#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:41:12 +0300 (Wed, 05 May 2021) $
#$Revision: 264903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/69/7706910.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_7706910
loop_
_publ_author_name
'Weller, Ruth'
'Müller, Igor'
'Duhayon, Carine'
'Sabo-Etienne, Sylviane'
'Bontemps, Sébastien'
'Werncke, C. Gunnar'
_publ_section_title
;
 Quasilinear 3d-metal(i) complexes
 [KM(N(Dipp)SiR₃)₂] (M = Cr-Co) - structural
 diversity, solution state behaviour and reactivity.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4890
_journal_page_last               4903
_journal_paper_doi               10.1039/d1dt00121c
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C30 H52 Fe N2 Si2, C4 H10 K O'
_chemical_formula_sum            'C34 H62 Fe K N2 O Si2'
_chemical_formula_weight         666.00
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_audit_update_record
;
2021-02-23 deposited with the CCDC.	2021-03-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.379(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.4002(6)
_cell_length_b                   16.5542(9)
_cell_length_c                   22.9563(13)
_cell_measurement_reflns_used    9602
_cell_measurement_temperature    100
_cell_measurement_theta_max      32
_cell_measurement_theta_min      2
_cell_volume                     3934.9(4)
_computing_cell_refinement       'Apex2 (Bruker AXS, 2006)'
_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'Apex2 (Bruker AXS, 2006)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SHELXS 86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.668
_diffrn_measured_fraction_theta_max 0.604
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Bruker Kappa Apex2'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            98693
_diffrn_reflns_theta_full        25.201
_diffrn_reflns_theta_max         32.729
_diffrn_reflns_theta_min         1.519
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.576
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_correction_T_min  0.83
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Siemens, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.124
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1444
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0570
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         7182
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.0015026
_refine_ls_shift/su_mean         0.0000561
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 0.168 0.152 0.703E-01 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0296
_refine_ls_wR_factor_ref         0.0296
_reflns_limit_h_max              15
_reflns_limit_h_min              -15
_reflns_limit_k_max              24
_reflns_limit_k_min              0
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                7182
_reflns_number_total             8758
_oxford_reflns_number_all        8740
_cod_data_source_file            d1dt00121c2.cif
_cod_data_source_block           3_K_Et2O_Fe
_cod_depositor_comments
'Adding full bibliography for 7706910--7706927.cif.'
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_original_formula_sum        'C34 H62 Fe1 K1 N2 O1 Si2'
_cod_database_code               7706910
_refine_reflns_threshold_expression I>3.0\s(I)
_refine_ls_r_factor_ref          0.0299
_oxford_refine_ls_r_factor_all   0.0405
_oxford_refine_ls_wr_factor_all  0.0439
