#------------------------------------------------------------------------------
#$Date: 2017-05-27 04:44:59 +0300 (Sat, 27 May 2017) $
#$Revision: 197011 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/83/7228328.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_7228328
loop_
_publ_author_name
'Kowalkowska, Daria'
'Dołęga, Anna'
'Nedelko, Natalia'
'Hnatejko, Zbigniew'
'Ponikiewski, Łukasz'
'Matracka, Alicja'
'Ślawska-Waniewska, Anna'
'Strągowska, Alicja'
'Słowy, Klaudia'
'Gazda, Maria'
'Pladzyk, Agnieszka'
_publ_section_title
;
 Structural, spectral and magnetic properties of Ni(II), Co(II) and Cd(II)
 compounds with imidazole derivatives and silanethiolate ligands
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE00555E
_journal_year                    2017
_chemical_formula_moiety         'C68 H136 Co2 N8 O12 S4 Si4, 6(C H4 O)'
_chemical_formula_sum            'C74 H160 Co2 N8 O18 S4 Si4'
_chemical_formula_weight         1808.55
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2017-02-07T23:20:48-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2017-03-15 deposited with the CCDC.
2017-05-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.85(8)
_cell_angle_beta                 112.01(7)
_cell_angle_gamma                92.77(6)
_cell_formula_units_Z            1
_cell_length_a                   11.947(7)
_cell_length_b                   15.360(14)
_cell_length_c                   15.374(17)
_cell_measurement_reflns_used    1752
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      23.11
_cell_measurement_theta_min      2.74
_cell_volume                     2611(4)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  'parabolic x-ray mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_av_unetI/netI     0.137
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20390
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.498
_diffrn_reflns_theta_min         2.657
_diffrn_source                   'GeniX Mo, 0.05 x 0.05 mm2 microfocus'
_exptl_absorpt_coefficient_mu    0.501
_exptl_absorpt_correction_T_max  0.9606
_exptl_absorpt_correction_T_min  0.9173
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(HABITUS; Herrendorf, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.15
_exptl_crystal_description       plate
_exptl_crystal_F_000             978
_exptl_crystal_size_max          0.242
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.131
_refine_diff_density_max         1.177
_refine_diff_density_min         -1.148
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.913
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         10568
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.913
_refine_ls_R_factor_all          0.1406
_refine_ls_R_factor_gt           0.0671
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0896P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1485
_refine_ls_wR_factor_ref         0.18
_reflns_Friedel_coverage         0
_reflns_number_gt                5513
_reflns_number_total             10568
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce00555e2.cif
_cod_data_source_block           aplado_19
_cod_database_code               7228328
loop_
_symmetry_equiv_pos_as_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
Co1 Co 0.16373(5) 0.21317(4) 0.39912(4) 0.02759(17) Uani 1 1 d . .
S1 S 0.18220(10) 0.30791(8) 0.52157(8) 0.0321(3) Uani 1 1 d . .
S2 S -0.02441(10) 0.21924(8) 0.28213(8) 0.0313(3) Uani 1 1 d . .
Si1 Si 0.33443(11) 0.27462(8) 0.63540(9) 0.0281(3) Uani 1 1 d . .
Si2 Si 0.00317(12) 0.31004(8) 0.19229(9) 0.0303(3) Uani 1 1 d . .
O1 O 0.3030(3) 0.2053(2) 0.7039(2) 0.0314(7) Uani 1 1 d . .
O2 O 0.4198(3) 0.2265(2) 0.5923(2) 0.0344(8) Uani 1 1 d . .
O3 O 0.4034(3) 0.3582(2) 0.7030(2) 0.0330(7) Uani 1 1 d . .
O4 O 0.0938(3) 0.39323(19) 0.2432(2) 0.0306(7) Uani 1 1 d . .
O5 O -0.1207(3) 0.3500(2) 0.1230(2) 0.0423(9) Uani 1 1 d . .
O6 O 0.0682(3) 0.2589(2) 0.1318(2) 0.0391(8) Uani 1 1 d . .
N1 N 0.1636(3) 0.0881(2) 0.4397(3) 0.0313(9) Uani 1 1 d . .
