#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/07/4340771.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_4340771
loop_
_publ_author_name
'Lin, Chun-Yi'
'Fettinger, James C.'
'Grandjean, Fernande'
'Long, Gary J.'
'Power, Philip P.'
_publ_section_title
;
 Synthesis, structure, and magnetic and electrochemical properties of
 quasi-linear and linear iron(i), cobalt(i), and nickel(i) amido
 complexes.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9400
_journal_page_last               9406
_journal_paper_doi               10.1021/ic501534f
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C30 H52 Fe N2 Si2, C12 H24 K O6, 0.5(C7 H8)'
_chemical_formula_sum            'C45.5 H80 Fe K N2 O6 Si2'
_chemical_formula_weight         902.24
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                101.812(3)
_cell_angle_beta                 95.981(3)
_cell_angle_gamma                104.259(3)
_cell_formula_units_Z            2
_cell_length_a                   12.489(3)
_cell_length_b                   12.693(3)
_cell_length_c                   17.444(4)
_cell_measurement_reflns_used    9892
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.31
_cell_volume                     2588.3(11)
_computing_cell_refinement       'SAINT (8.34a) (Bruker, 2013)'
_computing_data_collection       'Apex2 (2013.10-2) (Bruker, 2013)'
_computing_data_reduction        'SAINT (8.34a) (Bruker, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXT (Sheldrick, 2013)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23249
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.488
_diffrn_reflns_theta_min         2.314
_exptl_absorpt_coefficient_mu    0.461
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_correction_T_min  0.8112
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2012/1 (Sheldrick, 2012)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.158
_exptl_crystal_description       Plate
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.316
_exptl_crystal_size_mid          0.243
_exptl_crystal_size_min          0.094
_refine_diff_density_max         0.404
_refine_diff_density_min         -0.363
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     564
_refine_ls_number_reflns         11864
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0372
_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)+(0.0338P)²+0.5870P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0781
_refine_ls_wR_factor_ref         0.0871
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8908
_reflns_number_total             11864
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic501534f_si_002.cif
_cod_data_source_block           CYL066FMI
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340770--4340773.cif.
;
_cod_original_formula_sum        'C45.50 H80 Fe K N2 O6 Si2'
_cod_database_code               4340771
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2013-4
_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. 
;
_shelx_estimated_absorpt_t_max   0.958
_shelx_estimated_absorpt_t_min   0.868
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
H3 H 0.4611 0.5487 0.1800 0.030 Uiso 1 1 calc R U . . .
H4 H 0.5801 0.4939 0.0950 0.035 Uiso 1 1 calc R U . . .
H5 H 0.6473 0.3420 0.1073 0.033 Uiso 1 1 calc R U . . .
H7 H 0.3601 0.4162 0.3311 0.029 Uiso 1 1 calc R U . . .
H8A H 0.4872 0.5991 0.3654 0.049 Uiso 1 1 calc R U . . .
H8B H 0.3614 0.6044 0.3707 0.049 Uiso 1 1 calc R U . . .
H8C H 0.4175 0.6323 0.2962 0.049 Uiso 1 1 calc R U . . .
H9A H 0.2604 0.4856 0.2015 0.048 Uiso 1 1 calc R U . . .
H9B H 0.2011 0.4577 0.2748 0.048 Uiso 1 1 calc R U . . .
H9C H 0.2277 0.3600 0.2123 0.048 Uiso 1 1 calc R U . . .
H10 H 0.5750 0.1656 0.2414 0.034 Uiso 1 1 calc R U . . .
H11A H 0.7705 0.2659 0.1821 0.079 Uiso 1 1 calc R U . . .
H11B H 0.7610 0.1702 0.2303 0.079 Uiso 1 1 calc R U . . .
H11C H 0.7566 0.2927 0.2737 0.079 Uiso 1 1 calc R U . . .
H12A H 0.4909 0.0836 0.1086 0.067 Uiso 1 1 calc R U . . .
H12B H 0.6032 0.0470 0.1257 0.067 Uiso 1 1 calc R U . . .
H12C H 0.6019 0.1420 0.0781 0.067 Uiso 1 1 calc R U . . .
H13A H 0.5771 0.1220 0.3851 0.049 Uiso 1 1 calc R U . . .
H13B H 0.6420 0.2140 0.4641 0.049 Uiso 1 1 calc R U . . .
H13C H 0.6776 0.2252 0.3800 0.049 Uiso 1 1 calc R U . . .
H14A H 0.3557 0.2962 0.4595 0.045 Uiso 1 1 calc R U . . .
H14B H 0.4439 0.2576 0.5128 0.045 Uiso 1 1 calc R U . . .
H14C H 0.3623 0.1694 0.4379 0.045 Uiso 1 1 calc R U . . .
H15A H 0.6522 0.4554 0.4004 0.045 Uiso 1 1 calc R U . . .
H15B H 0.6315 0.4467 0.4881 0.045 Uiso 1 1 calc R U . . .
H15C H 0.5449 0.4842 0.4326 0.045 Uiso 1 1 calc R U . . .
H18 H 0.1840 -0.2709 0.0494 0.028 Uiso 1 1 calc R U . . .
H19 H 0.2448 -0.3660 0.1385 0.031 Uiso 1 1 calc R U . . .
