# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_NHSiFe
_database_code_depnum_ccdc_archive 'CCDC 1463752'
_audit_update_record             
;
2016-03-10 deposited with the CCDC.
2016-06-27 downloaded from the CCDC.
;
_audit_creation_date             2016-03-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        (NHSi)Fe(N{SiMe3}2)2
_chemical_formula_moiety         '2(C38 H72 Fe N4 Si5), C7 H8'
_chemical_formula_sum            'C83 H152 Fe2 N8 Si10'
_chemical_formula_weight         1654.72
_chemical_melting_point          ?
_chemical_oxdiff_formula         C83H152N8Si10Fe2
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'
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.3552(4)
_cell_length_b                   12.5187(4)
_cell_length_c                   18.5545(6)
_cell_angle_alpha                78.705(3)
_cell_angle_beta                 89.821(3)
_cell_angle_gamma                75.266(3)
_cell_volume                     2498.40(15)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    10489
_cell_measurement_temperature    150.01(13)
_cell_measurement_theta_max      27.2360
_cell_measurement_theta_min      3.6520
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.452
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.100
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             898
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_unetI/netI     0.0495
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            31256
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.305
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1428
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -88.00   12.00   1.0000   47.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -77.0000 -150.0000 100

#__ type_ start__ end____ width___ exp.time_
  2 omega  -91.00   26.00   1.0000   47.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -19.0000   30.0000 117

#__ type_ start__ end____ width___ exp.time_
  3 omega  -48.00   52.00   1.0000   47.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663   77.0000  -30.0000 100

#__ type_ start__ end____ width___ exp.time_
  4 omega  -94.00  -35.00   1.0000   47.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663 -178.0000  -60.0000 59

#__ type_ start__ end____ width___ exp.time_
  5 omega  -20.00   61.00   1.0000   47.5000
omega____ theta____ kappa____ phi______ frames
    -       18.7038  -99.0000  120.0000 81

#__ type_ start__ end____ width___ exp.time_
  6 omega  -94.00  -34.00   1.0000   47.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  178.0000  120.0000 60

#__ type_ start__ end____ width___ exp.time_
  7 omega  -87.00  -62.00   1.0000   47.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -57.0000 -120.0000 25

#__ type_ start__ end____ width___ exp.time_
  8 omega  -90.00    8.00   1.0000   47.5000
omega____ theta____ kappa____ phi______ frames
    -      -17.7663  -37.0000  -60.0000 98
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_orient_matrix_UB_11      -0.0546682000
_diffrn_orient_matrix_UB_12      -0.0034816000
_diffrn_orient_matrix_UB_13      -0.0166652000
_diffrn_orient_matrix_UB_21      0.0193579000
_diffrn_orient_matrix_UB_22      0.0210528000
_diffrn_orient_matrix_UB_23      -0.0350930000
_diffrn_orient_matrix_UB_31      0.0286088000
_diffrn_orient_matrix_UB_32      -0.0558792000
_diffrn_orient_matrix_UB_33      -0.0037564000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7910
_reflns_number_total             10197
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.522
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         10197
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0433
_refine_ls_restrained_S_all      1.044
_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)+(0.0358P)²+1.6763P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.1057
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C39, C40, C41, C42, C43, C44, C45
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
3. Uiso/Uaniso restraints and constraints
C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim C44 \\sim C45: within 1.7A
with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: C40(0.5) C41(0.5) H41(0.5) C42(0.5) H42(0.5) C43(0.5) H43(0.5)
 C44(0.5) H44(0.5) C39(0.5) H39(0.5) C45(0.5) H45A(0.5) H45B(0.5) H45C(0.5)
5.a Ternary CH refined with riding coordinates:
 C9(H9), C12(H12), C21(H21), C24(H24)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C5(H5), C6(H6), C7(H7), C17(H17), C18(H18), C19(H19),
 C41(H41), C42(H42), C43(H43), C44(H44), C39(H39)
5.c Fitted hexagon refined as free rotating group:
 C40(C41,C42,C43,C44,C39)
5.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C25(H25A,H25B,H25C), C26(H26A,
 H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C),
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,
 H37B,H37C), C38(H38A,H38B,H38C), C45(H45A,H45B,H45C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Fe1 Fe 0.96856(3) 0.18834(3) 0.25776(2) 0.02264(9) Uani 1 1 d . . . . .
