#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:41:12 +0300 (Wed, 05 May 2021) $
#$Revision: 264903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/69/7706915.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_7706915
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         'C37 H60 Co K N2 Si2'
_chemical_formula_sum            'C37 H60 Co K N2 Si2'
_chemical_formula_weight         687.08
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2020-06-17
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-06-18 deposited with the CCDC.	2021-03-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 128.3810(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.6815(11)
_cell_length_b                   25.6246(11)
_cell_length_c                   15.9053(7)
_cell_measurement_reflns_used    9216
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.052
_cell_measurement_theta_min      2.558
_cell_volume                     7885.5(6)
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0701
_diffrn_reflns_av_unetI/netI     0.0234
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            141451
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.106
_diffrn_reflns_theta_min         2.279
_exptl_absorpt_coefficient_mu    0.627
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1310 before and 0.0587 after correction. The Ratio of minimum to maximum transmission is 0.9257. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'clear dark green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.157
_exptl_crystal_description       needle
_exptl_crystal_F_000             2960
_exptl_crystal_size_max          0.567
_exptl_crystal_size_mid          0.191
_exptl_crystal_size_min          0.143
_refine_diff_density_max         0.279
_refine_diff_density_min         -0.309
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.211
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     414
_refine_ls_number_reflns         7826
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.211
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0399
_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)+(0.0129P)²+19.4738P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0788
_refine_ls_wR_factor_ref         0.0817
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6748
_reflns_number_total             7826
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00121c2.cif
_cod_data_source_block           4_kco
_cod_depositor_comments
'Adding full bibliography for 7706910--7706927.cif.'
_cod_database_code               7706915
_shelx_shelxl_version_number     2017/1
_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   0.916
_shelx_estimated_absorpt_t_min   0.717
_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.a Ternary CH refined with riding coordinates:
 C00F(H00F), C00H(H00H), C00I(H00I), C00N(H00N)
2.b Aromatic/amide H refined with riding coordinates:
 C008(H008), C00D(H00D), C00E(H00E), C00G(H00G), C00M(H00M), C00O(H00O),
 C00U(H00Z), C00W(H0AA), C010(H010), C011(H011), C012(H012)
2.c Idealised Me refined as rotating group:
 C00P(H00J,H00K,H00L), C00Q(H00P,H00Q,H00R), C00R(H00S,H00T,H00U), C00S(H00V,
 H00W,H00X), C00T(H00Y,H,HA), C00V(H00,HB,HC), C00X(H1AA,HD,HE), C00Y(H2AA,HF,
 HG), C00Z(H3AA,HH,HI), C013(H01A,H01B,H01C), C014(H01D,H01E,H01F), C015(H01G,
 H01H,H01I), C016(H01J,H01K,H01L), C017(H01M,H01N,H01O)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_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
Co1 Co 0.68599(2) 0.63371(2) 0.57522(2) 0.01332(7) Uani 1 1 d . . . . .
K1 K 0.77957(3) 0.59332(2) 0.84718(4) 0.02072(11) Uani 1 1 d . . . . .
Si2 Si 0.59824(3) 0.73333(2) 0.50359(5) 0.01889(14) Uani 1 1 d . . . . .
Si1 Si 0.69534(4) 0.56892(3) 0.42370(5) 0.02187(15) Uani 1 1 d . . . . .
N1 N 0.72663(9) 0.57924(7) 0.55267(14) 0.0141(4) Uani 1 1 d . . . . .
N2 N 0.64628(9) 0.68733(7) 0.60137(14) 0.0147(4) Uani 1 1 d . . . . .
C2 C 0.66641(11) 0.68613(8) 0.70579(17) 0.0123(4) Uani 1 1 d . . . . .
C008 C 0.74974(11) 0.70687(8) 0.89624(17) 0.0164(5) Uani 1 1 d . . . . .
H008 H 0.790240 0.724779 0.952826 0.020 Uiso 1 1 calc R . . . .
C009 C 0.62919(11) 0.65624(8) 0.73059(17) 0.0147(4) Uani 1 1 d . . . . .
C00A C 0.72654(11) 0.71331(8) 0.79160(17) 0.0137(4) Uani 1 1 d . . . . .
C00B C 0.74663(11) 0.50053(8) 0.65753(17) 0.0152(4) Uani 1 1 d . . . . .