H20 H 0.2639 -0.2916 0.2746 0.030 Uiso 1 1 calc R U . . .
H22 H 0.0983 -0.0200 0.1006 0.028 Uiso 1 1 calc R U . . .
H23A H 0.0630 -0.2107 -0.0281 0.055 Uiso 1 1 calc R U . . .
H23B H -0.0025 -0.1164 -0.0221 0.055 Uiso 1 1 calc R U . . .
H23C H -0.0221 -0.2024 0.0340 0.055 Uiso 1 1 calc R U . . .
H24A H 0.2785 0.0366 0.0730 0.064 Uiso 1 1 calc R U . . .
H24B H 0.1914 0.0143 -0.0065 0.064 Uiso 1 1 calc R U . . .
H24C H 0.2575 -0.0759 0.0053 0.064 Uiso 1 1 calc R U . . .
H25 H 0.2278 -0.0251 0.3667 0.026 Uiso 1 1 calc R U . . .
H26A H 0.3816 -0.1545 0.3881 0.042 Uiso 1 1 calc R U . . .
H26B H 0.3737 -0.0481 0.4524 0.042 Uiso 1 1 calc R U . . .
H26C H 0.4150 -0.0327 0.3706 0.042 Uiso 1 1 calc R U . . .
H27A H 0.0845 -0.1814 0.3742 0.047 Uiso 1 1 calc R U . . .
H27B H 0.1734 -0.1386 0.4546 0.047 Uiso 1 1 calc R U . . .
H27C H 0.1751 -0.2476 0.3902 0.047 Uiso 1 1 calc R U . . .
H28A H -0.0691(16) -0.1121(17) 0.1687(13) 0.032(6) Uiso 1 1 d . . . . .
H28B H -0.135(2) -0.0755(19) 0.2366(13) 0.048(7) Uiso 1 1 d . . . . .
H28C H -0.0475(17) -0.1455(18) 0.2496(13) 0.038(6) Uiso 1 1 d . . . . .
H29A H 0.0616 0.0224 0.3992 0.042 Uiso 1 1 calc R U . . .
H29B H -0.0147 0.1034 0.3852 0.042 Uiso 1 1 calc R U . . .
H29C H 0.1188 0.1503 0.4001 0.042 Uiso 1 1 calc R U . . .
H30A H 0.0820 0.2289 0.2465 0.048 Uiso 1 1 calc R U . . .
H30B H -0.0487 0.1715 0.2412 0.048 Uiso 1 1 calc R U . . .
H30C H 0.0129 0.1398 0.1673 0.048 Uiso 1 1 calc R U . . .
H31A H -0.1325 -0.2665 0.4526 0.038 Uiso 1 1 calc R U . . .
H31B H -0.2570 -0.3333 0.4077 0.038 Uiso 1 1 calc R U . . .
H32A H -0.2359 -0.1371 0.4530 0.035 Uiso 1 1 calc R U . . .
H32B H -0.1458 -0.1137 0.3948 0.035 Uiso 1 1 calc R U . . .
H33A H -0.2775 -0.0318 0.3275 0.037 Uiso 1 1 calc R U . . .
H33B H -0.3658 -0.0660 0.3848 0.037 Uiso 1 1 calc R U . . .
H34A H -0.4945 -0.1864 0.2722 0.037 Uiso 1 1 calc R U . . .
H34B H -0.4646 -0.0586 0.2653 0.037 Uiso 1 1 calc R U . . .
H35A H -0.5231 -0.1391 0.1267 0.038 Uiso 1 1 calc R U . . .
H35B H -0.5270 -0.2663 0.1275 0.038 Uiso 1 1 calc R U . . .
H36A H -0.4801 -0.2206 0.0060 0.037 Uiso 1 1 calc R U . . .
H36B H -0.3677 -0.1310 0.0559 0.037 Uiso 1 1 calc R U . . .
H37A H -0.2373 -0.2225 0.0027 0.034 Uiso 1 1 calc R U . . .
H37B H -0.3455 -0.2948 -0.0616 0.034 Uiso 1 1 calc R U . . .
H38A H -0.3203 -0.4604 -0.0298 0.036 Uiso 1 1 calc R U . . .
H38B H -0.2125 -0.3962 -0.0613 0.036 Uiso 1 1 calc R U . . .
H39A H -0.1027 -0.4846 0.0059 0.040 Uiso 1 1 calc R U . . .
H39B H -0.2046 -0.5460 0.0441 0.040 Uiso 1 1 calc R U . . .
H40A H -0.0299 -0.5208 0.1242 0.042 Uiso 1 1 calc R U . . .
H40B H -0.0048 -0.3878 0.1355 0.042 Uiso 1 1 calc R U . . .
H41A H 0.0109 -0.3813 0.2725 0.040 Uiso 1 1 calc R U . . .
H41B H -0.0369 -0.5134 0.2641 0.040 Uiso 1 1 calc R U . . .
H42A H -0.1950 -0.4795 0.3208 0.041 Uiso 1 1 calc R U . . .
H42B H -0.0800 -0.4203 0.3816 0.041 Uiso 1 1 calc R U . . .
C1 C 0.48673(14) 0.32883(14) 0.24475(10) 0.0182(4) Uani 1 1 d . . . . .