Si1 Si 0.75141(5) 0.22808(5) 0.21358(3) 0.01933(13) Uani 1 1 d . . . . .
Si2 Si 0.98435(7) 0.32228(6) 0.38834(4) 0.03355(17) Uani 1 1 d . . . . .
Si3 Si 1.04141(6) 0.40831(5) 0.23144(4) 0.02678(15) Uani 1 1 d . . . . .
Si4 Si 1.09071(7) -0.06071(6) 0.31760(4) 0.03662(18) Uani 1 1 d . . . . .
Si5 Si 1.12728(6) 0.03036(6) 0.15784(4) 0.03515(18) Uani 1 1 d . . . . .
N1 N 0.64457(16) 0.33819(14) 0.15993(10) 0.0207(4) Uani 1 1 d . . . . .
N2 N 0.64579(16) 0.14901(14) 0.22343(10) 0.0211(4) Uani 1 1 d . . . . .
N3 N 0.98960(17) 0.31571(15) 0.29666(10) 0.0257(4) Uani 1 1 d . . . . .
N4 N 1.05870(17) 0.04303(15) 0.23924(11) 0.0276(4) Uani 1 1 d . . . . .
C1 C 0.5337(2) 0.31211(19) 0.15206(13) 0.0292(5) Uani 1 1 d . . . . .
H1 H 0.4659 0.3621 0.1254 0.035 Uiso 1 1 calc R . . . .
C2 C 0.5351(2) 0.20786(19) 0.18672(13) 0.0282(5) Uani 1 1 d . . . . .
H2 H 0.4684 0.1776 0.1863 0.034 Uiso 1 1 calc R . . . .
C3 C 0.65490(19) 0.44972(17) 0.12577(12) 0.0222(5) Uani 1 1 d . . . . .
C4 C 0.6084(2) 0.53864(18) 0.16188(12) 0.0260(5) Uani 1 1 d . . . . .
C5 C 0.6174(2) 0.64542(19) 0.12726(14) 0.0335(6) Uani 1 1 d . . . . .
H5 H 0.5878 0.7063 0.1499 0.040 Uiso 1 1 calc R . . . .
C6 C 0.6693(2) 0.6624(2) 0.06010(14) 0.0354(6) Uani 1 1 d . . . . .
H6 H 0.6745 0.7344 0.0380 0.043 Uiso 1 1 calc R . . . .
C7 C 0.7135(2) 0.5736(2) 0.02551(13) 0.0317(6) Uani 1 1 d . . . . .
H7 H 0.7481 0.5864 -0.0198 0.038 Uiso 1 1 calc R . . . .
C8 C 0.7073(2) 0.46477(18) 0.05720(12) 0.0249(5) Uani 1 1 d . . . . .
C9 C 0.5524(2) 0.5209(2) 0.23634(13) 0.0314(5) Uani 1 1 d . . . . .
H9 H 0.5299 0.4491 0.2433 0.038 Uiso 1 1 calc R . . . .
C10 C 0.4376(3) 0.6125(3) 0.24215(17) 0.0542(8) Uani 1 1 d . . . . .
H10A H 0.4582 0.6827 0.2405 0.081 Uiso 1 1 calc GR . . . .
H10B H 0.4009 0.5922 0.2878 0.081 Uiso 1 1 calc GR . . . .
H10C H 0.3811 0.6204 0.2019 0.081 Uiso 1 1 calc GR . . . .
C11 C 0.6459(3) 0.5107(3) 0.29707(15) 0.0485(7) Uani 1 1 d . . . . .
H11A H 0.7177 0.4528 0.2925 0.073 Uiso 1 1 calc GR . . . .
H11B H 0.6125 0.4916 0.3440 0.073 Uiso 1 1 calc GR . . . .
H11C H 0.6666 0.5813 0.2932 0.073 Uiso 1 1 calc GR . . . .
C12 C 0.7498(2) 0.36797(19) 0.01690(13) 0.0292(5) Uani 1 1 d . . . . .
H12 H 0.7835 0.2995 0.0541 0.035 Uiso 1 1 calc R . . . .
C13 C 0.6422(3) 0.3491(2) -0.02319(17) 0.0483(7) Uani 1 1 d . . . . .
H13A H 0.5820 0.3355 0.0114 0.072 Uiso 1 1 calc GR . . . .
H13B H 0.6698 0.2851 -0.0459 0.072 Uiso 1 1 calc GR . . . .