_oxford_reflns_threshold_expression I>2.0\s(I)
_oxford_reflns_number_gt         7711
_oxford_refine_ls_r_factor_gt    0.0325
_oxford_refine_ls_wr_factor_gt   0.0310
_iucr_refine_instructions_details_constraints
;
#
# Punched on 08/07/14 at 16:32:13
#
#LIST     12                                                                    
BLOCK SCALE X'S, U'S 
RIDE C   (   1,X'S) H   (  11,X'S) H   (  12,X'S) H   (  13,X'S) 
RIDE C   (   2,X'S) H   (  21,X'S) H   (  22,X'S) H   (  23,X'S) 
RIDE C   (   3,X'S) H   (  31,X'S) H   (  32,X'S) H   (  33,X'S) 
RIDE C   (   6,X'S) H   (  61,X'S) 
RIDE C   (   7,X'S) H   (  71,X'S) 
RIDE C   (   8,X'S) H   (  81,X'S) 
RIDE C   (  10,X'S) H   ( 101,X'S) 
RIDE C   (  11,X'S) H   ( 111,X'S) H   ( 112,X'S) H   ( 113,X'S) 
RIDE C   (  12,X'S) H   ( 121,X'S) H   ( 123,X'S) H   ( 122,X'S) 
RIDE C   (  13,X'S) H   ( 131,X'S) 
RIDE C   (  14,X'S) H   ( 142,X'S) H   ( 141,X'S) H   ( 143,X'S) 
RIDE C   (  15,X'S) H   ( 151,X'S) H   ( 153,X'S) H   ( 152,X'S) 
RIDE C   (  16,X'S) H   ( 161,X'S) H   ( 163,X'S) H   ( 162,X'S) 
RIDE C   (  17,X'S) H   ( 171,X'S) H   ( 172,X'S) H   ( 173,X'S) 
RIDE C   (  18,X'S) H   ( 181,X'S) H   ( 183,X'S) H   ( 182,X'S) 
RIDE C   (  21,X'S) H   ( 211,X'S) 
RIDE C   (  22,X'S) H   ( 221,X'S) 
RIDE C   (  23,X'S) H   ( 231,X'S) 
RIDE C   (  25,X'S) H   ( 251,X'S) 
RIDE C   (  26,X'S) H   ( 261,X'S) H   ( 263,X'S) H   ( 262,X'S) 
RIDE C   (  27,X'S) H   ( 271,X'S) H   ( 273,X'S) H   ( 272,X'S) 
RIDE C   (  28,X'S) H   ( 281,X'S) 
RIDE C   (  29,X'S) H   ( 291,X'S) H   ( 292,X'S) H   ( 293,X'S) 
RIDE C   (  30,X'S) H   ( 301,X'S) H   ( 302,X'S) H   ( 303,X'S) 
RIDE C   (  31,X'S) H   ( 311,X'S) H   ( 312,X'S) H   ( 313,X'S) 
RIDE C   (  32,X'S) H   ( 322,X'S) H   ( 321,X'S) 
RIDE C   (  34,X'S) H   ( 341,X'S) H   ( 342,X'S) 
RIDE C   (  35,X'S) H   ( 351,X'S) H   ( 352,X'S) H   ( 353,X'S) 
END                                                                             
;
_iucr_refine_instructions_details_restraints
;
#
# Punched on 08/07/14 at 16:32:13
#
#LIST     16                                                                    
NO 
REM   HREST   START (DO NOT REMOVE THIS LINE) 
REM   HREST   END (DO NOT REMOVE THIS LINE) 
END                                                                             
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x+1/2,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Fe1 Fe 0.248911(15) 0.694001(9) 0.435387(10) 0.0135 1.0000 Uani . . . . . .
Si1 Si 0.34196(3) 0.528026(18) 0.38982(2) 0.0144 1.0000 Uani . . . . . .
Si2 Si 0.36647(3) 0.79172(2) 0.54518(2) 0.0182 1.0000 Uani . . . . . .
K1 K -0.03306(2) 0.775170(16) 0.360697(17) 0.0217 1.0000 Uani . . . . . .
C1 C 0.29208(13) 0.44382(7) 0.33798(8) 0.0239 1.0000 Uani . . . . . .
C2 C 0.51529(11) 0.55500(8) 0.38244(8) 0.0211 1.0000 Uani . . . . . .
C3 C 0.33855(12) 0.48621(8) 0.46502(8) 0.0233 1.0000 Uani . . . . . .
C4 C 0.13947(11) 0.61813(7) 0.33339(7) 0.0165 1.0000 Uani . . . . . .
C5 C 0.15638(13) 0.66202(7) 0.28156(8) 0.0216 1.0000 Uani . . . . . .
C6 C 0.04969(15) 0.67752(9) 0.24122(9) 0.0289 1.0000 Uani . . . . . .
C7 C -0.07261(15) 0.64929(9) 0.25023(9) 0.0318 1.0000 Uani . . . . . .
C8 C -0.08852(13) 0.60240(8) 0.29852(8) 0.0257 1.0000 Uani . . . . . .
C9 C 0.01485(12) 0.58502(7) 0.34040(7) 0.0190 1.0000 Uani . . . . . .
C10 C -0.00807(11) 0.53532(8) 0.39351(8) 0.0216 1.0000 Uani . . . . . .