C2 C 0.45054(15) 0.42502(14) 0.23937(10) 0.0209(4) Uani 1 1 d . . . . .
C3 C 0.48641(16) 0.48488(15) 0.18362(11) 0.0248(4) Uani 1 1 d . . . . .
C4 C 0.55793(16) 0.45346(16) 0.13351(11) 0.0288(4) Uani 1 1 d . . . . .
C5 C 0.59649(16) 0.36238(16) 0.14057(11) 0.0274(4) Uani 1 1 d . . . . .
C6 C 0.56300(14) 0.29910(15) 0.19525(11) 0.0222(4) Uani 1 1 d . . . . .
C7 C 0.36919(16) 0.46183(15) 0.29061(11) 0.0244(4) Uani 1 1 d . . . . .
C8 C 0.41275(18) 0.58557(16) 0.33468(12) 0.0329(5) Uani 1 1 d . . . . .
C9 C 0.25423(17) 0.43926(17) 0.24026(12) 0.0320(5) Uani 1 1 d . . . . .
C10 C 0.60805(15) 0.19988(16) 0.19946(12) 0.0280(4) Uani 1 1 d . . . . .
C11 C 0.73553(18) 0.2353(2) 0.22355(17) 0.0526(7) Uani 1 1 d . . . . .
C12 C 0.5728(2) 0.10998(19) 0.12085(14) 0.0449(6) Uani 1 1 d . . . . .
C13 C 0.61451(17) 0.20167(16) 0.40736(13) 0.0325(5) Uani 1 1 d . . . . .
C14 C 0.40587(17) 0.24770(16) 0.45876(11) 0.0302(4) Uani 1 1 d . . . . .
C15 C 0.59509(17) 0.43595(15) 0.43347(12) 0.0299(4) Uani 1 1 d . . . . .
C16 C 0.19150(14) -0.08617(14) 0.21401(10) 0.0175(4) Uani 1 1 d . . . . .
C17 C 0.17227(14) -0.13662(14) 0.13119(10) 0.0195(4) Uani 1 1 d . . . . .
C18 C 0.19389(15) -0.23933(15) 0.10486(11) 0.0232(4) Uani 1 1 d . . . . .
C19 C 0.22950(15) -0.29650(15) 0.15752(12) 0.0254(4) Uani 1 1 d . . . . .
C20 C 0.24248(15) -0.25096(15) 0.23840(12) 0.0251(4) Uani 1 1 d . . . . .
C21 C 0.22486(14) -0.14703(14) 0.26794(11) 0.0204(4) Uani 1 1 d . . . . .
C22 C 0.12884(16) -0.07915(15) 0.07097(11) 0.0237(4) Uani 1 1 d . . . . .
C23 C 0.03324(18) -0.15936(18) 0.00804(12) 0.0366(5) Uani 1 1 d . . . . .
C24 C 0.22236(19) -0.02087(19) 0.03225(14) 0.0424(6) Uani 1 1 d . . . . .
C25 C 0.24311(15) -0.10000(15) 0.35733(11) 0.0218(4) Uani 1 1 d . . . . .
C26 C 0.36427(15) -0.08223(16) 0.39556(12) 0.0283(4) Uani 1 1 d . . . . .
C27 C 0.16169(17) -0.17353(17) 0.39773(12) 0.0315(5) Uani 1 1 d . . . . .
C28 C -0.06224(17) -0.08753(17) 0.22544(13) 0.0268(4) Uani 1 1 d . . . . .
C29 C 0.05522(16) 0.08493(17) 0.37573(11) 0.0282(4) Uani 1 1 d . . . . .
C30 C 0.02135(16) 0.15984(17) 0.22537(13) 0.0317(5) Uani 1 1 d . . . . .
C31 C -0.18796(18) -0.27672(17) 0.40488(11) 0.0318(5) Uani 1 1 d . . . . .
C32 C -0.21321(17) -0.16837(16) 0.40240(11) 0.0288(4) Uani 1 1 d . . . . .
C33 C -0.33974(17) -0.09265(16) 0.33461(12) 0.0309(5) Uani 1 1 d . . . . .
C34 C -0.43375(17) -0.12312(17) 0.26642(12) 0.0309(5) Uani 1 1 d . . . . .
C35 C -0.47734(17) -0.19266(17) 0.12661(12) 0.0313(5) Uani 1 1 d . . . . .
C36 C -0.42291(18) -0.20278(17) 0.05396(12) 0.0312(5) Uani 1 1 d . . . . .
C37 C -0.30049(17) -0.29146(16) -0.01051(11) 0.0286(4) Uani 1 1 d . . . . .
C38 C -0.25699(17) -0.39169(17) -0.01753(11) 0.0302(4) Uani 1 1 d . . . . .
C39 C -0.14342(17) -0.47653(18) 0.05156(12) 0.0329(5) Uani 1 1 d . . . . .
C40 C -0.06492(17) -0.45842(19) 0.12720(12) 0.0351(5) Uani 1 1 d . . . . .
C41 C -0.05832(17) -0.44318(18) 0.26465(12) 0.0333(5) Uani 1 1 d . . . . .
C42 C -0.12323(19) -0.42033(17) 0.33065(12) 0.0345(5) Uani 1 1 d . . . . .