H13C H 0.6071 0.4148 -0.0603 0.072 Uiso 1 1 calc GR . . . .
C14 C 0.8492(3) 0.3824(2) -0.03684(14) 0.0410(6) Uani 1 1 d . . . . .
H14A H 0.8163 0.4441 -0.0771 0.061 Uiso 1 1 calc GR . . . .
H14B H 0.8786 0.3145 -0.0553 0.061 Uiso 1 1 calc GR . . . .
H14C H 0.9152 0.3978 -0.0120 0.061 Uiso 1 1 calc GR . . . .
C15 C 0.6612(2) 0.03436(18) 0.26229(12) 0.0230(5) Uani 1 1 d . . . . .
C16 C 0.6402(2) 0.01418(19) 0.33767(13) 0.0287(5) Uani 1 1 d . . . . .
C17 C 0.6522(3) -0.0972(2) 0.37311(15) 0.0420(7) Uani 1 1 d . . . . .
H17 H 0.6392 -0.1133 0.4231 0.050 Uiso 1 1 calc R . . . .
C18 C 0.6832(3) -0.1839(2) 0.33514(16) 0.0501(8) Uani 1 1 d . . . . .
H18 H 0.6897 -0.2576 0.3596 0.060 Uiso 1 1 calc R . . . .
C19 C 0.7046(3) -0.1622(2) 0.26171(16) 0.0440(7) Uani 1 1 d . . . . .
H19 H 0.7262 -0.2218 0.2371 0.053 Uiso 1 1 calc R . . . .
C20 C 0.6945(2) -0.05260(19) 0.22305(13) 0.0292(5) Uani 1 1 d . . . . .
C21 C 0.6030(2) 0.1098(2) 0.37933(14) 0.0377(6) Uani 1 1 d . . . . .
H21 H 0.6390 0.1702 0.3555 0.045 Uiso 1 1 calc R . . . .
C22 C 0.6474(3) 0.0776(3) 0.45968(14) 0.0456(7) Uani 1 1 d . . . . .
H22A H 0.6057 0.0254 0.4860 0.068 Uiso 1 1 calc GR . . . .
H22B H 0.6311 0.1440 0.4805 0.068 Uiso 1 1 calc GR . . . .
H22C H 0.7335 0.0432 0.4633 0.068 Uiso 1 1 calc GR . . . .
C23 C 0.4650(3) 0.1571(3) 0.37338(18) 0.0697(11) Uani 1 1 d . . . . .
H23A H 0.4382 0.1836 0.3225 0.105 Uiso 1 1 calc GR . . . .
H23B H 0.4429 0.2185 0.3989 0.105 Uiso 1 1 calc GR . . . .
H23C H 0.4269 0.0990 0.3950 0.105 Uiso 1 1 calc GR . . . .
C24 C 0.7188(2) -0.0298(2) 0.14170(14) 0.0358(6) Uani 1 1 d . . . . .
H24 H 0.7385 0.0433 0.1300 0.043 Uiso 1 1 calc R . . . .
C25 C 0.8281(3) -0.1183(3) 0.12277(17) 0.0517(8) Uani 1 1 d . . . . .
H25A H 0.8972 -0.1248 0.1546 0.077 Uiso 1 1 calc GR . . . .
H25B H 0.8470 -0.0958 0.0725 0.077 Uiso 1 1 calc GR . . . .
H25C H 0.8087 -0.1898 0.1294 0.077 Uiso 1 1 calc GR . . . .
C26 C 0.6070(3) -0.0214(3) 0.09381(16) 0.0496(7) Uani 1 1 d . . . . .
H26A H 0.5833 -0.0909 0.1055 0.074 Uiso 1 1 calc GR . . . .
H26B H 0.6259 -0.0072 0.0429 0.074 Uiso 1 1 calc GR . . . .
H26C H 0.5413 0.0392 0.1028 0.074 Uiso 1 1 calc GR . . . .
C27 C 0.8538(2) 0.2726(2) 0.43182(15) 0.0440(7) Uani 1 1 d . . . . .
H27A H 0.7785 0.3262 0.4130 0.066 Uiso 1 1 calc GR . . . .
H27B H 0.8612 0.2655 0.4842 0.066 Uiso 1 1 calc GR . . . .
H27C H 0.8546 0.2008 0.4206 0.066 Uiso 1 1 calc GR . . . .
C28 C 0.9622(3) 0.4693(3) 0.40427(17) 0.0601(9) Uani 1 1 d . . . . .