C11 C -0.09162(14) 0.46007(8) 0.37943(9) 0.0356 1.0000 Uani . . . . . .
C12 C -0.06742(14) 0.58756(9) 0.43877(9) 0.0308 1.0000 Uani . . . . . .
C13 C 0.29028(14) 0.68922(8) 0.26856(8) 0.0238 1.0000 Uani . . . . . .
C14 C 0.29156(18) 0.76499(9) 0.23048(9) 0.0351 1.0000 Uani . . . . . .
C15 C 0.35909(16) 0.62086(9) 0.23859(9) 0.0316 1.0000 Uani . . . . . .
C16 C 0.52905(12) 0.78975(11) 0.51601(9) 0.0370 1.0000 Uani . . . . . .
C17 C 0.37192(16) 0.70786(9) 0.60040(9) 0.0337 1.0000 Uani . . . . . .
C18 C 0.35415(12) 0.89269(8) 0.58177(8) 0.0233 1.0000 Uani . . . . . .
C19 C 0.13638(10) 0.83155(6) 0.47904(7) 0.0131 1.0000 Uani . . . . . .
C20 C 0.14404(10) 0.89890(6) 0.44152(7) 0.0152 1.0000 Uani . . . . . .
C21 C 0.03404(11) 0.94567(7) 0.42552(7) 0.0179 1.0000 Uani . . . . . .
C22 C -0.08358(11) 0.92813(7) 0.44664(8) 0.0204 1.0000 Uani . . . . . .
C23 C -0.09097(10) 0.86456(7) 0.48538(7) 0.0189 1.0000 Uani . . . . . .
C24 C 0.01651(10) 0.81675(7) 0.50324(7) 0.0148 1.0000 Uani . . . . . .
C25 C 0.00655(11) 0.75215(7) 0.54941(7) 0.0183 1.0000 Uani . . . . . .
C26 C -0.12855(12) 0.71479(8) 0.54993(9) 0.0264 1.0000 Uani . . . . . .
C27 C 0.04566(14) 0.78660(9) 0.61019(8) 0.0279 1.0000 Uani . . . . . .
C28 C 0.26958(11) 0.92033(7) 0.41595(8) 0.0194 1.0000 Uani . . . . . .
C29 C 0.26362(14) 0.89849(9) 0.35185(9) 0.0302 1.0000 Uani . . . . . .
C30 C 0.30615(14) 1.00961(8) 0.42572(9) 0.0300 1.0000 Uani . . . . . .
C31 C -0.37175(17) 0.76502(12) 0.36280(10) 0.0447 1.0000 Uani . . . . . .
C32 C -0.36586(14) 0.84565(12) 0.33430(11) 0.0480 1.0000 Uani . . . . . .
C34 C -0.23286(19) 0.93087(13) 0.28326(12) 0.0585 1.0000 Uani . . . . . .
C35 C -0.1051(2) 0.93077(15) 0.25573(11) 0.0583 1.0000 Uani . . . . . .
N1 N 0.24145(9) 0.60982(5) 0.37808(6) 0.0142 1.0000 Uani . . . . . .
N2 N 0.24288(8) 0.77910(6) 0.49142(6) 0.0140 1.0000 Uani . . . . . .
O33 O -0.24228(9) 0.85433(6) 0.31219(6) 0.0297 1.0000 Uani . . . . . .
H11 H 0.2055 0.4268 0.3441 0.0379 1.0000 Uiso R . . . . .
H12 H 0.3478 0.3986 0.3457 0.0383 1.0000 Uiso R . . . . .
H13 H 0.2929 0.4583 0.2979 0.0381 1.0000 Uiso R . . . . .
H21 H 0.5453 0.5953 0.4110 0.0318 1.0000 Uiso R . . . . .
H22 H 0.5701 0.5083 0.3891 0.0335 1.0000 Uiso R . . . . .
H23 H 0.5277 0.5766 0.3439 0.0320 1.0000 Uiso R . . . . .