N1 N 0.44650(11) 0.26363(11) 0.29845(8) 0.0176(3) Uani 1 1 d . . . . .
N2 N 0.17823(11) 0.02240(11) 0.24145(8) 0.0170(3) Uani 1 1 d . . . . .
O1 O -0.36821(11) -0.28970(10) 0.05052(7) 0.0261(3) Uani 1 1 d . . . . .
O2 O -0.39141(11) -0.15402(11) 0.19449(8) 0.0270(3) Uani 1 1 d . . . . .
O3 O -0.30224(11) -0.18896(10) 0.33767(8) 0.0265(3) Uani 1 1 d . . . . .
O4 O -0.14434(11) -0.31396(11) 0.33494(7) 0.0261(3) Uani 1 1 d . . . . .
O5 O -0.12656(10) -0.45301(11) 0.19125(8) 0.0257(3) Uani 1 1 d . . . . .
O6 O -0.18860(11) -0.38361(11) 0.05529(7) 0.0266(3) Uani 1 1 d . . . . .
Si1 Si 0.51229(4) 0.28575(4) 0.39390(3) 0.02033(11) Uani 1 1 d . . . . .
Si2 Si 0.05529(4) 0.04409(4) 0.26581(3) 0.01896(11) Uani 1 1 d . . . . .
K1 K -0.26512(3) -0.30932(3) 0.19538(2) 0.02234(9) Uani 1 1 d . . . . .
Fe1 Fe 0.31259(2) 0.14274(2) 0.26290(2) 0.01721(7) Uani 1 1 d . . . . .
H52 H -0.0894 -0.6656 0.4479 0.043 Uiso 0.5 1 calc R U P A -1
H53 H -0.1929 -0.5803 0.5329 0.066 Uiso 0.5 1 calc R U P A -1
H54 H -0.1177 -0.3945 0.6052 0.074 Uiso 0.5 1 calc R U P A -1
H55 H 0.0611 -0.2941 0.5925 0.053 Uiso 0.5 1 calc R U P A -1
H56 H 0.1646 -0.3794 0.5074 0.030 Uiso 0.5 1 calc R U P A -1
H57A H 0.1616 -0.6185 0.4451 0.079 Uiso 0.5 1 calc R U P A -1
H57B H 0.1608 -0.5283 0.3931 0.079 Uiso 0.5 1 calc R U P A -1
H57C H 0.0629 -0.6430 0.3721 0.079 Uiso 0.5 1 calc R U P A -1
C51 C 0.0473(3) -0.5305(3) 0.46965(19) 0.0298(9) Uani 0.5 1 d DG . P A -1
C52 C -0.0589(3) -0.5902(2) 0.4772(2) 0.0356(16) Uani 0.5 1 d DG . P A -1
C53 C -0.1204(2) -0.5395(4) 0.5277(3) 0.0548(15) Uani 0.5 1 d G . P A -1
C54 C -0.0757(3) -0.4292(4) 0.5707(2) 0.062(2) Uani 0.5 1 d G . P A -1
C55 C 0.0305(3) -0.3695(2) 0.5631(2) 0.0441(13) Uani 0.5 1 d G . P A -1
C56 C 0.0920(2) -0.4202(3) 0.5126(2) 0.0253(13) Uani 0.5 1 d DG . P A -1
C57 C 0.1139(4) -0.5848(5) 0.4153(4) 0.0527(17) Uani 0.5 1 d D . P A -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'
O O 0.0106 0.0060 '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'
K K 0.2009 0.2494 '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
C2 C1 N1 120.44(15) . .
C6 C1 C2 118.54(16) . .
C6 C1 N1 121.01(15) . .
C1 C2 C7 121.38(15) . .
C3 C2 C1 119.73(17) . .
C3 C2 C7 118.84(16) . .
C2 C3 H3 119.2 . .
C2 C3 K1 129.56(12) . 1_665
C4 C3 H3 119.2 . .
C4 C3 C2 121.57(17) . .
C4 C3 K1 65.14(10) . 1_665
K1 C3 H3 77.2 1_665 .
C3 C4 H4 120.6 . .
C3 C4 K1 91.47(11) . 1_665
C5 C4 H4 120.6 . .
C5 C4 C3 118.83(17) . .
C5 C4 K1 116.01(13) . 1_665
K1 C4 H4 62.9 1_665 .
C4 C5 H5 119.0 . .
C4 C5 C6 122.01(18) . .
C6 C5 H5 119.0 . .
C1 C6 C10 121.55(16) . .
C5 C6 C1 119.24(17) . .
C5 C6 C10 119.20(17) . .
C2 C7 H7 108.0 . .
C2 C7 C8 111.92(16) . .
C2 C7 C9 110.42(15) . .
C8 C7 H7 108.0 . .
C9 C7 H7 108.0 . .
C9 C7 C8 110.44(15) . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C9 H9A 109.5 . .
C7 C9 H9B 109.5 . .
C7 C9 H9C 109.5 . .
C6 C10 H10 107.6 . .
C6 C10 C11 111.70(17) . .
C6 C10 C12 111.66(17) . .
C11 C10 H10 107.6 . .
C11 C10 C12 110.46(19) . .
