#------------------------------------------------------------------------------
#$Date: 2019-03-05 09:52:05 +0100 (mar 05 de mar de 2019) $
#$Revision: 213973 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/23/7012375.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_7012375
loop_
_publ_author_name
'Evans, David J.'
'Hill, Michael S.'
'Hitchcock, Peter B.'
_publ_section_title
;
 Tuning low-coordinate metal environments: high spin d5--d7 complexes
 supported by bis(phosphinimino)methyl ligation
;
_journal_issue                   4
_journal_name_full               'Dalton Transactions'
_journal_page_first              570
_journal_paper_doi               10.1039/b210467a
_journal_year                    2003
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C49 H61 Fe N3 P2 Si2'
_chemical_formula_sum            'C49 H61 Fe N3 P2 Si2'
_chemical_formula_weight         865.98
_chemical_name_common            '[Fe{N(SiMe3)2}{MesNPPh2CHPPh2NMes}]'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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      2.2
_audit_creation_date             2002-04-08T11:40:56-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 94.420(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9774(3)
_cell_length_b                   18.4685(4)
_cell_length_c                   21.5940(7)
_cell_measurement_reflns_used    13569
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.986
_cell_measurement_theta_min      3.705
_cell_measurement_wavelength     0.71073
_cell_volume                     4762.5(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.82311E-1
_diffrn_orient_matrix_UB_12      0.98156E-2
_diffrn_orient_matrix_UB_13      0.20774E-2
_diffrn_orient_matrix_UB_21      0.107199E-1
_diffrn_orient_matrix_UB_22      -0.299292E-1
_diffrn_orient_matrix_UB_23      0.385919E-1
_diffrn_orient_matrix_UB_31      0.110597E-1
_diffrn_orient_matrix_UB_32      -0.440422E-1
_diffrn_orient_matrix_UB_33      -0.257624E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0783
_diffrn_reflns_av_unetI/netI     0.0533
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24917
_diffrn_reflns_theta_full        23.04
_diffrn_reflns_theta_max         23.04
_diffrn_reflns_theta_min         3.72
_exptl_absorpt_coefficient_mu    0.47
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_correction_T_min  0.907
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.242
_refine_diff_density_min         -0.287
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         6580
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.049
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0368P)²+5.2924P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1115
_reflns_number_gt                5041
_reflns_number_total             6580
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210467a.txt
_cod_data_source_block           apr202
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7012375
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Fe Fe 0.69167(4) 0.23796(3) 0.10559(2) 0.02951(15) Uani 1 1 d . . .
P1 P 0.93947(7) 0.24142(5) 0.15823(4) 0.0284(2) Uani 1 1 d . . .
P2 P 0.87670(7) 0.24026(5) 0.01294(4) 0.0292(2) Uani 1 1 d . . .
Si1 Si 0.44860(9) 0.27567(6) 0.13457(5) 0.0451(3) Uani 1 1 d . . .
Si2 Si 0.50401(10) 0.11830(6) 0.11515(6) 0.0510(3) Uani 1 1 d . . .
N1 N 0.8106(2) 0.25913(15) 0.17277(12) 0.0315(7) Uani 1 1 d . . .
N2 N 0.7518(2) 0.26715(15) 0.02557(13) 0.0315(7) Uani 1 1 d . . .
N3 N 0.5405(2) 0.20806(16) 0.11817(14) 0.0351(7) Uani 1 1 d . . .
C1 C 0.9486(3) 0.2193(2) 0.08190(16) 0.0324(8) Uani 1 1 d . . .
H1 H 0.998(3) 0.187(2) 0.0784(18) 0.049(12) Uiso 1 1 d . . .
C2 C 1.0280(3) 0.31538(18) 0.18819(16) 0.0315(8) Uani 1 1 d . . .
C3 C 1.0757(3) 0.36205(19) 0.14702(18) 0.0401(9) Uani 1 1 d . . .
H3 H 1.0648 0.3538 0.1035 0.048 Uiso 1 1 calc R . .