H31 H 0.3599 0.5266 0.4936 0.0351 1.0000 Uiso R . . . . .
H32 H 0.4002 0.4429 0.4724 0.0359 1.0000 Uiso R . . . . .
H33 H 0.2551 0.4643 0.4707 0.0356 1.0000 Uiso R . . . . .
H61 H 0.0618 0.7079 0.2073 0.0357 1.0000 Uiso R . . . . .
H71 H -0.1431 0.6609 0.2236 0.0386 1.0000 Uiso R . . . . .
H81 H -0.1712 0.5809 0.3039 0.0314 1.0000 Uiso R . . . . .
H101 H 0.0764 0.5168 0.4111 0.0258 1.0000 Uiso R . . . . .
H111 H -0.0962 0.4274 0.4143 0.0528 1.0000 Uiso R . . . . .
H112 H -0.1782 0.4749 0.3638 0.0525 1.0000 Uiso R . . . . .
H113 H -0.0538 0.4277 0.3507 0.0512 1.0000 Uiso R . . . . .
H121 H -0.0766 0.5577 0.4739 0.0457 1.0000 Uiso R . . . . .
H123 H -0.0149 0.6341 0.4487 0.0446 1.0000 Uiso R . . . . .
H122 H -0.1523 0.6068 0.4229 0.0453 1.0000 Uiso R . . . . .
H131 H 0.3388 0.6997 0.3062 0.0286 1.0000 Uiso R . . . . .
H142 H 0.3788 0.7836 0.2300 0.0522 1.0000 Uiso R . . . . .
H141 H 0.2430 0.8075 0.2463 0.0525 1.0000 Uiso R . . . . .
H143 H 0.2560 0.7534 0.1904 0.0524 1.0000 Uiso R . . . . .
H151 H 0.4463 0.6374 0.2334 0.0473 1.0000 Uiso R . . . . .
H153 H 0.3616 0.5724 0.2619 0.0451 1.0000 Uiso R . . . . .
H152 H 0.3103 0.6097 0.2012 0.0461 1.0000 Uiso R . . . . .
H161 H 0.5349 0.8321 0.4867 0.0551 1.0000 Uiso R . . . . .
H163 H 0.5950 0.7987 0.5475 0.0546 1.0000 Uiso R . . . . .
H162 H 0.5442 0.7386 0.4982 0.0542 1.0000 Uiso R . . . . .
H171 H 0.2969 0.7085 0.6225 0.0514 1.0000 Uiso R . . . . .
H172 H 0.4486 0.7146 0.6272 0.0503 1.0000 Uiso R . . . . .
H173 H 0.3781 0.6566 0.5807 0.0505 1.0000 Uiso R . . . . .
H181 H 0.2687 0.9016 0.5929 0.0358 1.0000 Uiso R . . . . .
H183 H 0.4134 0.8961 0.6164 0.0353 1.0000 Uiso R . . . . .
H182 H 0.3730 0.9349 0.5557 0.0359 1.0000 Uiso R . . . . .
H211 H 0.0398 0.9904 0.3995 0.0223 1.0000 Uiso R . . . . .
H221 H -0.1570 0.9603 0.4342 0.0245 1.0000 Uiso R . . . . .
H231 H -0.1705 0.8534 0.5012 0.0229 1.0000 Uiso R . . . . .
H251 H 0.0667 0.7096 0.5423 0.0217 1.0000 Uiso R . . . . .
H261 H -0.1239 0.6665 0.5745 0.0395 1.0000 Uiso R . . . . .
H263 H -0.1871 0.7527 0.5661 0.0397 1.0000 Uiso R . . . . .
H262 H -0.1644 0.7001 0.5101 0.0389 1.0000 Uiso R . . . . .
H271 H 0.0417 0.7456 0.6398 0.0416 1.0000 Uiso R . . . . .
H273 H -0.0117 0.8299 0.6183 0.0423 1.0000 Uiso R . . . . .
H272 H 0.1325 0.8084 0.6143 0.0416 1.0000 Uiso R . . . . .