C12 C10 H10 107.6 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
Si1 C13 H13A 109.5 . .
Si1 C13 H13B 109.5 . .
Si1 C13 H13C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si1 C14 H14A 109.5 . .
Si1 C14 H14B 109.5 . .
Si1 C14 H14C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
Si1 C15 H15A 109.5 . .
Si1 C15 H15B 109.5 . .
Si1 C15 H15C 109.5 . .
C17 C16 C21 118.35(16) . .
N2 C16 C17 120.35(15) . .
N2 C16 C21 121.30(15) . .
C16 C17 C22 120.74(15) . .
C18 C17 C16 119.71(16) . .
C18 C17 C22 119.55(16) . .
C17 C18 H18 119.2 . .
C19 C18 H18 119.2 . .
C19 C18 C17 121.54(18) . .
C18 C19 H19 120.4 . .
C18 C19 C20 119.14(17) . .
C20 C19 H19 120.4 . .
C19 C20 H20 119.2 . .
C19 C20 C21 121.65(17) . .
C21 C20 H20 119.2 . .
C16 C21 C25 121.23(16) . .
C20 C21 C16 119.46(17) . .
C20 C21 C25 119.31(16) . .
C17 C22 H22 107.3 . .
C17 C22 C23 112.44(15) . .
C23 C22 H22 107.3 . .
C24 C22 H22 107.3 . .
C24 C22 C17 111.66(16) . .
C24 C22 C23 110.68(17) . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
C21 C25 H25 107.4 . .
C21 C25 C26 111.88(15) . .
C21 C25 C27 111.93(15) . .
C26 C25 H25 107.4 . .
C26 C25 C27 110.44(15) . .
C27 C25 H25 107.4 . .
H26A C26 H26B 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H27A C27 H27B 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H28A C28 H28B 106.9(17) . .
H28A C28 H28C 109.1(17) . .
H28B C28 H28C 109.4(18) . .
Si2 C28 H28A 111.2(12) . .
Si2 C28 H28B 111.3(13) . .
Si2 C28 H28C 108.9(13) . .
Si2 C28 K1 167.91(11) . .
K1 C28 H28A 80.9(12) . .
K1 C28 H28B 64.4(13) . .
K1 C28 H28C 64.3(12) . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
Si2 C29 H29A 109.5 . .
Si2 C29 H29B 109.5 . .
Si2 C29 H29C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
Si2 C30 H30A 109.5 . .
Si2 C30 H30B 109.5 . .
Si2 C30 H30C 109.5 . .
H31A C31 H31B 108.3 . .
C32 C31 H31A 109.9 . .
C32 C31 H31B 109.9 . .
O4 C31 H31A 109.9 . .
O4 C31 H31B 109.9 . .
O4 C31 C32 108.86(15) . .
H32A C32 H32B 108.4 . .
C31 C32 H32A 110.0 . .
C31 C32 H32B 110.0 . .
O3 C32 H32A 110.0 . .
O3 C32 H32B 110.0 . .
O3 C32 C31 108.25(15) . .
H33A C33 H33B 108.4 . .
C34 C33 H33A 110.0 . .
C34 C33 H33B 110.0 . .
O3 C33 H33A 110.0 . .
O3 C33 H33B 110.0 . .
O3 C33 C34 108.59(16) . .
H34A C34 H34B 108.4 . .
C33 C34 H34A 110.0 . .
C33 C34 H34B 110.0 . .
O2 C34 H34A 110.0 . .
O2 C34 H34B 110.0 . .
O2 C34 C33 108.44(16) . .
H35A C35 H35B 108.4 . .
C36 C35 H35A 110.1 . .
C36 C35 H35B 110.1 . .
O2 C35 H35A 110.1 . .
O2 C35 H35B 110.1 . .
O2 C35 C36 108.19(16) . .
H36A C36 H36B 108.3 . .
C35 C36 H36A 109.9 . .
C35 C36 H36B 109.9 . .
O1 C36 H36A 109.9 . .
O1 C36 H36B 109.9 . .
O1 C36 C35 108.98(15) . .
H37A C37 H37B 108.3 . .
C38 C37 H37A 110.0 . .
C38 C37 H37B 110.0 . .
O1 C37 H37A 110.0 . .
O1 C37 H37B 110.0 . .
O1 C37 C38 108.64(15) . .
H38A C38 H38B 108.2 . .
C37 C38 H38A 109.8 . .
C37 C38 H38B 109.8 . .
O6 C38 H38A 109.8 . .
O6 C38 H38B 109.8 . .
O6 C38 C37 109.38(15) . .
H39A C39 H39B 108.3 . .
C40 C39 H39A 109.8 . .
C40 C39 H39B 109.8 . .
O6 C39 H39A 109.8 . .
O6 C39 H39B 109.8 . .
O6 C39 C40 109.17(16) . .
H40A C40 H40B 108.3 . .
C39 C40 H40A 110.0 . .
C39 C40 H40B 110.0 . .
O5 C40 H40A 110.0 . .
O5 C40 H40B 110.0 . .
O5 C40 C39 108.69(16) . .
H41A C41 H41B 108.3 . .
C42 C41 H41A 110.0 . .
C42 C41 H41B 110.0 . .
O5 C41 H41A 110.0 . .