C4 C 1.1393(3) 0.4208(2) 0.1695(2) 0.0504(11) Uani 1 1 d . . .
H4 H 1.1711 0.4527 0.1413 0.06 Uiso 1 1 calc R . .
C5 C 1.1565(3) 0.4329(2) 0.2322(2) 0.0500(11) Uani 1 1 d . . .
H5 H 1.2013 0.4725 0.2472 0.06 Uiso 1 1 calc R . .
C6 C 1.1087(3) 0.3875(2) 0.27340(19) 0.0457(10) Uani 1 1 d . . .
H6 H 1.1196 0.3965 0.3168 0.055 Uiso 1 1 calc R . .
C7 C 1.0448(3) 0.32871(19) 0.25196(17) 0.0375(9) Uani 1 1 d . . .
H7 H 1.0125 0.2975 0.2806 0.045 Uiso 1 1 calc R . .
C8 C 0.9991(3) 0.16189(19) 0.19973(15) 0.0310(8) Uani 1 1 d . . .
C9 C 0.9421(3) 0.09662(19) 0.19086(17) 0.0385(9) Uani 1 1 d . . .
H9 H 0.8758 0.095 0.1638 0.046 Uiso 1 1 calc R . .
C10 C 0.9797(3) 0.0344(2) 0.22049(18) 0.0429(10) Uani 1 1 d . . .
H10 H 0.9394 -0.0096 0.2139 0.052 Uiso 1 1 calc R . .
C11 C 1.0758(4) 0.0360(2) 0.25971(19) 0.0483(11) Uani 1 1 d . . .
H11 H 1.1007 -0.0064 0.2814 0.058 Uiso 1 1 calc R . .
C12 C 1.1352(3) 0.0990(2) 0.26731(19) 0.0489(11) Uani 1 1 d . . .
H12 H 1.2029 0.0996 0.2933 0.059 Uiso 1 1 calc R . .
C13 C 1.0980(3) 0.1622(2) 0.23759(18) 0.0415(9) Uani 1 1 d . . .
H13 H 1.1403 0.2056 0.2432 0.05 Uiso 1 1 calc R . .
C14 C 0.9469(3) 0.30551(19) -0.03450(16) 0.0339(9) Uani 1 1 d . . .
C15 C 0.8941(3) 0.3392(2) -0.08709(18) 0.0426(10) Uani 1 1 d . . .
H15 H 0.8191 0.3271 -0.1006 0.051 Uiso 1 1 calc R . .
C16 C 0.9519(4) 0.3906(2) -0.1195(2) 0.0517(11) Uani 1 1 d . . .
H16 H 0.9161 0.4135 -0.1551 0.062 Uiso 1 1 calc R . .
C17 C 1.0606(4) 0.4083(2) -0.1001(2) 0.0561(12) Uani 1 1 d . . .
H17 H 1.0988 0.4446 -0.1213 0.067 Uiso 1 1 calc R . .
C18 C 1.1136(4) 0.3736(2) -0.0502(2) 0.0558(12) Uani 1 1 d . . .
H18 H 1.1893 0.3851 -0.0378 0.067 Uiso 1 1 calc R . .
C19 C 1.0586(3) 0.3223(2) -0.01793(18) 0.0418(10) Uani 1 1 d . . .
H19 H 1.0973 0.298 0.0161 0.05 Uiso 1 1 calc R . .
C20 C 0.8790(3) 0.15766(19) -0.03362(16) 0.0318(8) Uani 1 1 d . . .
C21 C 0.8847(3) 0.1583(2) -0.09753(17) 0.0429(10) Uani 1 1 d . . .
H21 H 0.8942 0.203 -0.1183 0.051 Uiso 1 1 calc R . .
C22 C 0.8766(4) 0.0944(2) -0.13143(18) 0.0501(11) Uani 1 1 d . . .
H22 H 0.8803 0.0956 -0.1752 0.06 Uiso 1 1 calc R . .