H281 H 0.3385 0.8877 0.4365 0.0241 1.0000 Uiso R . . . . .
H291 H 0.3439 0.9109 0.3359 0.0445 1.0000 Uiso R . . . . .
H292 H 0.1964 0.9276 0.3301 0.0443 1.0000 Uiso R . . . . .
H293 H 0.2469 0.8411 0.3461 0.0448 1.0000 Uiso R . . . . .
H301 H 0.3884 1.0193 0.4107 0.0449 1.0000 Uiso R . . . . .
H302 H 0.3134 1.0239 0.4671 0.0448 1.0000 Uiso R . . . . .
H303 H 0.2422 1.0455 0.4053 0.0451 1.0000 Uiso R . . . . .
H311 H -0.4590 0.7573 0.3739 0.0666 1.0000 Uiso R . . . . .
H312 H -0.3086 0.7622 0.3976 0.0669 1.0000 Uiso R . . . . .
H313 H -0.3538 0.7240 0.3344 0.0677 1.0000 Uiso R . . . . .
H322 H -0.3797 0.8904 0.3632 0.0593 1.0000 Uiso R . . . . .
H321 H -0.4320 0.8493 0.3016 0.0586 1.0000 Uiso R . . . . .
H341 H -0.2363 0.9795 0.3121 0.0732 1.0000 Uiso R . . . . .
H342 H -0.3048 0.9369 0.2523 0.0705 1.0000 Uiso R . . . . .
H351 H -0.0985 0.9783 0.2330 0.0871 1.0000 Uiso R . . . . .
H352 H -0.0380 0.9314 0.2873 0.0856 1.0000 Uiso R . . . . .
H353 H -0.0996 0.8844 0.2330 0.0868 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Fe 0.3463 0.8444 11.7695 4.7611 7.3573 0.3072 3.5222 15.3535 2.3045 76.8805
1.0369 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Si 0.0817 0.0704 6.2915 2.4386 3.0353 32.3337 1.9891 0.6785 1.5410 81.6937
1.1407 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
K 0.2009 0.2494 8.2186 12.7949 7.4398 0.7748 1.0519 213.1870 0.8659 41.6841
1.4228 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 . Fe1 . N2 . 175.76(4) yes
C1 . Si1 . C2 . 109.28(7) yes
C1 . Si1 . C3 . 106.48(7) yes
C2 . Si1 . C3 . 105.86(7) yes
C1 . Si1 . N1 . 111.03(6) yes
C2 . Si1 . N1 . 111.93(5) yes
C3 . Si1 . N1 . 111.98(6) yes
C16 . Si2 . C17 . 104.89(8) yes
C16 . Si2 . C18 . 106.04(7) yes
C17 . Si2 . C18 . 110.77(8) yes
C16 . Si2 . N2 . 112.46(7) yes
C17 . Si2 . N2 . 111.73(6) yes
C18 . Si2 . N2 . 110.68(6) yes
Si1 . C1 . H11 . 109.3 no
Si1 . C1 . H12 . 109.8 no
H11 . C1 . H12 . 107.7 no
Si1 . C1 . H13 . 113.6 no
H11 . C1 . H13 . 107.8 no
H12 . C1 . H13 . 108.4 no
Si1 . C2 . H21 . 110.7 no
Si1 . C2 . H22 . 110.6 no
H21 . C2 . H22 . 107.3 no
Si1 . C2 . H23 . 112.2 no
H21 . C2 . H23 . 107.5 no
H22 . C2 . H23 . 108.2 no
Si1 . C3 . H31 . 110.8 no
Si1 . C3 . H32 . 111.6 no
H31 . C3 . H32 . 107.0 no
Si1 . C3 . H33 . 111.2 no
H31 . C3 . H33 . 109.1 no
H32 . C3 . H33 . 106.8 no