C1 C 0.77118(11) 0.54697(8) 0.64213(17) 0.0136(4) Uani 1 1 d . . . . .
C00D C 0.65504(12) 0.65077(9) 0.83655(18) 0.0182(5) Uani 1 1 d . . . . .
H00D H 0.630594 0.629736 0.852171 0.022 Uiso 1 1 calc R . . . .
C00E C 0.79075(12) 0.47131(9) 0.75098(18) 0.0213(5) Uani 1 1 d . . . . .
H00E H 0.773729 0.440718 0.761218 0.026 Uiso 1 1 calc R . . . .
C00F C 0.67265(11) 0.48332(8) 0.57271(18) 0.0170(5) Uani 1 1 d . . . . .
H00F H 0.656291 0.499853 0.503591 0.020 Uiso 1 1 calc R . . . .
C00G C 0.71564(12) 0.67524(9) 0.92022(18) 0.0194(5) Uani 1 1 d . . . . .
H00G H 0.733266 0.670326 0.992387 0.023 Uiso 1 1 calc R . . . .
C00H C 0.76731(12) 0.74728(9) 0.77081(18) 0.0188(5) Uani 1 1 d . . . . .
H00H H 0.736279 0.756489 0.692873 0.023 Uiso 1 1 calc R . . . .
C00I C 0.87293(12) 0.60453(10) 0.6991(2) 0.0242(5) Uani 1 1 d . . . . .
H00I H 0.836373 0.631807 0.657152 0.029 Uiso 1 1 calc R . . . .
C00J C 0.72773(15) 0.50460(10) 0.4121(2) 0.0215(5) Uani 1 1 d . . . . .
C00K C 0.84244(11) 0.55994(9) 0.72061(18) 0.0190(5) Uani 1 1 d . . . . .
C00L C 0.90788(12) 0.66137(10) 1.13925(19) 0.0246(5) Uani 1 1 d . . . . .
C00M C 0.85900(13) 0.48603(10) 0.82929(19) 0.0276(6) Uani 1 1 d . . . . .
H00M H 0.888036 0.466391 0.893589 0.033 Uiso 1 1 calc R . . . .
C00N C 0.56021(11) 0.63204(9) 0.64117(18) 0.0191(5) Uani 1 1 d . . . . .
H00N H 0.560248 0.624930 0.579382 0.023 Uiso 1 1 calc R . . . .
C00O C 0.88415(12) 0.52948(10) 0.8126(2) 0.0269(6) Uani 1 1 d . . . . .
H00O H 0.931236 0.538926 0.865413 0.032 Uiso 1 1 calc R . . . .
C00P C 0.62590(13) 0.50292(10) 0.5981(2) 0.0301(6) Uani 1 1 d . . . . .
H00J H 0.638242 0.485426 0.662723 0.045 Uiso 1 1 calc GR . . . .
H00K H 0.577615 0.495239 0.537715 0.045 Uiso 1 1 calc GR . . . .
H00L H 0.631811 0.540689 0.610317 0.045 Uiso 1 1 calc GR . . . .
C00Q C 0.54514(13) 0.58083(9) 0.6723(2) 0.0248(5) Uani 1 1 d . . . . .
H00P H 0.585198 0.557612 0.706075 0.037 Uiso 1 1 calc GR . . . .
H00Q H 0.504685 0.564056 0.607917 0.037 Uiso 1 1 calc GR . . . .
H00R H 0.535864 0.587961 0.722822 0.037 Uiso 1 1 calc GR . . . .
C00R C 0.82864(13) 0.71709(10) 0.7945(2) 0.0285(6) Uani 1 1 d . . . . .
H00S H 0.860248 0.707887 0.870762 0.043 Uiso 1 1 calc GR . . . .
H00T H 0.852996 0.738786 0.776781 0.043 Uiso 1 1 calc GR . . . .
H00U H 0.812100 0.685182 0.751193 0.043 Uiso 1 1 calc GR . . . .
C00S C 0.79167(15) 0.79809(10) 0.8346(2) 0.0305(6) Uani 1 1 d . . . . .
H00V H 0.751573 0.817795 0.816199 0.046 Uiso 1 1 calc GR . . . .
H00W H 0.816737 0.818925 0.817041 0.046 Uiso 1 1 calc GR . . . .