H28A H 1.0299 0.4978 0.3861 0.090 Uiso 1 1 calc GR . . . .
H28B H 0.9571 0.4686 0.4560 0.090 Uiso 1 1 calc GR . . . .
H28C H 0.8882 0.5169 0.3788 0.090 Uiso 1 1 calc GR . . . .
C29 C 1.1284(3) 0.2355(3) 0.44071(16) 0.0587(9) Uani 1 1 d . . . . .
H29A H 1.1422 0.1586 0.4354 0.088 Uiso 1 1 calc GR . . . .
H29B H 1.1216 0.2390 0.4918 0.088 Uiso 1 1 calc GR . . . .
H29C H 1.1955 0.2643 0.4219 0.088 Uiso 1 1 calc GR . . . .
C30 C 0.9517(3) 0.5583(2) 0.21717(16) 0.0466(7) Uani 1 1 d . . . . .
H30A H 0.8674 0.5632 0.2071 0.070 Uiso 1 1 calc GR . . . .
H30B H 0.9818 0.6020 0.1763 0.070 Uiso 1 1 calc GR . . . .
H30C H 0.9596 0.5871 0.2607 0.070 Uiso 1 1 calc GR . . . .
C31 C 1.0265(3) 0.3690(2) 0.14025(14) 0.0392(6) Uani 1 1 d . . . . .
H31A H 1.0766 0.2941 0.1415 0.059 Uiso 1 1 calc GR . . . .
H31B H 1.0524 0.4212 0.1025 0.059 Uiso 1 1 calc GR . . . .
H31C H 0.9430 0.3714 0.1300 0.059 Uiso 1 1 calc GR . . . .
C32 C 1.2046(2) 0.4031(3) 0.25016(17) 0.0523(8) Uani 1 1 d . . . . .
H32A H 1.2128 0.4263 0.2958 0.078 Uiso 1 1 calc GR . . . .
H32B H 1.2309 0.4529 0.2110 0.078 Uiso 1 1 calc GR . . . .
H32C H 1.2538 0.3275 0.2532 0.078 Uiso 1 1 calc GR . . . .
C33 C 0.9930(3) -0.0089(3) 0.39097(16) 0.0573(8) Uani 1 1 d . . . . .
H33A H 1.0131 0.0566 0.4016 0.086 Uiso 1 1 calc GR . . . .
H33B H 1.0067 -0.0669 0.4346 0.086 Uiso 1 1 calc GR . . . .
H33C H 0.9088 0.0103 0.3744 0.086 Uiso 1 1 calc GR . . . .
C34 C 1.0559(4) -0.1962(2) 0.30938(19) 0.0672(10) Uani 1 1 d . . . . .
H34A H 0.9739 -0.1809 0.2897 0.101 Uiso 1 1 calc GR . . . .
H34B H 1.0644 -0.2447 0.3571 0.101 Uiso 1 1 calc GR . . . .
H34C H 1.1115 -0.2325 0.2771 0.101 Uiso 1 1 calc GR . . . .
C35 C 1.2534(3) -0.0954(3) 0.35086(19) 0.0627(9) Uani 1 1 d . . . . .
H35A H 1.3049 -0.1252 0.3145 0.094 Uiso 1 1 calc GR . . . .
H35B H 1.2662 -0.1505 0.3960 0.094 Uiso 1 1 calc GR . . . .
H35C H 1.2727 -0.0284 0.3592 0.094 Uiso 1 1 calc GR . . . .
C36 C 1.0175(3) 0.1050(2) 0.07824(14) 0.0433(7) Uani 1 1 d . . . . .
H36A H 0.9422 0.0836 0.0857 0.065 Uiso 1 1 calc GR . . . .
H36B H 1.0513 0.0848 0.0338 0.065 Uiso 1 1 calc GR . . . .
H36C H 1.0025 0.1850 0.0743 0.065 Uiso 1 1 calc GR . . . .
C37 C 1.1855(3) -0.1180(3) 0.14436(19) 0.0614(9) Uani 1 1 d . . . . .
H37A H 1.2455 -0.1596 0.1828 0.092 Uiso 1 1 calc GR . . . .
H37B H 1.2217 -0.1175 0.0975 0.092 Uiso 1 1 calc GR . . . .
H37C H 1.1191 -0.1528 0.1459 0.092 Uiso 1 1 calc GR . . . .