C23 C 0.8633(4) 0.0291(2) -0.1018(2) 0.0503(11) Uani 1 1 d . . .
H23 H 0.8577 -0.0146 -0.125 0.06 Uiso 1 1 calc R . .
C24 C 0.8581(4) 0.0277(2) -0.03831(19) 0.0494(11) Uani 1 1 d . . .
H24 H 0.8493 -0.0171 -0.0177 0.059 Uiso 1 1 calc R . .
C25 C 0.8656(3) 0.0913(2) -0.00447(18) 0.0430(10) Uani 1 1 d . . .
H25 H 0.8617 0.0897 0.0393 0.052 Uiso 1 1 calc R . .
C26 C 0.7817(3) 0.2894(2) 0.23114(16) 0.0345(9) Uani 1 1 d . . .
C27 C 0.7845(3) 0.3646(2) 0.24205(17) 0.0378(9) Uani 1 1 d . . .
C28 C 0.7563(3) 0.3908(2) 0.29909(19) 0.0474(10) Uani 1 1 d . . .
H28 H 0.761 0.4414 0.3067 0.057 Uiso 1 1 calc R . .
C29 C 0.7215(3) 0.3461(3) 0.34518(18) 0.0502(11) Uani 1 1 d . . .
C30 C 0.7134(3) 0.2729(3) 0.33245(18) 0.0487(11) Uani 1 1 d . . .
H30 H 0.6872 0.2416 0.3631 0.058 Uiso 1 1 calc R . .
C31 C 0.7420(3) 0.2429(2) 0.27644(17) 0.0410(9) Uani 1 1 d . . .
C32 C 0.8142(4) 0.4188(2) 0.19418(19) 0.0513(11) Uani 1 1 d . . .
H32C H 0.887 0.4406 0.2069 0.077 Uiso 1 1 calc R . .
H32B H 0.7569 0.4567 0.1903 0.077 Uiso 1 1 calc R . .
H32A H 0.8182 0.3945 0.1541 0.077 Uiso 1 1 calc R . .
C33 C 0.6925(4) 0.3770(3) 0.4070(2) 0.0728(15) Uani 1 1 d . . .
H33A H 0.7036 0.4295 0.4071 0.109 Uiso 0.5 1 calc PR . .
H33B H 0.741 0.3552 0.4406 0.109 Uiso 0.5 1 calc PR . .
H33C H 0.6141 0.3662 0.4134 0.109 Uiso 0.5 1 calc PR . .
H33D H 0.6689 0.3377 0.4336 0.109 Uiso 0.5 1 calc PR . .
H33E H 0.6314 0.4121 0.4001 0.109 Uiso 0.5 1 calc PR . .
H33F H 0.7584 0.4011 0.4273 0.109 Uiso 0.5 1 calc PR . .
C34 C 0.7255(4) 0.1645(2) 0.2650(2) 0.0629(13) Uani 1 1 d . . .
H34C H 0.7984 0.1402 0.2668 0.094 Uiso 1 1 calc R . .
H34B H 0.6865 0.1572 0.2239 0.094 Uiso 1 1 calc R . .
H34A H 0.6806 0.1441 0.2969 0.094 Uiso 1 1 calc R . .
C35 C 0.6757(3) 0.30884(19) -0.01503(15) 0.0313(8) Uani 1 1 d . . .
C36 C 0.6778(3) 0.3850(2) -0.01335(16) 0.0376(9) Uani 1 1 d . . .
C37 C 0.5931(3) 0.4234(2) -0.04627(18) 0.0461(10) Uani 1 1 d . . .
H37 H 0.5946 0.4748 -0.0448 0.055 Uiso 1 1 calc R . .
C38 C 0.5069(3) 0.3897(2) -0.08104(18) 0.0476(11) Uani 1 1 d . . .
C39 C 0.5085(3) 0.3153(2) -0.08406(17) 0.0448(10) Uani 1 1 d . . .