H00X H 0.822328 0.790173 0.911487 0.046 Uiso 1 1 calc GR . . . .
C00T C 0.66583(14) 0.42431(9) 0.5553(2) 0.0302(6) Uani 1 1 d . . . . .
H00Y H 0.700438 0.412008 0.548294 0.045 Uiso 1 1 calc GR . . . .
H H 0.619467 0.415962 0.489812 0.045 Uiso 1 1 calc GR . . . .
HA H 0.673207 0.407117 0.616737 0.045 Uiso 1 1 calc GR . . . .
C00U C 0.93734(12) 0.65190(10) 1.08967(19) 0.0271(6) Uani 1 1 d . . . . .
H00Z H 0.953481 0.680443 1.072529 0.033 Uiso 1 1 calc R . . . .
C00V C 0.58733(14) 0.79351(9) 0.5597(2) 0.0284(6) Uani 1 1 d . . . . .
H00 H 0.569776 0.783586 0.598286 0.043 Uiso 1 1 calc GR . . . .
HB H 0.554471 0.817249 0.500861 0.043 Uiso 1 1 calc GR . . . .
HC H 0.632059 0.811032 0.609017 0.043 Uiso 1 1 calc GR . . . .
C00W C 0.94376(14) 0.60143(11) 1.0645(2) 0.0335(6) Uani 1 1 d . . . . .
H0AA H 0.964536 0.595735 1.031173 0.040 Uiso 1 1 calc R . . . .
C00X C 0.51056(13) 0.70844(11) 0.3885(2) 0.0337(6) Uani 1 1 d . . . . .
H1AA H 0.515614 0.676102 0.361031 0.051 Uiso 1 1 calc GR . . . .
HD H 0.486951 0.734670 0.331293 0.051 Uiso 1 1 calc GR . . . .
HE H 0.483331 0.701551 0.412995 0.051 Uiso 1 1 calc GR . . . .
C00Y C 0.50217(12) 0.67146(10) 0.6040(2) 0.0277(6) Uani 1 1 d . . . . .
H2AA H 0.499459 0.677465 0.662176 0.042 Uiso 1 1 calc GR . . . .
HF H 0.458009 0.657525 0.541312 0.042 Uiso 1 1 calc GR . . . .
HG H 0.512094 0.704483 0.584948 0.042 Uiso 1 1 calc GR . . . .
C00Z C 0.64086(15) 0.75305(10) 0.4439(2) 0.0314(6) Uani 1 1 d . . . . .
H3AA H 0.687624 0.765795 0.500755 0.047 Uiso 1 1 calc GR . . . .
HH H 0.613857 0.780799 0.391115 0.047 Uiso 1 1 calc GR . . . .
HI H 0.643420 0.722866 0.408678 0.047 Uiso 1 1 calc GR . . . .
C010 C 0.88356(13) 0.61888(11) 1.1615(2) 0.0314(6) Uani 1 1 d . . . . .
H010 H 0.862691 0.624490 1.194733 0.038 Uiso 1 1 calc R . . . .
C011 C 0.88923(15) 0.56874(11) 1.1362(2) 0.0362(7) Uani 1 1 d . . . . .
H011 H 0.872113 0.540268 1.151808 0.043 Uiso 1 1 calc R . . . .
C012 C 0.91987(14) 0.55960(11) 1.0880(2) 0.0346(6) Uani 1 1 d . . . . .
H012 H 0.924323 0.525019 1.071410 0.042 Uiso 1 1 calc R . . . .
C013 C 0.89245(15) 0.58473(11) 0.6299(2) 0.0366(7) Uani 1 1 d . . . . .
H01A H 0.929825 0.559080 0.670623 0.055 Uiso 1 1 calc GR . . . .
H01B H 0.907910 0.614123 0.610151 0.055 Uiso 1 1 calc GR . . . .
H01C H 0.852080 0.568339 0.564778 0.055 Uiso 1 1 calc GR . . . .
C014 C 0.90465(14) 0.71560(11) 1.1718(2) 0.0335(6) Uani 1 1 d . . . . .
H01D H 0.943075 0.720737 1.248111 0.050 Uiso 1 1 calc GR . . . .
H01E H 0.860736 0.720360 1.159231 0.050 Uiso 1 1 calc GR . . . .
H01F H 0.908031 0.741091 1.129310 0.050 Uiso 1 1 calc GR . . . .