N2 N 0.1489(3) -0.0223(2) 0.5258(3) 0.0302(9) Uani 1 1 d . .
N3 N 0.3031(3) 0.2264(3) 0.3555(3) 0.0321(9) Uani 1 1 d . .
N4 N 0.4501(3) 0.1940(3) 0.3079(3) 0.0325(9) Uani 1 1 d . .
C1 C 0.2657(5) 0.2172(3) 0.7821(3) 0.0364(11) Uani 1 1 d . .
C2 C 0.3795(6) 0.2345(6) 0.8687(4) 0.075(2) Uani 1 1 d . .
H2A H 0.43 0.1861 0.8772 0.112 Uiso 1 1 calc R U
H2B H 0.3583 0.2418 0.9226 0.112 Uiso 1 1 calc R U
H2C H 0.4223 0.2866 0.8613 0.112 Uiso 1 1 calc R U
C3 C 0.1844(7) 0.2933(4) 0.7685(5) 0.0644(19) Uani 1 1 d . .
H3A H 0.1593 0.2982 0.8208 0.097 Uiso 1 1 calc R U
H3B H 0.1145 0.2834 0.7116 0.097 Uiso 1 1 calc R U
H3C H 0.2281 0.3462 0.7646 0.097 Uiso 1 1 calc R U
C4 C 0.1978(8) 0.1343(4) 0.7881(6) 0.075(2) Uani 1 1 d . .
H4A H 0.1261 0.1256 0.7324 0.113 Uiso 1 1 calc R U
H4B H 0.1757 0.138 0.842 0.113 Uiso 1 1 calc R U
H4C H 0.2482 0.0861 0.7939 0.113 Uiso 1 1 calc R U
C5 C 0.5324(4) 0.1826(3) 0.6327(4) 0.0396(12) Uani 1 1 d . .
C6 C 0.5973(7) 0.2083(7) 0.7355(5) 0.097(3) Uani 1 1 d . .
H6A H 0.6073 0.2707 0.7428 0.146 Uiso 1 1 calc R U
H6B H 0.6752 0.184 0.7586 0.146 Uiso 1 1 calc R U
H6C H 0.5505 0.1865 0.7703 0.146 Uiso 1 1 calc R U
C7 C 0.6089(6) 0.2125(6) 0.5804(6) 0.081(2) Uani 1 1 d . .
H7A H 0.5648 0.2022 0.5143 0.122 Uiso 1 1 calc R U
H7B H 0.6811 0.1808 0.5999 0.122 Uiso 1 1 calc R U
H7C H 0.6302 0.2737 0.5933 0.122 Uiso 1 1 calc R U
C8 C 0.4997(7) 0.0885(4) 0.6169(9) 0.119(4) Uani 1 1 d . .
H8A H 0.4556 0.0705 0.6551 0.179 Uiso 1 1 calc R U
H8B H 0.5718 0.057 0.6333 0.179 Uiso 1 1 calc R U
H8C H 0.4502 0.0767 0.5519 0.179 Uiso 1 1 calc R U
C9 C 0.4303(4) 0.4473(3) 0.6851(3) 0.0338(11) Uani 1 1 d . .
C10 C 0.5356(5) 0.4808(4) 0.7720(4) 0.0481(14) Uani 1 1 d . .
H10A H 0.5137 0.476 0.8258 0.072 Uiso 1 1 calc R U
H10B H 0.5558 0.5409 0.7649 0.072 Uiso 1 1 calc R U
H10C H 0.6041 0.447 0.7804 0.072 Uiso 1 1 calc R U
C11 C 0.4643(5) 0.4513(3) 0.5993(4) 0.0386(12) Uani 1 1 d . .
H11A H 0.5327 0.4169 0.6088 0.058 Uiso 1 1 calc R U
H11B H 0.4847 0.5107 0.5899 0.058 Uiso 1 1 calc R U
H11C H 0.3972 0.4288 0.545 0.058 Uiso 1 1 calc R U
C12 C 0.3195(5) 0.4985(3) 0.6713(4) 0.0468(13) Uani 1 1 d . .