C38 C 1.2647(3) 0.0887(3) 0.1509(2) 0.0667(10) Uani 1 1 d . . . . .
H38A H 1.2434 0.1625 0.1623 0.100 Uiso 1 1 calc GR . . . .
H38B H 1.2927 0.0932 0.1018 0.100 Uiso 1 1 calc GR . . . .
H38C H 1.3282 0.0400 0.1851 0.100 Uiso 1 1 calc GR . . . .
C40 C 0.5587(5) 0.5188(5) 0.5099(3) 0.0646(14) Uani 0.5 1 d . U P A -1
C41 C 0.5619(5) 0.4062(5) 0.5364(3) 0.080(2) Uani 0.5 1 d G U P A -1
H41 H 0.6302 0.3581 0.5637 0.096 Uiso 0.5 1 calc R . P A -1
C42 C 0.4632(7) 0.3655(4) 0.5221(4) 0.093(2) Uani 0.5 1 d G U P A -1
H42 H 0.4654 0.2902 0.5398 0.112 Uiso 0.5 1 calc R . P A -1
C43 C 0.3613(6) 0.4374(7) 0.4812(4) 0.104(3) Uani 0.5 1 d G U P A -1
H43 H 0.2953 0.4102 0.4716 0.125 Uiso 0.5 1 calc R . P A -1
C44 C 0.3581(5) 0.5500(6) 0.4548(3) 0.093(2) Uani 0.5 1 d G U P A -1
H44 H 0.2899 0.5981 0.4275 0.112 Uiso 0.5 1 calc R . P A -1
C39 C 0.4568(6) 0.5907(4) 0.4691(3) 0.073(2) Uani 0.5 1 d G U P A -1
H39 H 0.4546 0.6661 0.4514 0.088 Uiso 0.5 1 calc R . P A -1
C45 C 0.6665(11) 0.5507(11) 0.5280(8) 0.125(4) Uani 0.5 1 d . U P A -1
H45A H 0.6831 0.5307 0.5803 0.187 Uiso 0.5 1 calc GR . P A -1
H45B H 0.6538 0.6307 0.5119 0.187 Uiso 0.5 1 calc GR . P A -1
H45C H 0.7344 0.5121 0.5039 0.187 Uiso 0.5 1 calc GR . P A -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Fe1 Si1 2.4956(7) . ?
Fe1 N3 1.9407(18) . ?
Fe1 N4 1.9417(18) . ?
Si1 N1 1.7269(18) . ?
Si1 N2 1.7273(18) . ?
Si2 N3 1.719(2) . ?
Si2 C27 1.871(3) . ?
Si2 C28 1.875(3) . ?
Si2 C29 1.869(3) . ?
Si3 N3 1.7168(19) . ?
Si3 C30 1.862(3) . ?
Si3 C31 1.872(3) . ?
Si3 C32 1.869(3) . ?
Si4 N4 1.719(2) . ?
Si4 C33 1.864(3) . ?
Si4 C34 1.871(3) . ?
Si4 C35 1.864(3) . ?
Si5 N4 1.714(2) . ?
Si5 C36 1.867(3) . ?
Si5 C37 1.872(3) . ?
Si5 C38 1.878(3) . ?
N1 C1 1.393(3) . ?
N1 C3 1.450(3) . ?
N2 C2 1.387(3) . ?
N2 C15 1.442(3) . ?
C1 H1 0.9300 . ?
C1 C2 1.333(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.399(3) . ?
C3 C8 1.402(3) . ?
C4 C5 1.394(3) . ?
C4 C9 1.519(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.379(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.376(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.393(3) . ?
C8 C12 1.522(3) . ?
C9 H9 0.9800 . ?
C9 C10 1.521(3) . ?
C9 C11 1.515(4) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12 0.9800 . ?
C12 C13 1.524(3) . ?
C12 C14 1.525(3) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.402(3) . ?
C15 C20 1.399(3) . ?
C16 C17 1.393(3) . ?
C16 C21 1.520(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.379(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.369(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.395(3) . ?
C20 C24 1.518(3) . ?
C21 H21 0.9800 . ?
C21 C22 1.518(4) . ?
C21 C23 1.525(4) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24 0.9800 . ?
C24 C25 1.530(4) . ?
C24 C26 1.521(4) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C40 C41 1.3900 . ?
C40 C39 1.3900 . ?
C40 C45 1.440(10) . ?
C41 H41 0.9300 . ?