C015 C 0.93593(13) 0.63024(11) 0.8003(2) 0.0354(7) Uani 1 1 d . . . . .
H01G H 0.924176 0.641517 0.846121 0.053 Uiso 1 1 calc GR . . . .
H01H H 0.949942 0.660567 0.780396 0.053 Uiso 1 1 calc GR . . . .
H01I H 0.974064 0.605109 0.839412 0.053 Uiso 1 1 calc GR . . . .
C016 C 0.7222(2) 0.62168(11) 0.3752(3) 0.0488(9) Uani 1 1 d . . . . .
H01J H 0.706296 0.655503 0.381071 0.073 Uiso 1 1 calc GR . . . .
H01K H 0.701764 0.615175 0.300076 0.073 Uiso 1 1 calc GR . . . .
H01L H 0.772725 0.622009 0.418956 0.073 Uiso 1 1 calc GR . . . .
C017 C 0.59852(15) 0.56783(13) 0.3260(2) 0.0471(9) Uani 1 1 d . . . . .
H01M H 0.581116 0.539183 0.344169 0.071 Uiso 1 1 calc GR . . . .
H01N H 0.583501 0.562694 0.253298 0.071 Uiso 1 1 calc GR . . . .
H01O H 0.580320 0.601039 0.329556 0.071 Uiso 1 1 calc GR . . . .
H00A H 0.711(2) 0.4771(17) 0.422(3) 0.086(14) Uiso 1 1 d . . . . .
H00B H 0.715(2) 0.5017(18) 0.346(4) 0.105(16) Uiso 1 1 d . . . . .
H00C H 0.773(2) 0.5035(17) 0.451(4) 0.091(15) Uiso 1 1 d . . . . .
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'
Co Co 0.3494 0.9721 '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'
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'
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
N1 Co1 K1 89.74(6) . . ?
N2 Co1 K1 88.72(6) . . ?
N2 Co1 N1 178.43(8) . . ?
C2 K1 C009 24.82(5) . . ?
C2 K1 C1 94.48(5) . . ?
C2 K1 C00D 43.44(5) . . ?
C2 K1 C00K 106.90(6) . . ?
C2 K1 C00M 143.07(6) . . ?
C2 K1 C00O 130.74(6) . . ?
C2 K1 C00W 129.73(6) . . ?
C2 K1 C012 144.96(6) . . ?
C008 K1 C2 44.17(5) . . ?
C008 K1 C009 50.06(5) . . ?
C008 K1 C00A 24.92(5) . . ?
C008 K1 C1 132.18(6) . . ?
C008 K1 C00D 42.76(6) . . ?
C008 K1 C00G 24.71(6) . . ?
C008 K1 C00K 130.00(6) . . ?
C008 K1 C00M 163.34(6) . . ?
C008 K1 C00O 142.33(6) . . ?
C008 K1 C00W 90.35(6) . . ?
C008 K1 C012 100.86(6) . . ?
C009 K1 C00M 144.88(6) . . ?
C009 K1 C00O 146.89(6) . . ?
C00A K1 C2 25.29(5) . . ?
C00A K1 C009 43.38(5) . . ?
C00A K1 C1 107.45(5) . . ?
C00A K1 C00D 50.25(5) . . ?
C00A K1 C00G 43.96(5) . . ?
C00A K1 C00K 109.86(6) . . ?
C00A K1 C00M 151.30(6) . . ?
C00A K1 C00O 129.43(6) . . ?
C00A K1 C00W 104.46(6) . . ?
C00A K1 C012 121.24(6) . . ?
C1 K1 C009 104.68(5) . . ?
C1 K1 C00M 48.73(5) . . ?
C1 K1 C00O 42.46(5) . . ?
C00D K1 C009 24.04(5) . . ?
C00D K1 C1 127.73(6) . . ?
C00D K1 C00K 148.09(6) . . ?
C00D K1 C00M 153.57(6) . . ?
C00D K1 C00O 169.97(6) . . ?
C00D K1 C00W 121.26(6) . . ?
C00G K1 C2 51.58(5) . . ?
C00G K1 C009 43.13(5) . . ?
C00G K1 C1 145.82(6) . . ?
C00G K1 C00D 24.42(6) . . ?
C00G K1 C00K 153.68(6) . . ?
C00G K1 C00M 164.14(6) . . ?
