 73.4(3) 2 .
C14 Fe1 N21 C41 152.2(4) . .
C14 Fe1 N21 C41 165.3(3) 2 .
N11 Fe1 N21 C41 -24.1(3) . .
Fe1 Fe1 N21 C41 121.4(2) 2 .
C14 Fe1 N21 C13 -27.5(5) . .
C14 Fe1 N21 C13 -14.4(4) 2 .
N11 Fe1 N21 C13 156.1(3) . .
Fe1 Fe1 N21 C13 -58.4(3) 2 .
C12 N11 C21 C31 171.1(4) . .
Fe1 N11 C21 C31 -17.0(5) . .
C12 N11 C21 C11 -8.1(5) . .
Fe1 N11 C21 C11 163.8(3) . .
N11 C21 C31 C41 -12.6(6) . .
C11 C21 C31 C41 166.6(4) . .
N11 C21 C31 C61 172.6(4) . .
C11 C21 C31 C61 -8.2(5) . .
C13 N21 C41 C31 -175.0(3) . .
Fe1 N21 C41 C31 5.3(5) . .
C13 N21 C41 C51 2.5(5) . .
Fe1 N21 C41 C51 -177.3(2) . .
C21 C31 C41 N21 19.0(6) . .
C61 C31 C41 N21 -166.1(3) . .
C21 C31 C41 C51 -158.4(4) . .
C61 C31 C41 C51 16.5(5) . .
C21 N11 C12 C62 96.4(4) . .
Fe1 N11 C12 C62 -75.7(4) . .
C21 N11 C12 C22 -86.0(4) . .
Fe1 N11 C12 C22 101.8(3) . .
C62 C12 C22 C32 -1.5(5) . .
N11 C12 C22 C32 -178.9(3) . .
C62 C12 C22 C72 178.5(4) . .
N11 C12 C22 C72 1.0(5) . .
C12 C22 C32 C42 0.7(5) . .
C72 C22 C32 C42 -179.3(4) . .
C22 C32 C42 C52 0.8(6) . .
C32 C42 C52 C62 -1.6(6) . .
C22 C12 C62 C52 0.7(6) . .
N11 C12 C62 C52 178.2(3) . .
C22 C12 C62 C82 178.3(4) . .
N11 C12 C62 C82 -4.2(6) . .
C42 C52 C62 C12 0.8(6) . .
C42 C52 C62 C82 -176.7(4) . .
C41 N21 C13 C63 -84.7(4) . .
Fe1 N21 C13 C63 95.1(3) . .
C41 N21 C13 C23 95.7(4) . .
Fe1 N21 C13 C23 -84.6(4) . .
C63 C13 C23 C33 3.3(5) . .
N21 C13 C23 C33 -177.1(3) . .
C63 C13 C23 C73 -177.8(3) . .
N21 C13 C23 C73 1.9(5) . .
C13 C23 C33 C43 -0.5(6) . .
C73 C23 C33 C43 -179.5(4) . .
C23 C33 C43 C53 -1.6(6) . .
C33 C43 C53 C63 0.9(6) . .
C43 C53 C63 C13 1.8(6) . .
C43 C53 C63 C83 -178.4(4) . .
C23 C13 C63 C53 -3.9(5) . .
N21 C13 C63 C53 176.5(3) . .
C23 C13 C63 C83 176.3(3) . .
N21 C13 C63 C83 -3.4(5) . .
C65 C15 C25 C35 -0.2(3) . .
C15 C25 C35 C45 0.1(3) . .
C25 C35 C45 C55 -0.3(7) . .
C35 C45 C55 C65 0.7(9) . .
C45 C55 C65 C15 -0.8(8) . .
C25 C15 C65 C55 0.5(7) . .