C41 C42 1.3900 . ?
C42 H42 0.9300 . ?
C42 C43 1.3900 . ?
C43 H43 0.9300 . ?
C43 C44 1.3900 . ?
C44 H44 0.9300 . ?
C44 C39 1.3900 . ?
C39 H39 0.9300 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?

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 Fe1 Si1 108.65(6) . . ?
N3 Fe1 N4 141.81(8) . . ?
N4 Fe1 Si1 109.51(6) . . ?
N1 Si1 Fe1 137.31(6) . . ?
N1 Si1 N2 89.25(8) . . ?
N2 Si1 Fe1 133.41(7) . . ?
N3 Si2 C27 111.64(11) . . ?
N3 Si2 C28 112.87(12) . . ?
N3 Si2 C29 111.52(12) . . ?
C27 Si2 C28 105.43(14) . . ?
C29 Si2 C27 108.44(14) . . ?
C29 Si2 C28 106.59(16) . . ?
N3 Si3 C30 115.51(11) . . ?
N3 Si3 C31 107.83(10) . . ?
N3 Si3 C32 112.34(11) . . ?
C30 Si3 C31 104.09(13) . . ?
C30 Si3 C32 107.93(14) . . ?
C32 Si3 C31 108.67(13) . . ?
N4 Si4 C33 108.08(12) . . ?
N4 Si4 C34 115.11(13) . . ?
N4 Si4 C35 112.20(14) . . ?
C33 Si4 C34 105.43(16) . . ?
C35 Si4 C33 108.38(16) . . ?
C35 Si4 C34 107.26(16) . . ?
N4 Si5 C36 110.46(11) . . ?
N4 Si5 C37 114.81(13) . . ?
N4 Si5 C38 111.04(14) . . ?
C36 Si5 C37 105.85(14) . . ?
C36 Si5 C38 109.59(16) . . ?
C37 Si5 C38 104.77(15) . . ?
C1 N1 Si1 112.24(14) . . ?
C1 N1 C3 118.53(17) . . ?
C3 N1 Si1 129.20(14) . . ?
C2 N2 Si1 112.20(14) . . ?
C2 N2 C15 119.50(18) . . ?
C15 N2 Si1 128.29(15) . . ?
Si2 N3 Fe1 124.08(11) . . ?
Si3 N3 Fe1 111.31(10) . . ?
Si3 N3 Si2 123.60(11) . . ?
Si4 N4 Fe1 112.96(10) . . ?
Si5 N4 Fe1 121.65(11) . . ?
Si5 N4 Si4 123.78(11) . . ?
N1 C1 H1 123.6 . . ?
C2 C1 N1 112.9(2) . . ?
C2 C1 H1 123.6 . . ?
N2 C2 H2 123.3 . . ?
C1 C2 N2 113.4(2) . . ?
C1 C2 H2 123.3 . . ?
C4 C3 N1 118.23(19) . . ?
C4 C3 C8 122.8(2) . . ?
C8 C3 N1 118.93(19) . . ?
C3 C4 C9 122.2(2) . . ?
C5 C4 C3 117.1(2) . . ?
C5 C4 C9 120.7(2) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 C4 121.2(2) . . ?
C6 C5 H5 119.4 . . ?
C5 C6 H6 119.8 . . ?
C7 C6 C5 120.4(2) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 119.4 . . ?
C6 C7 C8 121.2(2) . . ?
C8 C7 H7 119.4 . . ?
C3 C8 C12 121.69(19) . . ?
C7 C8 C3 117.2(2) . . ?
C7 C8 C12 121.0(2) . . ?
C4 C9 H9 107.6 . . ?
C4 C9 C10 113.2(2) . . ?
C10 C9 H9 107.6 . . ?
C11 C9 C4 110.1(2) . . ?
C11 C9 H9 107.6 . . ?
C11 C9 C10 110.6(2) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12 107.4 . . ?
C8 C12 C13 110.5(2) . . ?
C8 C12 C14 114.2(2) . . ?
C13 C12 H12 107.4 . . ?
C13 C12 C14 109.7(2) . . ?
C14 C12 H12 107.4 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 N2 118.88(19) . . ?
C20 C15 N2 118.69(19) . . ?
C20 C15 C16 122.4(2) . . ?
C15 C16 C21 121.7(2) . . ?
C17 C16 C15 117.5(2) . . ?
C17 C16 C21 120.8(2) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.0(2) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 119.8 . . ?