C00G K1 C00O 164.31(6) . . ?
C00G K1 C00W 97.90(6) . . ?
C00G K1 C012 98.44(7) . . ?
C00K K1 C009 124.08(6) . . ?
C00K K1 C1 24.66(5) . . ?
C00K K1 C00M 41.53(6) . . ?
C00K K1 C00O 23.97(6) . . ?
C00O K1 C00M 23.08(6) . . ?
C00W K1 C009 139.59(6) . . ?
C00W K1 C1 109.45(6) . . ?
C00W K1 C00K 85.39(6) . . ?
C00W K1 C00M 75.50(6) . . ?
C00W K1 C00O 68.74(6) . . ?
C012 K1 C009 140.25(7) . . ?
C012 K1 C1 114.94(6) . . ?
C012 K1 C00D 116.48(7) . . ?
C012 K1 C00K 95.00(7) . . ?
C012 K1 C00M 69.59(6) . . ?
C012 K1 C00O 72.86(7) . . ?
C012 K1 C00W 24.07(7) . . ?
N2 Si2 C00V 110.86(10) . . ?
N2 Si2 C00X 112.42(11) . . ?
N2 Si2 C00Z 110.90(11) . . ?
C00X Si2 C00V 108.85(12) . . ?
C00Z Si2 C00V 108.05(12) . . ?
C00Z Si2 C00X 105.54(13) . . ?
N1 Si1 C00J 110.46(11) . . ?
N1 Si1 C016 111.87(12) . . ?
N1 Si1 C017 113.04(11) . . ?
C016 Si1 C00J 108.07(13) . . ?
C016 Si1 C017 105.37(16) . . ?
C017 Si1 C00J 107.76(13) . . ?
Si1 N1 Co1 116.63(10) . . ?
C1 N1 Co1 114.76(13) . . ?
C1 N1 Si1 127.73(14) . . ?
Si2 N2 Co1 117.72(10) . . ?
C2 N2 Co1 113.26(13) . . ?
C2 N2 Si2 128.73(14) . . ?
N2 C2 K1 110.61(12) . . ?
N2 C2 C009 121.44(19) . . ?
N2 C2 C00A 120.90(19) . . ?
C009 C2 K1 80.86(12) . . ?
C00A C2 K1 76.14(11) . . ?
C00A C2 C009 117.62(19) . . ?
K1 C008 H008 113.7 . . ?
C00A C008 K1 78.66(12) . . ?
C00A C008 H008 119.0 . . ?
C00G C008 K1 78.84(13) . . ?
C00G C008 H008 119.0 . . ?
C00G C008 C00A 122.0(2) . . ?
C2 C009 K1 74.33(11) . . ?
C2 C009 C00N 120.06(19) . . ?
C00D C009 K1 76.36(12) . . ?
C00D C009 C2 120.0(2) . . ?
C00D C009 C00N 119.93(19) . . ?
C00N C009 K1 122.29(14) . . ?
C2 C00A K1 78.57(11) . . ?
C2 C00A C00H 120.62(19) . . ?
C008 C00A K1 76.41(12) . . ?
C008 C00A C2 119.79(19) . . ?
C008 C00A C00H 119.53(19) . . ?
C00H C00A K1 113.21(13) . . ?
C1 C00B K1 71.71(12) . . ?
C1 C00B C00F 119.81(19) . . ?
C00E C00B K1 80.63(13) . . ?
C00E C00B C1 119.9(2) . . ?
C00E C00B C00F 120.3(2) . . ?
C00F C00B K1 118.04(13) . . ?
N1 C1 K1 108.25(12) . . ?
N1 C1 C00B 121.14(19) . . ?
N1 C1 C00K 120.87(19) . . ?
C00B C1 K1 84.53(12) . . ?
C00B C1 C00K 118.0(2) . . ?
C00K C1 K1 76.62(12) . . ?
K1 C00D H00D 117.0 . . ?
C009 C00D K1 79.61(13) . . ?
C009 C00D H00D 119.1 . . ?
C00G C00D K1 74.87(13) . . ?
C00G C00D C009 121.8(2) . . ?
C00G C00D H00D 119.1 . . ?
C00B C00E H00E 119.3 . . ?
C00M C00E C00B 121.3(2) . . ?
C00M C00E H00E 119.3 . . ?
C00B C00F H00F 107.2 . . ?