H12A H 0.2528 0.4749 0.6174 0.07 Uiso 1 1 calc R U
H12B H 0.3366 0.5586 0.6618 0.07 Uiso 1 1 calc R U
H12C H 0.2992 0.4944 0.7259 0.07 Uiso 1 1 calc R U
C13 C 0.0753(4) 0.4766(3) 0.2797(3) 0.0323(11) Uani 1 1 d . .
C14 C -0.0131(4) 0.4653(3) 0.3283(4) 0.0392(12) Uani 1 1 d . .
H14A H -0.09 0.4428 0.2839 0.059 Uiso 1 1 calc R U
H14B H -0.0223 0.5206 0.3539 0.059 Uiso 1 1 calc R U
H14C H 0.0169 0.4252 0.3781 0.059 Uiso 1 1 calc R U
C15 C 0.1982(5) 0.5101(3) 0.3488(4) 0.0445(13) Uani 1 1 d . .
H15A H 0.2229 0.4738 0.4023 0.067 Uiso 1 1 calc R U
H15B H 0.1936 0.5689 0.3688 0.067 Uiso 1 1 calc R U
H15C H 0.256 0.5089 0.3192 0.067 Uiso 1 1 calc R U
C16 C 0.0289(6) 0.5374(4) 0.1985(4) 0.0522(15) Uani 1 1 d . .
H16A H 0.0848 0.5417 0.1671 0.078 Uiso 1 1 calc R U
H16B H 0.0212 0.5942 0.222 0.078 Uiso 1 1 calc R U
H16C H -0.0486 0.5149 0.1551 0.078 Uiso 1 1 calc R U
C17 C -0.2447(5) 0.3179(4) 0.0758(4) 0.0461(13) Uani 1 1 d . .
C18 C -0.2521(6) 0.2238(4) 0.0423(5) 0.0611(17) Uani 1 1 d . .
H18A H -0.2077 0.2189 0.0019 0.092 Uiso 1 1 calc R U
H18B H -0.3352 0.2048 0.0083 0.092 Uiso 1 1 calc R U
H18C H -0.2181 0.1879 0.0954 0.092 Uiso 1 1 calc R U
C19 C -0.3098(6) 0.3245(5) 0.1423(5) 0.0675(19) Uani 1 1 d . .
H19A H -0.2688 0.2927 0.1974 0.101 Uiso 1 1 calc R U
H19B H -0.3913 0.3004 0.1122 0.101 Uiso 1 1 calc R U
H19C H -0.3108 0.3846 0.1598 0.101 Uiso 1 1 calc R U
C20 C -0.2964(7) 0.3761(6) -0.0072(6) 0.097(3) Uani 1 1 d . .
H20A H -0.2931 0.4352 0.0152 0.146 Uiso 1 1 calc R U
H20B H -0.379 0.357 -0.043 0.146 Uiso 1 1 calc R U
H20C H -0.25 0.3729 -0.0462 0.146 Uiso 1 1 calc R U
C21 C 0.1112(5) 0.2865(4) 0.0595(4) 0.0423(12) Uani 1 1 d . .
C22 C 0.0339(9) 0.2381(7) -0.0283(5) 0.111(4) Uani 1 1 d . .
H22A H 0.0383 0.1765 -0.0186 0.166 Uiso 1 1 calc R U
H22B H 0.0616 0.2527 -0.0776 0.166 Uiso 1 1 calc R U
H22C H -0.0483 0.2537 -0.0454 0.166 Uiso 1 1 calc R U
C23 C 0.2380(7) 0.2600(8) 0.0878(7) 0.133(5) Uani 1 1 d . .
H23A H 0.2872 0.2889 0.1464 0.199 Uiso 1 1 calc R U
H23B H 0.2688 0.2759 0.0405 0.199 Uiso 1 1 calc R U
H23C H 0.2396 0.198 0.0947 0.199 Uiso 1 1 calc R U
C24 C 0.1079(10) 0.3823(5) 0.0444(6) 0.099(3) Uani 1 1 d . .
H24A H 0.1486 0.4135 0.1034 0.148 Uiso 1 1 calc R U
H24B H 0.0253 0.3981 0.018 0.148 Uiso 1 1 calc R U
H24C H 0.1475 0.3971 0.0022 0.148 Uiso 1 1 calc R U
C25 C 0.1464(4) 0.0116(3) 0.3878(4) 0.0351(11) Uani 1 1 d . .