C19 C18 C17 120.5(2) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.3 . . ?
C18 C19 C20 121.4(2) . . ?
C20 C19 H19 119.3 . . ?
C15 C20 C24 121.9(2) . . ?
C19 C20 C15 117.3(2) . . ?
C19 C20 C24 120.8(2) . . ?
C16 C21 H21 107.5 . . ?
C16 C21 C23 110.3(2) . . ?
C22 C21 C16 114.1(2) . . ?
C22 C21 H21 107.5 . . ?
C22 C21 C23 109.8(2) . . ?
C23 C21 H21 107.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 H24 107.5 . . ?
C20 C24 C25 112.0(2) . . ?
C20 C24 C26 111.9(2) . . ?
C25 C24 H24 107.5 . . ?
C26 C24 H24 107.5 . . ?
C26 C24 C25 110.2(2) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si3 C30 H30A 109.5 . . ?
Si3 C30 H30B 109.5 . . ?
Si3 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si3 C31 H31A 109.5 . . ?
Si3 C31 H31B 109.5 . . ?
Si3 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si3 C32 H32A 109.5 . . ?
Si3 C32 H32B 109.5 . . ?
Si3 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si4 C33 H33A 109.5 . . ?
Si4 C33 H33B 109.5 . . ?
Si4 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si4 C34 H34A 109.5 . . ?
Si4 C34 H34B 109.5 . . ?
Si4 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si4 C35 H35A 109.5 . . ?
Si4 C35 H35B 109.5 . . ?
Si4 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si5 C36 H36A 109.5 . . ?
Si5 C36 H36B 109.5 . . ?
Si5 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si5 C37 H37A 109.5 . . ?
Si5 C37 H37B 109.5 . . ?
Si5 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si5 C38 H38A 109.5 . . ?
Si5 C38 H38B 109.5 . . ?
Si5 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C41 C40 C39 120.0 . . ?
C41 C40 C45 114.8(7) . . ?
C39 C40 C45 125.2(7) . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 120.0 . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 120.0 . . ?
C44 C43 C42 120.0 . . ?
C44 C43 H43 120.0 . . ?
C43 C44 H44 120.0 . . ?
C43 C44 C39 120.0 . . ?
C39 C44 H44 120.0 . . ?
C40 C39 H39 120.0 . . ?
C44 C39 C40 120.0 . . ?
C44 C39 H39 120.0 . . ?
C40 C45 H45A 109.5 . . ?
C40 C45 H45B 109.5 . . ?
C40 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Fe1 Si1 N1 C1 178.76(12) . . . . ?
Fe1 Si1 N1 C3 -3.2(2) . . . . ?
Fe1 Si1 N2 C2 -178.55(12) . . . . ?
Fe1 Si1 N2 C15 0.1(2) . . . . ?
Si1 N1 C1 C2 -0.8(3) . . . . ?
Si1 N1 C3 C4 -97.7(2) . . . . ?
Si1 N1 C3 C8 84.3(2) . . . . ?
Si1 N2 C2 C1 -0.1(3) . . . . ?
Si1 N2 C15 C16 87.2(2) . . . . ?
Si1 N2 C15 C20 -93.9(2) . . . . ?
N1 Si1 N2 C2 -0.29(16) . . . . ?
N1 Si1 N2 C15 178.36(19) . . . . ?
N1 C1 C2 N2 0.6(3) . . . . ?
N1 C3 C4 C5 -178.8(2) . . . . ?
N1 C3 C4 C9 2.4(3) . . . . ?
N1 C3 C8 C7 178.8(2) . . . . ?
N1 C3 C8 C12 1.9(3) . . . . ?
N2 Si1 N1 C1 0.62(16) . . . . ?
N2 Si1 N1 C3 178.68(19) . . . . ?
N2 C15 C16 C17 178.1(2) . . . . ?
N2 C15 C16 C21 -0.6(3) . . . . ?
N2 C15 C20 C19 -177.9(2) . . . . ?
N2 C15 C20 C24 2.0(3) . . . . ?
C1 N1 C3 C4 80.3(3) . . . . ?
C1 N1 C3 C8 -97.7(2) . . . . ?
C2 N2 C15 C16 -94.3(3) . . . . ?
C2 N2 C15 C20 84.6(3) . . . . ?
C3 N1 C1 C2 -179.1(2) . . . . ?
C3 C4 C5 C6 0.4(4) . . . . ?