C00B C00F C00P 111.12(18) . . ?
C00B C00F C00T 112.72(19) . . ?
C00P C00F H00F 107.2 . . ?
C00P C00F C00T 110.95(19) . . ?
C00T C00F H00F 107.2 . . ?
K1 C00G H00G 112.8 . . ?
C008 C00G K1 76.45(13) . . ?
C008 C00G C00D 118.6(2) . . ?
C008 C00G H00G 120.7 . . ?
C00D C00G K1 80.72(13) . . ?
C00D C00G H00G 120.7 . . ?
C00A C00H H00H 107.8 . . ?
C00A C00H C00R 110.30(19) . . ?
C00A C00H C00S 112.71(19) . . ?
C00R C00H H00H 107.8 . . ?
C00R C00H C00S 110.4(2) . . ?
C00S C00H H00H 107.8 . . ?
C00K C00I H00I 107.9 . . ?
C00K C00I C013 109.42(19) . . ?
C00K C00I C015 114.1(2) . . ?
C013 C00I H00I 107.9 . . ?
C015 C00I H00I 107.9 . . ?
C015 C00I C013 109.3(2) . . ?
K1 C00J H00A 76(3) 6_565 . ?
K1 C00J H00B 59(3) 6_565 . ?
K1 C00J H00C 68(3) 6_565 . ?
Si1 C00J K1 167.01(13) . 6_565 ?
Si1 C00J H00A 114(3) . . ?
Si1 C00J H00B 109(3) . . ?
Si1 C00J H00C 113(3) . . ?
H00A C00J H00B 106(4) . . ?
H00A C00J H00C 113(4) . . ?
H00B C00J H00C 101(4) . . ?
C1 C00K K1 78.72(12) . . ?
C1 C00K C00I 119.5(2) . . ?
C00I C00K K1 115.16(14) . . ?
C00O C00K K1 79.98(14) . . ?
C00O C00K C1 119.6(2) . . ?
C00O C00K C00I 120.8(2) . . ?
C00U C00L C010 118.0(2) . . ?
C00U C00L C014 121.1(2) . . ?
C010 C00L C014 120.8(2) . . ?
K1 C00M H00M 114.6 . . ?
C00E C00M K1 81.77(14) . . ?
C00E C00M H00M 120.4 . . ?
C00O C00M K1 73.85(14) . . ?
C00O C00M C00E 119.2(2) . . ?
C00O C00M H00M 120.4 . . ?
C009 C00N H00N 108.1 . . ?
C009 C00N C00Q 113.88(19) . . ?
C009 C00N C00Y 109.09(19) . . ?
C00Q C00N H00N 108.1 . . ?
C00Q C00N C00Y 109.39(19) . . ?
C00Y C00N H00N 108.1 . . ?
K1 C00O H00O 111.9 . . ?
C00K C00O K1 76.04(13) . . ?
C00K C00O H00O 119.1 . . ?
C00M C00O K1 83.07(15) . . ?
C00M C00O C00K 121.8(2) . . ?
C00M C00O H00O 119.1 . . ?
C00F C00P H00J 109.5 . . ?
C00F C00P H00K 109.5 . . ?
C00F C00P H00L 109.5 . . ?
H00J C00P H00K 109.5 . . ?
H00J C00P H00L 109.5 . . ?
H00K C00P H00L 109.5 . . ?
C00N C00Q H00P 109.5 . . ?
C00N C00Q H00Q 109.5 . . ?
C00N C00Q H00R 109.5 . . ?
H00P C00Q H00Q 109.5 . . ?
H00P C00Q H00R 109.5 . . ?
H00Q C00Q H00R 109.5 . . ?
C00H C00R H00S 109.5 . . ?
C00H C00R H00T 109.5 . . ?
C00H C00R H00U 109.5 . . ?
H00S C00R H00T 109.5 . . ?
H00S C00R H00U 109.5 . . ?
H00T C00R H00U 109.5 . . ?
C00H C00S H00V 109.5 . . ?
C00H C00S H00W 109.5 . . ?
C00H C00S H00X 109.5 . . ?
H00V C00S H00W 109.5 . . ?
H00V C00S H00X 109.5 . . ?
H00W C00S H00X 109.5 . . ?
C00F C00T H00Y 109.5 . . ?
C00F C00T H 109.5 . . ?