O5 C41 H41B 110.0 . .
O5 C41 C42 108.67(16) . .
H42A C42 H42B 108.3 . .
C41 C42 H42A 109.9 . .
C41 C42 H42B 109.9 . .
C41 C42 K1 83.01(11) . .
O4 C42 H42A 109.9 . .
O4 C42 H42B 109.9 . .
O4 C42 C41 108.99(16) . .
O4 C42 K1 46.61(8) . .
K1 C42 H42A 84.2 . .
K1 C42 H42B 156.5 . .
C1 N1 Si1 123.66(11) . .
C1 N1 Fe1 118.94(11) . .
Si1 N1 Fe1 117.39(8) . .
C16 N2 Si2 122.66(11) . .
C16 N2 Fe1 115.43(11) . .
Si2 N2 Fe1 121.42(8) . .
C36 O1 K1 116.59(10) . .
C37 O1 C36 111.30(14) . .
C37 O1 K1 114.54(11) . .
C34 O2 K1 114.94(11) . .
C35 O2 C34 112.32(15) . .
C35 O2 K1 109.74(11) . .
C32 O3 K1 113.32(11) . .
C33 O3 C32 112.65(14) . .
C33 O3 K1 116.78(11) . .
C31 O4 K1 115.09(11) . .
C42 O4 C31 112.46(14) . .
C42 O4 K1 111.21(11) . .
C40 O5 C41 111.68(15) . .
C40 O5 K1 115.30(11) . .
C41 O5 K1 115.80(11) . .
C38 O6 K1 117.33(11) . .
C39 O6 C38 111.79(14) . .
C39 O6 K1 116.52(11) . .
C14 Si1 C13 105.85(10) . .
C14 Si1 C15 109.41(9) . .
C15 Si1 C13 105.41(9) . .
N1 Si1 C13 115.30(8) . .
N1 Si1 C14 109.67(8) . .
N1 Si1 C15 110.94(8) . .
C28 Si2 C29 106.49(9) . .
C30 Si2 C28 109.02(10) . .
C30 Si2 C29 105.71(9) . .
N2 Si2 C28 110.05(8) . .
N2 Si2 C29 114.07(8) . .
N2 Si2 C30 111.25(8) . .
H28B K1 H28C 31.9(6) . .
C3 K1 H28B 150.7(5) 1_445 .
C3 K1 H28C 164.2(4) 1_445 .
C3 K1 C42 91.10(5) 1_445 .
C4 K1 H28B 168.8(5) 1_445 .
C4 K1 H28C 158.5(4) 1_445 .
C4 K1 C3 23.39(5) 1_445 1_445
C4 K1 C28 167.57(5) 1_445 .
C4 K1 C42 88.91(5) 1_445 .
C28 K1 H28B 17.9(5) . .
C28 K1 H28C 17.4(4) . .
C28 K1 C3 168.44(5) . 1_445
C28 K1 C42 92.63(6) . .
C42 K1 H28B 101.8(4) . .
C42 K1 H28C 75.4(4) . .
O1 K1 H28B 92.1(4) . .
O1 K1 H28C 111.6(4) . .
O1 K1 C3 83.89(4) . 1_445
O1 K1 C4 78.45(5) . 1_445
O1 K1 C28 96.30(5) . .
O1 K1 C42 159.08(4) . .
O1 K1 O2 60.45(4) . .
O1 K1 O5 117.95(4) . .
O2 K1 H28B 64.8(5) . .
O2 K1 H28C 96.5(4) . .
O2 K1 C3 88.39(5) . 1_445
O2 K1 C4 104.88(5) . 1_445
O2 K1 C28 81.72(5) . .
O2 K1 C42 139.92(5) . .
O3 K1 H28B 66.9(5) . .
O3 K1 H28C 79.6(4) . .
O3 K1 C3 90.05(4) . 1_445
O3 K1 C4 112.57(5) . 1_445
O3 K1 C28 79.83(5) . .
O3 K1 C42 80.09(5) . .
O3 K1 O1 120.09(4) . .
O3 K1 O2 59.84(4) . .
O3 K1 O5 121.96(4) . .
O3 K1 O6 166.47(4) . .
O4 K1 H28B 83.2(4) . .
O4 K1 H28C 62.6(4) . .
O4 K1 C3 101.95(4) . 1_445
O4 K1 C4 106.58(5) . 1_445
O4 K1 C28 78.16(5) . .
O4 K1 C42 22.18(4) . .
O4 K1 O1 174.10(4) . .
O4 K1 O2 120.05(4) . .
O4 K1 O3 61.27(4) . .
O4 K1 O5 61.05(4) . .
O4 K1 O6 117.27(4) . .
O5 K1 H28B 111.6(5) . .
O5 K1 H28C 80.0(4) . .
O5 K1 C3 95.72(5) . 1_445
O5 K1 C4 78.51(5) . 1_445
O5 K1 C28 94.40(5) . .
O5 K1 C42 42.23(4) . .
O5 K1 O2 175.45(4) . .
O6 K1 H28B 99.7(5) . .
O6 K1 H28C 88.0(4) . .
O6 K1 C3 103.23(4) . 1_445
O6 K1 C4 80.92(5) . 1_445
O6 K1 C28 86.69(5) . .