C3 C4 C9 C10 -138.4(2) . . . . ?
C3 C4 C9 C11 97.2(3) . . . . ?
C3 C8 C12 C13 80.6(3) . . . . ?
C3 C8 C12 C14 -155.2(2) . . . . ?
C4 C3 C8 C7 0.9(3) . . . . ?
C4 C3 C8 C12 -176.0(2) . . . . ?
C4 C5 C6 C7 0.1(4) . . . . ?
C5 C4 C9 C10 42.8(3) . . . . ?
C5 C4 C9 C11 -81.5(3) . . . . ?
C5 C6 C7 C8 -0.1(4) . . . . ?
C6 C7 C8 C3 -0.3(3) . . . . ?
C6 C7 C8 C12 176.6(2) . . . . ?
C7 C8 C12 C13 -96.2(3) . . . . ?
C7 C8 C12 C14 28.0(3) . . . . ?
C8 C3 C4 C5 -0.9(3) . . . . ?
C8 C3 C4 C9 -179.7(2) . . . . ?
C9 C4 C5 C6 179.2(2) . . . . ?
C15 N2 C2 C1 -178.9(2) . . . . ?
C15 C16 C17 C18 -0.2(4) . . . . ?
C15 C16 C21 C22 -149.1(2) . . . . ?
C15 C16 C21 C23 86.8(3) . . . . ?
C15 C20 C24 C25 139.8(2) . . . . ?
C15 C20 C24 C26 -95.8(3) . . . . ?
C16 C15 C20 C19 1.0(4) . . . . ?
C16 C15 C20 C24 -179.1(2) . . . . ?
C16 C17 C18 C19 0.9(5) . . . . ?
C17 C16 C21 C22 32.3(3) . . . . ?
C17 C16 C21 C23 -91.9(3) . . . . ?
C17 C18 C19 C20 -0.7(5) . . . . ?
C18 C19 C20 C15 -0.3(4) . . . . ?
C18 C19 C20 C24 179.8(3) . . . . ?
C19 C20 C24 C25 -40.3(3) . . . . ?
C19 C20 C24 C26 84.1(3) . . . . ?
C20 C15 C16 C17 -0.8(4) . . . . ?
C20 C15 C16 C21 -179.5(2) . . . . ?
C21 C16 C17 C18 178.5(3) . . . . ?
C27 Si2 N3 Fe1 -44.59(16) . . . . ?
C27 Si2 N3 Si3 147.88(14) . . . . ?
C28 Si2 N3 Fe1 -163.15(15) . . . . ?
C28 Si2 N3 Si3 29.33(19) . . . . ?
C29 Si2 N3 Fe1 76.89(17) . . . . ?
C29 Si2 N3 Si3 -90.63(17) . . . . ?
C30 Si3 N3 Fe1 128.11(13) . . . . ?
C30 Si3 N3 Si2 -62.97(18) . . . . ?
C31 Si3 N3 Fe1 12.21(14) . . . . ?
C31 Si3 N3 Si2 -178.87(13) . . . . ?
C32 Si3 N3 Fe1 -107.51(14) . . . . ?
C32 Si3 N3 Si2 61.42(18) . . . . ?
C33 Si4 N4 Fe1 14.86(17) . . . . ?
C33 Si4 N4 Si5 -179.44(15) . . . . ?
C34 Si4 N4 Fe1 132.38(16) . . . . ?
C34 Si4 N4 Si5 -61.9(2) . . . . ?
C35 Si4 N4 Fe1 -104.58(14) . . . . ?
C35 Si4 N4 Si5 61.12(18) . . . . ?
C36 Si5 N4 Fe1 -50.12(16) . . . . ?
C36 Si5 N4 Si4 145.37(14) . . . . ?
C37 Si5 N4 Fe1 -169.71(14) . . . . ?
C37 Si5 N4 Si4 25.8(2) . . . . ?
C38 Si5 N4 Fe1 71.68(17) . . . . ?
C38 Si5 N4 Si4 -92.83(17) . . . . ?
C40 C41 C42 C43 0.0 . . . . ?
C41 C40 C39 C44 0.0 . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C43 C44 C39 0.0 . . . . ?
C43 C44 C39 C40 0.0 . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C45 C40 C41 C42 -179.7(9) . . . . ?
C45 C40 C39 C44 179.6(10) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_solvent_exptl_crystal_recrystallization_method Toluene