C00F C00T HA 109.5 . . ?
H00Y C00T H 109.5 . . ?
H00Y C00T HA 109.5 . . ?
H C00T HA 109.5 . . ?
C00L C00U H00Z 119.3 . . ?
C00L C00U C00W 121.3(2) . . ?
C00W C00U H00Z 119.3 . . ?
Si2 C00V H00 109.5 . . ?
Si2 C00V HB 109.5 . . ?
Si2 C00V HC 109.5 . . ?
H00 C00V HB 109.5 . . ?
H00 C00V HC 109.5 . . ?
HB C00V HC 109.5 . . ?
K1 C00W H0AA 98.2 . . ?
C00U C00W K1 94.26(16) . . ?
C00U C00W H0AA 120.0 . . ?
C012 C00W K1 77.47(16) . . ?
C012 C00W C00U 119.9(3) . . ?
C012 C00W H0AA 120.0 . . ?
Si2 C00X H1AA 109.5 . . ?
Si2 C00X HD 109.5 . . ?
Si2 C00X HE 109.5 . . ?
H1AA C00X HD 109.5 . . ?
H1AA C00X HE 109.5 . . ?
HD C00X HE 109.5 . . ?
C00N C00Y H2AA 109.5 . . ?
C00N C00Y HF 109.5 . . ?
C00N C00Y HG 109.5 . . ?
H2AA C00Y HF 109.5 . . ?
H2AA C00Y HG 109.5 . . ?
HF C00Y HG 109.5 . . ?
Si2 C00Z H3AA 109.5 . . ?
Si2 C00Z HH 109.5 . . ?
Si2 C00Z HI 109.5 . . ?
H3AA C00Z HH 109.5 . . ?
H3AA C00Z HI 109.5 . . ?
HH C00Z HI 109.5 . . ?
C00L C010 H010 119.5 . . ?
C011 C010 C00L 121.1(3) . . ?
C011 C010 H010 119.5 . . ?
C010 C011 H011 119.8 . . ?
C010 C011 C012 120.4(3) . . ?
C012 C011 H011 119.8 . . ?
K1 C012 H012 98.1 . . ?
C00W C012 K1 78.46(16) . . ?
C00W C012 C011 119.2(3) . . ?
C00W C012 H012 120.4 . . ?
C011 C012 K1 93.31(17) . . ?
C011 C012 H012 120.4 . . ?
C00I C013 H01A 109.5 . . ?
C00I C013 H01B 109.5 . . ?
C00I C013 H01C 109.5 . . ?
H01A C013 H01B 109.5 . . ?
H01A C013 H01C 109.5 . . ?
H01B C013 H01C 109.5 . . ?
C00L C014 H01D 109.5 . . ?
C00L C014 H01E 109.5 . . ?
C00L C014 H01F 109.5 . . ?
H01D C014 H01E 109.5 . . ?
H01D C014 H01F 109.5 . . ?
H01E C014 H01F 109.5 . . ?
C00I C015 H01G 109.5 . . ?
C00I C015 H01H 109.5 . . ?
C00I C015 H01I 109.5 . . ?
H01G C015 H01H 109.5 . . ?
H01G C015 H01I 109.5 . . ?
H01H C015 H01I 109.5 . . ?
Si1 C016 H01J 109.5 . . ?
Si1 C016 H01K 109.5 . . ?
Si1 C016 H01L 109.5 . . ?
H01J C016 H01K 109.5 . . ?
H01J C016 H01L 109.5 . . ?
H01K C016 H01L 109.5 . . ?
Si1 C017 H01M 109.5 . . ?
Si1 C017 H01N 109.5 . . ?
Si1 C017 H01O 109.5 . . ?
H01M C017 H01N 109.5 . . ?
H01M C017 H01O 109.5 . . ?
H01N C017 H01O 109.5 . . ?
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
Co1 K1 3.5652(6) . ?
Co1 N1 1.8787(17) . ?
Co1 N2 1.8783(17) . ?
K1 C2 3.273(2) . ?
K1 C008 3.214(2) . ?
K1 C009 3.357(2) . ?
K1 C00A 3.242(2) . ?
K1 C1 3.354(2) . ?
K1 C00D 3.316(2) . ?
K1 C00G 3.244(2) . ?
K1 C00K 3.328(2) . ?