O6 K1 C42 101.96(5) . .
O6 K1 O1 59.90(4) . .
O6 K1 O2 117.15(4) . .
O6 K1 O5 60.01(4) . .
N2 Fe1 N1 172.65(6) . .
C52 C51 C56 120.0 . .
C52 C51 C57 120.2(3) . .
C56 C51 C57 119.8(3) . .
C51 C52 H52 120.0 . .
C51 C52 C53 120.0 . .
C53 C52 H52 120.0 . .
C52 C53 H53 120.0 . .
C54 C53 H53 120.0 . .
C54 C53 C52 120.0 . .
C53 C54 H54 120.0 . .
C55 C54 H54 120.0 . .
C55 C54 C53 120.0 . .
C54 C55 H55 120.0 . .
C54 C55 C56 120.0 . .
C56 C55 H55 120.0 . .
C51 C56 H56 120.0 . .
C55 C56 H56 120.0 . .
C55 C56 C51 120.0 . .
H57A C57 H57B 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C51 C57 H57A 109.5 . .
C51 C57 H57B 109.5 . .
C51 C57 H57C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.419(2) .
C1 C6 1.418(2) .
C1 N1 1.423(2) .
C2 C3 1.396(2) .
C2 C7 1.517(3) .
C3 H3 0.9500 .
C3 C4 1.384(3) .
C3 K1 3.4857(19) 1_665
C4 H4 0.9500 .
C4 C5 1.380(3) .
C4 K1 3.1639(19) 1_665
C5 H5 0.9500 .
C5 C6 1.400(3) .
C6 C10 1.512(3) .
C7 H7 1.0000 .
C7 C8 1.533(3) .
C7 C9 1.532(3) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10 1.0000 .
C10 C11 1.531(3) .
C10 C12 1.537(3) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.424(2) .
C16 C21 1.425(2) .
C17 C18 1.392(2) .
C17 C22 1.523(2) .
C18 H18 0.9500 .
C18 C19 1.384(3) .
C19 H19 0.9500 .
C19 C20 1.387(3) .
C20 H20 0.9500 .
C20 C21 1.394(2) .
C21 C25 1.522(3) .
C22 H22 1.0000 .
C22 C23 1.529(3) .
C22 C24 1.520(3) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25 1.0000 .
C25 C26 1.532(2) .
C25 C27 1.534(3) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.96(2) .
C28 H28B 0.99(2) .
C28 H28C 0.96(2) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C31 C32 1.493(3) .
C31 O4 1.428(2) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C32 O3 1.433(2) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C33 C34 1.497(3) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C34 O2 1.431(2) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C35 C36 1.497(3) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C36 O1 1.428(2) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C37 C38 1.490(3) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C38 O6 1.425(2) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C39 C40 1.500(3) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C40 O5 1.421(2) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C41 C42 1.497(3) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C42 O4 1.427(2) .
N2 C16 1.419(2) .
O1 C37 1.427(2) .
O2 C35 1.426(2) .
O3 C33 1.421(2) .
O5 C41 1.427(2) .
O6 C39 1.421(2) .
Si1 C13 1.880(2) .
Si1 C14 1.871(2) .
Si1 C15 1.8766(19) .
Si1 N1 1.7136(15) .
Si2 C28 1.881(2) .
Si2 C29 1.881(2) .
Si2 C30 1.872(2) .
Si2 N2 1.7060(15) .
K1 H28B 2.91(2) .
K1 H28C 2.91(2) .
K1 C3 3.4858(19) 1_445
K1 C4 3.1639(19) 1_445
K1 C28 3.198(2) .
K1 C42 3.523(2) .
K1 O1 2.8004(14) .
K1 O2 2.8129(14) .
K1 O3 2.7830(14) .
K1 O4 2.7463(14) .
K1 O5 2.8024(14) .
K1 O6 2.7861(14) .
Fe1 N1 1.9147(14) .
Fe1 N2 1.9135(14) .
C51 C52 1.3900 .
C51 C56 1.3900 .
C51 C57 1.499(2) .
C52 H52 0.9500 .
C52 C53 1.3900 .
C53 H53 0.9500 .
C53 C54 1.3900 .
C54 H54 0.9500 .
C54 C55 1.3900 .
C55 H55 0.9500 .
C55 C56 1.3900 .
C56 H56 0.9500 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C1 C2 C3 C4 -0.7(3) . .
C1 C2 C3 K1 -83.09(19) . 1_665
C1 C2 C7 C8 128.27(17) . .
C1 C2 C7 C9 -108.27(18) . .
C1 C6 C10 C11 -118.5(2) . .
C1 C6 C10 C12 117.3(2) . .
C2 C1 C6 C5 -2.6(2) . .
C2 C1 C6 C10 178.07(16) . .
C2 C1 N1 Si1 -91.39(18) . .
C2 C1 N1 Fe1 89.47(17) . .
C2 C3 C4 C5 -1.6(3) . .
C2 C3 C4 K1 -122.63(16) . 1_665
C3 C2 C7 C8 -54.4(2) . .
C3 C2 C7 C9 69.0(2) . .
C3 C4 C5 C6 1.8(3) . .
C4 C5 C6 C1 0.3(3) . .