H39 H 0.4511 0.2914 -0.109 0.054 Uiso 1 1 calc R . .
C40 C 0.5909(3) 0.2737(2) -0.05202(16) 0.0363(9) Uani 1 1 d . . .
C41 C 0.7699(4) 0.4260(2) 0.0243(2) 0.0534(11) Uani 1 1 d . . .
H41C H 0.7363 0.4591 0.0531 0.08 Uiso 1 1 calc R . .
H41B H 0.814 0.4538 -0.0038 0.08 Uiso 1 1 calc R . .
H41A H 0.8188 0.3916 0.0479 0.08 Uiso 1 1 calc R . .
C42 C 0.4125(4) 0.4332(3) -0.1131(2) 0.0690(14) Uani 1 1 d . . .
H42A H 0.3592 0.4004 -0.1355 0.104 Uiso 0.5 1 calc PR . .
H42B H 0.4428 0.467 -0.1425 0.104 Uiso 0.5 1 calc PR . .
H42C H 0.3741 0.4604 -0.0821 0.104 Uiso 0.5 1 calc PR . .
H42D H 0.4249 0.4848 -0.1046 0.104 Uiso 0.5 1 calc PR . .
H42E H 0.3413 0.4182 -0.0976 0.104 Uiso 0.5 1 calc PR . .
H42F H 0.41 0.4247 -0.158 0.104 Uiso 0.5 1 calc PR . .
C43 C 0.5863(4) 0.1927(2) -0.0563(2) 0.0504(11) Uani 1 1 d . . .
H43C H 0.6524 0.1749 -0.0756 0.076 Uiso 1 1 calc R . .
H43B H 0.5185 0.1781 -0.0815 0.076 Uiso 1 1 calc R . .
H43A H 0.5849 0.1721 -0.0145 0.076 Uiso 1 1 calc R . .
C44 C 0.5118(6) 0.3658(3) 0.1268(4) 0.135(3) Uani 1 1 d . . .
H44C H 0.5514 0.3674 0.0888 0.202 Uiso 1 1 calc R . .
H44B H 0.5648 0.3751 0.1628 0.202 Uiso 1 1 calc R . .
H44A H 0.4529 0.4027 0.1247 0.202 Uiso 1 1 calc R . .
C45 C 0.3224(7) 0.2756(5) 0.0803(4) 0.204(6) Uani 1 1 d . . .
H45C H 0.2678 0.2412 0.0947 0.306 Uiso 1 1 calc R . .
H45B H 0.3425 0.2614 0.0389 0.306 Uiso 1 1 calc R . .
H45A H 0.2896 0.3243 0.0784 0.306 Uiso 1 1 calc R . .
C46 C 0.4078(7) 0.2730(4) 0.2150(3) 0.131(3) Uani 1 1 d . . .
H46C H 0.4749 0.2683 0.2436 0.197 Uiso 1 1 calc R . .
H46B H 0.3583 0.2315 0.22 0.197 Uiso 1 1 calc R . .
H46A H 0.3684 0.3178 0.224 0.197 Uiso 1 1 calc R . .
C47 C 0.3953(5) 0.0961(3) 0.0517(3) 0.110(2) Uani 1 1 d . . .
H47C H 0.4166 0.1171 0.0126 0.165 Uiso 1 1 calc R . .
H47B H 0.3231 0.1162 0.0617 0.165 Uiso 1 1 calc R . .
H47A H 0.3889 0.0435 0.0474 0.165 Uiso 1 1 calc R . .
C48 C 0.4479(6) 0.0852(3) 0.1882(3) 0.113(3) Uani 1 1 d . . .
H48C H 0.3728 0.105 0.1916 0.169 Uiso 1 1 calc R . .
H48B H 0.4974 0.1009 0.2239 0.169 Uiso 1 1 calc R . .
H48A H 0.4441 0.0322 0.1875 0.169 Uiso 1 1 calc R . .
C49 C 0.6265(4) 0.0607(2) 0.1011(3) 0.0665(13) Uani 1 1 d . . .