C5 . C4 . C9 . 118.40(13) yes
C5 . C4 . N1 . 121.03(11) yes
C9 . C4 . N1 . 120.53(14) yes
C4 . C5 . C6 . 119.69(14) yes
C4 . C5 . C13 . 120.28(13) yes
C6 . C5 . C13 . 119.98(16) yes
C5 . C6 . C7 . 121.31(17) yes
C5 . C6 . H61 . 118.9 no
C7 . C6 . H61 . 119.7 no
C6 . C7 . C8 . 119.40(14) yes
C6 . C7 . H71 . 120.6 no
C8 . C7 . H71 . 119.9 no
C7 . C8 . C9 . 121.70(14) yes
C7 . C8 . H81 . 119.8 no
C9 . C8 . H81 . 118.5 no
C4 . C9 . C8 . 119.23(14) yes
C4 . C9 . C10 . 120.91(12) yes
C8 . C9 . C10 . 119.78(12) yes
C9 . C10 . C11 . 113.67(14) yes
C9 . C10 . C12 . 110.24(11) yes
C11 . C10 . C12 . 110.24(12) yes
C9 . C10 . H101 . 107.5 no
C11 . C10 . H101 . 107.5 no
C12 . C10 . H101 . 107.5 no
C10 . C11 . H111 . 110.4 no
C10 . C11 . H112 . 111.1 no
H111 . C11 . H112 . 109.3 no
C10 . C11 . H113 . 109.7 no
H111 . C11 . H113 . 108.0 no
H112 . C11 . H113 . 108.3 no
C10 . C12 . H121 . 111.0 no
C10 . C12 . H123 . 111.0 no
H121 . C12 . H123 . 108.3 no
C10 . C12 . H122 . 109.8 no
H121 . C12 . H122 . 109.0 no
H123 . C12 . H122 . 107.6 no
C5 . C13 . C14 . 114.36(13) yes
C5 . C13 . C15 . 110.11(12) yes
C14 . C13 . C15 . 108.59(14) yes
C5 . C13 . H131 . 106.7 no
C14 . C13 . H131 . 109.2 no
C15 . C13 . H131 . 107.7 no
C13 . C14 . H142 . 109.2 no
C13 . C14 . H141 . 110.7 no
H142 . C14 . H141 . 107.5 no
C13 . C14 . H143 . 110.7 no
H142 . C14 . H143 . 109.1 no
H141 . C14 . H143 . 109.6 no
C13 . C15 . H151 . 109.2 no
C13 . C15 . H153 . 110.7 no
H151 . C15 . H153 . 109.1 no
C13 . C15 . H152 . 107.9 no
H151 . C15 . H152 . 111.4 no
H153 . C15 . H152 . 108.5 no
Si2 . C16 . H161 . 110.5 no
Si2 . C16 . H163 . 109.4 no
H161 . C16 . H163 . 108.7 no
Si2 . C16 . H162 . 110.9 no
H161 . C16 . H162 . 108.5 no
H163 . C16 . H162 . 108.8 no
Si2 . C17 . H171 . 111.7 no
Si2 . C17 . H172 . 108.3 no
H171 . C17 . H172 . 108.8 no
Si2 . C17 . H173 . 109.3 no
H171 . C17 . H173 . 110.3 no
H172 . C17 . H173 . 108.2 no
Si2 . C18 . H181 . 111.1 no
Si2 . C18 . H183 . 110.9 no
H181 . C18 . H183 . 108.0 no
Si2 . C18 . H182 . 110.1 no
H181 . C18 . H182 . 107.8 no
H183 . C18 . H182 . 108.9 no
C20 . C19 . C24 . 118.12(10) yes
C20 . C19 . N2 . 121.18(11) yes
C24 . C19 . N2 . 120.69(11) yes
C19 . C20 . C21 . 120.23(11) yes
C19 . C20 . C28 . 121.15(10) yes
C21 . C20 . C28 . 118.59(12) yes
C20 . C21 . C22 . 121.14(13) yes
C20 . C21 . H211 . 119.6 no
C22 . C21 . H211 . 119.3 no