H25 H 0.1418 0.0075 0.3261 0.042 Uiso 1 1 calc R U
C26 C 0.1371(4) -0.0572(3) 0.4398(3) 0.0337(11) Uani 1 1 d . .
H26 H 0.1252 -0.1159 0.421 0.04 Uiso 1 1 calc R U
C27 C 0.1640(4) 0.0648(3) 0.5229(3) 0.0292(10) Uani 1 1 d . .
H27 H 0.1735 0.1036 0.5725 0.035 Uiso 1 1 calc R U
C28 C 0.1438(4) -0.0701(3) 0.6063(3) 0.0347(11) Uani 1 1 d . .
H28A H 0.1052 -0.1276 0.585 0.042 Uiso 1 1 calc R U
H28B H 0.0953 -0.0396 0.6339 0.042 Uiso 1 1 calc R U
C29 C 0.2703(4) -0.0790(3) 0.6807(3) 0.0345(11) Uani 1 1 d . .
H29A H 0.3084 -0.0212 0.7014 0.041 Uiso 1 1 calc R U
H29B H 0.2627 -0.107 0.7346 0.041 Uiso 1 1 calc R U
C30 C 0.4636(5) 0.2827(3) 0.3310(5) 0.0473(14) Uani 1 1 d . .
H30 H 0.5235 0.3221 0.328 0.057 Uiso 1 1 calc R U
C31 C 0.3723(5) 0.3000(3) 0.3586(4) 0.0434(13) Uani 1 1 d . .
H31 H 0.3586 0.355 0.3773 0.052 Uiso 1 1 calc R U
C32 C 0.3529(4) 0.1637(3) 0.3247(3) 0.0314(10) Uani 1 1 d . .
H32 H 0.324 0.1056 0.3157 0.038 Uiso 1 1 calc R U
C33 C 0.5283(4) 0.1441(4) 0.2760(4) 0.0379(12) Uani 1 1 d . .
H33A H 0.5419 0.1742 0.2254 0.046 Uiso 1 1 calc R U
H33B H 0.4882 0.0876 0.2511 0.046 Uiso 1 1 calc R U
C34 C 0.6488(4) 0.1309(3) 0.3534(3) 0.0331(11) Uani 1 1 d . .
H34A H 0.6354 0.1007 0.4038 0.04 Uiso 1 1 calc R U
H34B H 0.689 0.1874 0.3783 0.04 Uiso 1 1 calc R U
O8 O 0.1000(5) 0.0774(3) 0.1575(4) 0.0808(11) Uani 1 1 d . .
H8 H 0.091 0.1294 0.1638 0.121 Uiso 1 1 calc R U
C36 C -0.0134(8) 0.0316(6) 0.1234(7) 0.104(2) Uani 1 1 d . .
H36A H -0.059 0.049 0.0609 0.156 Uiso 1 1 calc R U
H36B H -0.0563 0.0443 0.1634 0.156 Uiso 1 1 calc R U
H36C H -0.0025 -0.0299 0.1225 0.156 Uiso 1 1 calc R U
O9 O 0.3011(5) 0.0067(3) 0.1584(4) 0.0808(11) Uani 1 1 d . .
H9 H 0.2502 0.0426 0.1515 0.121 Uiso 1 1 calc R U
C37 C 0.3248(8) -0.0006(7) 0.0780(7) 0.104(2) Uani 1 1 d . .
H37A H 0.2708 -0.045 0.0367 0.156 Uiso 1 1 calc R U
H37B H 0.4068 -0.016 0.0937 0.156 Uiso 1 1 calc R U
H37C H 0.3133 0.0541 0.0474 0.156 Uiso 1 1 calc R U
O7 O -0.0786(4) 0.2654(3) 0.5365(3) 0.0548(11) Uani 1 1 d . .
H7 H -0.007(8) 0.268(6) 0.543(6) 0.10(3) Uiso 1 1 d . .
C35 C -0.1459(5) 0.3287(4) 0.4764(4) 0.0458(13) Uani 1 1 d . .