H49C H 0.686 0.0688 0.1341 0.1 Uiso 1 1 calc R . .
H49B H 0.654 0.0732 0.0609 0.1 Uiso 1 1 calc R . .
H49A H 0.6042 0.0096 0.1009 0.1 Uiso 1 1 calc R . .
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 0 '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'
N N 0.0061 0.0033 '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'
Si Si 0.0817 0.0704 '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
N3 Fe N1 125.37(12) . . ?
N3 Fe N2 127.09(12) . . ?
N1 Fe N2 106.99(11) . . ?
N1 P1 C1 111.40(16) . . ?
N1 P1 C2 108.38(15) . . ?
C1 P1 C2 116.37(17) . . ?
N1 P1 C8 113.85(15) . . ?
C1 P1 C8 103.17(17) . . ?
C2 P1 C8 103.50(16) . . ?
N2 P2 C1 109.46(16) . . ?
N2 P2 C14 111.30(15) . . ?
C1 P2 C14 114.57(18) . . ?
N2 P2 C20 113.67(15) . . ?
C1 P2 C20 105.22(17) . . ?
C14 P2 C20 102.41(16) . . ?
N3 Si1 C44 111.3(2) . . ?
N3 Si1 C46 113.3(2) . . ?
C44 Si1 C46 104.5(4) . . ?
N3 Si1 C45 112.1(2) . . ?
C44 Si1 C45 105.4(5) . . ?
C46 Si1 C45 109.6(5) . . ?
N3 Si2 C49 110.99(18) . . ?
N3 Si2 C47 113.7(2) . . ?
C49 Si2 C47 105.7(3) . . ?
N3 Si2 C48 113.1(2) . . ?
C49 Si2 C48 106.9(3) . . ?
C47 Si2 C48 105.8(3) . . ?
C26 N1 P1 122.6(2) . . ?
C26 N1 Fe 120.4(2) . . ?
P1 N1 Fe 117.02(15) . . ?
C35 N2 P2 127.7(2) . . ?
C35 N2 Fe 114.7(2) . . ?
P2 N2 Fe 117.54(15) . . ?
Si2 N3 Si1 123.02(18) . . ?
Si2 N3 Fe 120.66(16) . . ?
Si1 N3 Fe 116.30(16) . . ?
P2 C1 P1 136.2(2) . . ?
C3 C2 C7 119.0(3) . . ?
C3 C2 P1 119.7(3) . . ?
C7 C2 P1 121.3(3) . . ?
C4 C3 C2 120.0(4) . . ?
C5 C4 C3 120.6(4) . . ?
C4 C5 C6 119.9(4) . . ?
C5 C6 C7 120.4(4) . . ?
C6 C7 C2 120.0(4) . . ?
C13 C8 C9 118.2(3) . . ?
C13 C8 P1 124.5(3) . . ?
C9 C8 P1 117.2(3) . . ?
C10 C9 C8 121.4(4) . . ?
C9 C10 C11 119.8(4) . . ?
C12 C11 C10 119.7(4) . . ?
C11 C12 C13 120.9(4) . . ?
C8 C13 C12 119.9(4) . . ?
C19 C14 C15 118.2(3) . . ?
C19 C14 P2 118.5(3) . . ?
C15 C14 P2 123.2(3) . . ?
C16 C15 C14 119.9(4) . . ?
C17 C16 C15 120.1(4) . . ?
C18 C17 C16 120.1(4) . . ?
C17 C18 C19 120.7(4) . . ?
C18 C19 C14 120.8(4) . . ?
C21 C20 C25 118.3(3) . . ?
C21 C20 P2 122.9(3) . . ?
C25 C20 P2 118.6(3) . . ?
C20 C21 C22 120.7(4) . . ?
C23 C22 C21 120.3(4) . . ?
C24 C23 C22 119.6(4) . . ?
C23 C24 C25 120.3(4) . . ?
C24 C25 C20 120.9(4) . . ?