C21 . C22 . C23 . 119.15(11) yes
C21 . C22 . H221 . 119.1 no
C23 . C22 . H221 . 121.7 no
C22 . C23 . C24 . 121.82(11) yes
C22 . C23 . H231 . 119.7 no
C24 . C23 . H231 . 118.5 no
C19 . C24 . C23 . 119.33(12) yes
C19 . C24 . C25 . 120.71(10) yes
C23 . C24 . C25 . 119.92(11) yes
C24 . C25 . C26 . 114.32(11) yes
C24 . C25 . C27 . 110.22(11) yes
C26 . C25 . C27 . 107.99(13) yes
C24 . C25 . H251 . 108.0 no
C26 . C25 . H251 . 108.4 no
C27 . C25 . H251 . 107.8 no
C25 . C26 . H261 . 109.8 no
C25 . C26 . H263 . 110.4 no
H261 . C26 . H263 . 107.8 no
C25 . C26 . H262 . 111.1 no
H261 . C26 . H262 . 109.1 no
H263 . C26 . H262 . 108.5 no
C25 . C27 . H271 . 110.8 no
C25 . C27 . H273 . 109.8 no
H271 . C27 . H273 . 108.7 no
C25 . C27 . H272 . 113.2 no
H271 . C27 . H272 . 107.1 no
H273 . C27 . H272 . 107.0 no
C20 . C28 . C29 . 111.18(12) yes
C20 . C28 . C30 . 112.15(11) yes
C29 . C28 . C30 . 111.05(13) yes
C20 . C28 . H281 . 107.5 no
C29 . C28 . H281 . 107.3 no
C30 . C28 . H281 . 107.4 no
C28 . C29 . H291 . 111.2 no
C28 . C29 . H292 . 110.6 no
H291 . C29 . H292 . 108.2 no
C28 . C29 . H293 . 110.9 no
H291 . C29 . H293 . 107.8 no
H292 . C29 . H293 . 108.0 no
C28 . C30 . H301 . 108.8 no
C28 . C30 . H302 . 111.8 no
H301 . C30 . H302 . 108.5 no
C28 . C30 . H303 . 111.5 no
H301 . C30 . H303 . 108.3 no
H302 . C30 . H303 . 107.9 no
C32 . C31 . H311 . 108.1 no
C32 . C31 . H312 . 110.3 no
H311 . C31 . H312 . 110.3 no
C32 . C31 . H313 . 108.3 no
H311 . C31 . H313 . 109.0 no
H312 . C31 . H313 . 110.8 no
C31 . C32 . O33 . 108.70(14) yes
C31 . C32 . H322 . 110.7 no
O33 . C32 . H322 . 110.2 no
C31 . C32 . H321 . 109.9 no
O33 . C32 . H321 . 108.3 no
H322 . C32 . H321 . 109.0 no
C35 . C34 . O33 . 106.88(16) yes
C35 . C34 . H341 . 110.3 no
O33 . C34 . H341 . 112.2 no
C35 . C34 . H342 . 109.4 no
O33 . C34 . H342 . 110.0 no
H341 . C34 . H342 . 108.0 no
C34 . C35 . H351 . 109.7 no
C34 . C35 . H352 . 106.8 no
H351 . C35 . H352 . 108.7 no
C34 . C35 . H353 . 109.5 no
H351 . C35 . H353 . 111.3 no
H352 . C35 . H353 . 110.7 no
C4 . N1 . Fe1 . 114.09(7) yes
C4 . N1 . Si1 . 126.59(9) yes
Fe1 . N1 . Si1 . 118.80(7) yes
C19 . N2 . Fe1 . 113.04(9) yes
C19 . N2 . Si2 . 126.26(9) yes
Fe1 . N2 . Si2 . 120.39(5) yes
C34 . O33 . C32 . 110.74(13) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Fe1 . N1 . 1.9130(11) yes