K1 C00M 3.489(2) . ?
K1 C00O 3.377(2) . ?
K1 C00W 3.319(3) . ?
K1 C012 3.307(3) . ?
Si2 N2 1.7101(18) . ?
Si2 C00V 1.883(2) . ?
Si2 C00X 1.877(3) . ?
Si2 C00Z 1.871(3) . ?
Si1 N1 1.7051(19) . ?
Si1 C00J 1.890(2) . ?
Si1 C016 1.871(3) . ?
Si1 C017 1.875(3) . ?
N1 C1 1.405(3) . ?
N2 C2 1.408(3) . ?
C2 C009 1.427(3) . ?
C2 C00A 1.427(3) . ?
C008 H008 0.9500 . ?
C008 C00A 1.393(3) . ?
C008 C00G 1.382(3) . ?
C009 C00D 1.390(3) . ?
C009 C00N 1.516(3) . ?
C00A C00H 1.514(3) . ?
C00B C1 1.424(3) . ?
C00B C00E 1.395(3) . ?
C00B C00F 1.513(3) . ?
C1 C00K 1.427(3) . ?
C00D H00D 0.9500 . ?
C00D C00G 1.389(3) . ?
C00E H00E 0.9500 . ?
C00E C00M 1.388(3) . ?
C00F H00F 1.0000 . ?
C00F C00P 1.525(3) . ?
C00F C00T 1.527(3) . ?
C00G H00G 0.9500 . ?
C00H H00H 1.0000 . ?
C00H C00R 1.524(3) . ?
C00H C00S 1.526(3) . ?
C00I H00I 1.0000 . ?
C00I C00K 1.520(3) . ?
C00I C013 1.536(3) . ?
C00I C015 1.528(3) . ?
C00J H00A 0.88(4) . ?
C00J H00B 0.89(5) . ?
C00J H00C 0.88(5) . ?
C00K C00O 1.393(3) . ?
C00L C00U 1.386(4) . ?
C00L C010 1.391(4) . ?
C00L C014 1.502(4) . ?
C00M H00M 0.9500 . ?
C00M C00O 1.378(4) . ?
C00N H00N 1.0000 . ?
C00N C00Q 1.528(3) . ?
C00N C00Y 1.540(3) . ?
C00O H00O 0.9500 . ?
C00P H00J 0.9800 . ?
C00P H00K 0.9800 . ?
C00P H00L 0.9800 . ?
C00Q H00P 0.9800 . ?
C00Q H00Q 0.9800 . ?
C00Q H00R 0.9800 . ?
C00R H00S 0.9800 . ?
C00R H00T 0.9800 . ?
C00R H00U 0.9800 . ?
C00S H00V 0.9800 . ?
C00S H00W 0.9800 . ?
C00S H00X 0.9800 . ?
C00T H00Y 0.9800 . ?
C00T H 0.9800 . ?
C00T HA 0.9800 . ?
C00U H00Z 0.9500 . ?
C00U C00W 1.392(4) . ?
C00V H00 0.9800 . ?
C00V HB 0.9800 . ?
C00V HC 0.9800 . ?
C00W H0AA 0.9500 . ?
C00W C012 1.382(4) . ?
C00X H1AA 0.9800 . ?
C00X HD 0.9800 . ?
C00X HE 0.9800 . ?
C00Y H2AA 0.9800 . ?
C00Y HF 0.9800 . ?
C00Y HG 0.9800 . ?
C00Z H3AA 0.9800 . ?
C00Z HH 0.9800 . ?
C00Z HI 0.9800 . ?
C010 H010 0.9500 . ?
C010 C011 1.379(4) . ?
C011 H011 0.9500 . ?
C011 C012 1.391(4) . ?
C012 H012 0.9500 . ?
C013 H01A 0.9800 . ?
C013 H01B 0.9800 . ?
C013 H01C 0.9800 . ?
C014 H01D 0.9800 . ?
C014 H01E 0.9800 . ?
C014 H01F 0.9800 . ?
C015 H01G 0.9800 . ?
C015 H01H 0.9800 . ?
C015 H01I 0.9800 . ?
C016 H01J 0.9800 . ?
C016 H01K 0.9800 . ?
C016 H01L 0.9800 . ?
C017 H01M 0.9800 . ?
C017 H01N 0.9800 . ?
C017 H01O 0.9800 . ?