C27 C26 C31 119.2(3) . . ?
C27 C26 N1 121.6(3) . . ?
C31 C26 N1 119.0(3) . . ?
C28 C27 C26 119.2(4) . . ?
C28 C27 C32 117.7(4) . . ?
C26 C27 C32 123.1(3) . . ?
C29 C28 C27 122.5(4) . . ?
C30 C29 C28 117.5(4) . . ?
C30 C29 C33 121.7(4) . . ?
C28 C29 C33 120.7(4) . . ?
C29 C30 C31 122.8(4) . . ?
C30 C31 C26 118.5(4) . . ?
C30 C31 C34 119.6(4) . . ?
C26 C31 C34 121.9(3) . . ?
C40 C35 C36 119.2(3) . . ?
C40 C35 N2 119.8(3) . . ?
C36 C35 N2 120.7(3) . . ?
C37 C36 C35 119.1(4) . . ?
C37 C36 C41 119.4(3) . . ?
C35 C36 C41 121.5(3) . . ?
C38 C37 C36 122.5(4) . . ?
C37 C38 C39 117.6(4) . . ?
C37 C38 C42 120.9(4) . . ?
C39 C38 C42 121.4(4) . . ?
C38 C39 C40 122.7(4) . . ?
C39 C40 C35 118.8(4) . . ?
C39 C40 C43 119.9(4) . . ?
C35 C40 C43 121.2(3) . . ?
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
Fe N3 1.932(3) . ?
Fe N1 1.992(3) . ?
Fe N2 1.997(3) . ?
P1 N1 1.632(3) . ?
P1 C1 1.710(4) . ?
P1 C2 1.817(4) . ?
P1 C8 1.836(3) . ?
P2 N2 1.620(3) . ?
P2 C1 1.706(4) . ?
P2 C14 1.828(4) . ?
P2 C20 1.828(3) . ?
Si1 N3 1.719(3) . ?
Si1 C44 1.841(6) . ?
Si1 C46 1.840(5) . ?
Si1 C45 1.840(6) . ?
Si2 N3 1.714(3) . ?
Si2 C49 1.856(5) . ?
Si2 C47 1.861(6) . ?
Si2 C48 1.865(5) . ?
N1 C26 1.445(4) . ?
N2 C35 1.438(4) . ?
C2 C3 1.392(5) . ?
C2 C7 1.398(5) . ?
C3 C4 1.391(5) . ?
C4 C5 1.371(6) . ?
C5 C6 1.379(6) . ?
C6 C7 1.387(5) . ?
C8 C13 1.387(5) . ?
C8 C9 1.391(5) . ?
C9 C10 1.374(5) . ?
C10 C11 1.376(6) . ?
C11 C12 1.368(6) . ?
C12 C13 1.388(5) . ?
C14 C19 1.393(5) . ?
C14 C15 1.402(5) . ?
C15 C16 1.395(5) . ?
C16 C17 1.377(6) . ?
C17 C18 1.365(6) . ?
C18 C19 1.374(5) . ?
C20 C21 1.387(5) . ?
C20 C25 1.393(5) . ?
C21 C22 1.389(5) . ?
C22 C23 1.380(6) . ?
C23 C24 1.377(6) . ?
C24 C25 1.383(5) . ?
C26 C27 1.408(5) . ?
C26 C31 1.412(5) . ?
C27 C28 1.389(5) . ?
C27 C32 1.502(5) . ?
C28 C29 1.382(6) . ?
C29 C30 1.381(6) . ?
C29 C33 1.517(6) . ?
C30 C31 1.396(5) . ?
C31 C34 1.481(6) . ?
C35 C40 1.402(5) . ?
C35 C36 1.407(5) . ?
C36 C37 1.388(5) . ?
C36 C41 1.521(5) . ?
C37 C38 1.377(6) . ?
C38 C39 1.376(6) . ?
C38 C42 1.511(5) . ?
C39 C40 1.392(5) . ?
C40 C43 1.500(5) . ?