Fe1 . N2 . 1.9126(11) yes
Si1 . C1 . 1.8742(15) yes
Si1 . C2 . 1.8801(12) yes
Si1 . C3 . 1.8635(17) yes
Si1 . N1 . 1.7164(10) yes
Si2 . C16 . 1.8764(15) yes
Si2 . C17 . 1.8773(18) yes
Si2 . C18 . 1.8803(14) yes
Si2 . N2 . 1.7092(11) yes
C1 . H11 . 0.965 no
C1 . H12 . 0.953 no
C1 . H13 . 0.952 no
C2 . H21 . 0.966 no
C2 . H22 . 0.964 no
C2 . H23 . 0.974 no
C3 . H31 . 0.949 no
C3 . H32 . 0.966 no
C3 . H33 . 0.960 no
C4 . C5 . 1.419(2) yes
C4 . C9 . 1.4301(17) yes
C4 . N1 . 1.4114(17) yes
C5 . C6 . 1.401(2) yes
C5 . C13 . 1.520(2) yes
C6 . C7 . 1.389(2) yes
C6 . H61 . 0.944 no
C7 . C8 . 1.376(3) yes
C7 . H71 . 0.929 no
C8 . C9 . 1.403(2) yes
C8 . H81 . 0.949 no
C9 . C10 . 1.508(2) yes
C10 . C11 . 1.5357(18) yes
C10 . C12 . 1.526(2) yes
C10 . H101 . 0.981 no
C11 . H111 . 0.972 no
C11 . H112 . 0.969 no
C11 . H113 . 0.963 no
C12 . H121 . 0.959 no
C12 . H123 . 0.959 no
C12 . H122 . 0.977 no
C13 . C14 . 1.530(2) yes
C13 . C15 . 1.536(2) yes
C13 . H131 . 0.973 no
C14 . H142 . 0.959 no
C14 . H141 . 0.958 no
C14 . H143 . 0.977 no
C15 . H151 . 0.965 no
C15 . H153 . 0.964 no
C15 . H152 . 0.972 no
C16 . H161 . 0.977 no
C16 . H163 . 0.960 no
C16 . H162 . 0.960 no
C17 . H171 . 0.970 no
C17 . H172 . 0.967 no
C17 . H173 . 0.966 no
C18 . H181 . 0.959 no
C18 . H183 . 0.960 no
C18 . H182 . 0.953 no
C19 . C20 . 1.4157(18) yes
C19 . C24 . 1.4327(17) yes
C19 . N2 . 1.4152(13) yes
C20 . C21 . 1.4016(16) yes
C20 . C28 . 1.5228(17) yes
C21 . C22 . 1.3882(18) yes
C21 . H211 . 0.956 no
C22 . C23 . 1.385(2) yes
C22 . H221 . 0.953 no
C23 . C24 . 1.3994(15) yes
C23 . H231 . 0.953 no
C24 . C25 . 1.516(2) yes
C25 . C26 . 1.5362(17) yes
C25 . C27 . 1.527(2) yes
C25 . H251 . 0.966 no
C26 . H261 . 0.976 no
C26 . H263 . 0.973 no
C26 . H262 . 0.984 no
C27 . H271 . 0.964 no
C27 . H273 . 0.962 no
C27 . H272 . 0.969 no
C28 . C29 . 1.511(3) yes
C28 . C30 . 1.5373(18) yes
C28 . H281 . 0.983 no
C29 . H291 . 0.965 no
C29 . H292 . 0.951 no
C29 . H293 . 0.973 no
C30 . H301 . 0.966 no
C30 . H302 . 0.975 no
C30 . H303 . 0.979 no
C31 . C32 . 1.490(3) yes
C31 . H311 . 0.974 no
C31 . H312 . 0.986 no
C31 . H313 . 0.971 no
C32 . O33 . 1.4327(19) yes
C32 . H322 . 1.014 no
C32 . H321 . 0.971 no
C34 . C35 . 1.524(3) yes
C34 . O33 . 1.438(2) yes
C34 . H341 . 1.046 no
C34 . H342 . 0.988 no
C35 . H351 . 0.950 no
C35 . H352 . 0.958 no
C35 . H353 . 0.932 no