C4 C5 C6 C10 179.64(17) . .
C5 C6 C10 C11 62.2(2) . .
C5 C6 C10 C12 -62.0(2) . .
C6 C1 C2 C3 2.8(2) . .
C6 C1 C2 C7 -179.91(16) . .
C6 C1 N1 Si1 89.00(18) . .
C6 C1 N1 Fe1 -90.14(17) . .
C7 C2 C3 C4 -178.04(17) . .
C7 C2 C3 K1 99.56(18) . 1_665
C13 Si1 N1 C1 -92.51(15) . .
C13 Si1 N1 Fe1 86.64(11) . .
C14 Si1 N1 C1 148.17(14) . .
C14 Si1 N1 Fe1 -32.68(11) . .
C15 Si1 N1 C1 27.20(16) . .
C15 Si1 N1 Fe1 -153.65(9) . .
C16 C17 C18 C19 2.7(3) . .
C16 C17 C22 C23 -133.89(18) . .
C16 C17 C22 C24 101.0(2) . .
C16 C21 C25 C26 -117.95(18) . .
C16 C21 C25 C27 117.47(18) . .
C17 C16 C21 C20 2.9(2) . .
C17 C16 C21 C25 -177.94(15) . .
C17 C18 C19 C20 0.9(3) . .
C18 C17 C22 C23 46.4(2) . .
C18 C17 C22 C24 -78.7(2) . .
C18 C19 C20 C21 -2.6(3) . .
C19 C20 C21 C16 0.7(3) . .
C19 C20 C21 C25 -178.54(16) . .
C20 C21 C25 C26 61.3(2) . .
C20 C21 C25 C27 -63.3(2) . .
C21 C16 C17 C18 -4.5(2) . .
C21 C16 C17 C22 175.81(15) . .
C22 C17 C18 C19 -177.60(16) . .
C28 Si2 N2 C16 -15.28(16) . .
C28 Si2 N2 Fe1 173.15(10) . .
C29 Si2 C28 K1 -7.9(5) . .
C29 Si2 N2 C16 104.32(14) . .
C29 Si2 N2 Fe1 -67.25(11) . .
C30 Si2 C28 K1 -121.5(5) . .
C30 Si2 N2 C16 -136.22(14) . .
C30 Si2 N2 Fe1 52.21(12) . .
C31 C32 O3 C33 174.56(15) . .
C31 C32 O3 K1 -50.08(17) . .
C32 C31 O4 C42 -177.01(16) . .
C32 C31 O4 K1 -48.27(18) . .
C32 O3 C33 C34 -178.87(15) . .
C33 C34 O2 C35 175.52(15) . .
C33 C34 O2 K1 49.10(17) . .
C34 O2 C35 C36 169.84(15) . .
C35 C36 O1 C37 -170.93(16) . .
C35 C36 O1 K1 -37.03(19) . .
C36 O1 C37 C38 -173.27(15) . .
C37 C38 O6 C39 -179.15(16) . .
C37 C38 O6 K1 42.45(18) . .
C38 O6 C39 C40 175.28(16) . .
C39 C40 O5 C41 176.17(16) . .
C39 C40 O5 K1 -48.92(19) . .
C40 O5 C41 C42 171.42(17) . .
C41 C42 O4 C31 -169.43(16) . .
C41 C42 O4 K1 59.83(18) . .
N1 C1 C2 C3 -176.81(15) . .
N1 C1 C2 C7 0.5(2) . .
N1 C1 C6 C5 177.00(15) . .
N1 C1 C6 C10 -2.3(3) . .
N2 C16 C17 C18 175.07(15) . .
N2 C16 C17 C22 -4.6(2) . .
N2 C16 C21 C20 -176.73(15) . .
N2 C16 C21 C25 2.5(2) . .
N2 Si2 C28 K1 116.2(5) . .
O1 C37 C38 O6 -62.0(2) . .
O2 C35 C36 O1 66.4(2) . .
O3 C33 C34 O2 -63.4(2) . .
O4 C31 C32 O3 65.7(2) . .
O5 C41 C42 O4 -64.8(2) . .
O5 C41 C42 K1 -25.58(13) . .
O6 C39 C40 O5 62.5(2) . .
Si2 N2 C16 C17 92.22(17) . .
Si2 N2 C16 C21 -88.21(18) . .
K1 C3 C4 C5 120.99(18) 1_665 .
K1 C4 C5 C6 109.36(17) 1_665 .
K1 C42 O4 C31 130.74(16) . .
K1 O1 C37 C38 51.83(16) . .
K1 O2 C35 C36 -60.99(16) . .
K1 O3 C33 C34 47.42(18) . .
K1 O5 C41 C42 36.76(19) . .
K1 O6 C39 C40 -45.96(18) . .
Fe1 N2 C16 C17 -95.75(16) . .
Fe1 N2 C16 C21 83.83(17) . .
C51 C52 C53 C54 0.0 . .
C52 C51 C56 C55 0.0 . .
C52 C53 C54 C55 0.0 . .
C53 C54 C55 C56 0.0 . .
C54 C55 C56 C51 0.0 . .
C56 C51 C52 C53 0.0 . .
C57 C51 C52 C53 -180.0(5) . .
C57 C51 C56 C55 180.0(5) . .