H35A H -0.1543 0.3148 0.4131 0.069 Uiso 1 1 calc R U
H35B H -0.1047 0.385 0.4956 0.069 Uiso 1 1 calc R U
H35C H -0.2246 0.3292 0.4797 0.069 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 16 -18 0.087
1 -19 22 0.08
11 -12 10 0.109
17 11 -19 0.089
1 -20 -15 0.07
23 -15 -22 0.136
15 21 8 0.061
-4 -11 -6 0.09
-13 15 17 0.133
-9 14 -13 0.086
-19 -11 19 0.084
2 -10 11 0.088
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
N3 Co1 N1 105.10(16) . .
N3 Co1 S1 113.23(14) . .
N1 Co1 S1 110.22(14) . .
N3 Co1 S2 114.70(14) . .
N1 Co1 S2 102.79(14) . .
S1 Co1 S2 110.10(9) . .
Si1 S1 Co1 106.67(10) . .
Si2 S2 Co1 103.57(10) . .
O2 Si1 O3 112.54(19) . .
O2 Si1 O1 106.54(18) . .
O3 Si1 O1 105.29(19) . .
O2 Si1 S1 106.61(15) . .
O3 Si1 S1 112.50(15) . .
O1 Si1 S1 113.33(15) . .
O4 Si2 O5 105.80(19) . .
O4 Si2 O6 105.8(2) . .
O5 Si2 O6 110.5(2) . .
O4 Si2 S2 115.31(15) . .
O5 Si2 S2 113.28(17) . .
O6 Si2 S2 105.84(15) . .
C1 O1 Si1 132.0(3) . .
C5 O2 Si1 134.3(3) . .
C9 O3 Si1 133.3(3) . .
C13 O4 Si2 132.8(3) . .
C17 O5 Si2 135.9(3) . .
C21 O6 Si2 132.6(3) . .
C27 N1 C25 105.4(4) . .
C27 N1 Co1 124.4(3) . .
C25 N1 Co1 129.6(3) . .
C27 N2 C26 107.5(4) . .
C27 N2 C28 125.6(4) . .
C26 N2 C28 126.9(4) . .
C32 N3 C31 105.0(4) . .
C32 N3 Co1 127.3(3) . .
C31 N3 Co1 127.4(3) . .
C32 N4 C30 106.0(4) . .
C32 N4 C33 127.3(4) . .
C30 N4 C33 126.7(4) . .
O1 C1 C4 106.7(4) . .
O1 C1 C2 107.1(4) . .
C4 C1 C2 111.8(6) . .
O1 C1 C3 111.7(4) . .
C4 C1 C3 109.7(5) . .
C2 C1 C3 109.9(6) . .
O2 C5 C8 106.3(5) . .
O2 C5 C7 106.1(4) . .
C8 C5 C7 111.5(7) . .
O2 C5 C6 111.1(4) . .
C8 C5 C6 112.7(7) . .
C7 C5 C6 108.9(6) . .
O3 C9 C10 105.8(4) . .
O3 C9 C12 108.1(4) . .
C10 C9 C12 110.6(5) . .
O3 C9 C11 110.7(4) . .
C10 C9 C11 110.5(4) . .
C12 C9 C11 111.0(4) . .
O4 C13 C14 110.4(4) . .
O4 C13 C15 105.9(4) . .
C14 C13 C15 110.5(4) . .
O4 C13 C16 108.3(4) . .
C14 C13 C16 110.9(4) . .
C15 C13 C16 110.6(5) . .
O5 C17 C19 109.2(5) . .
O5 C17 C18 111.0(5) . .
C19 C17 C18 109.3(6) . .
O5 C17 C20 105.2(5) . .
C19 C17 C20 111.7(6) . .
C18 C17 C20 110.4(6) . .
O6 C21 C22 106.7(5) . .
O6 C21 C23 107.2(5) . .
C22 C21 C23 109.4(8) . .
O6 C21 C24 113.9(5) . .
C22 C21 C24 109.9(6) . .
C23 C21 C24 109.5(7) . .
C26 C25 N1 110.1(5) . .
C25 C26 N2 105.9(4) . .
N1 C27 N2 111.1(4) . .
N2 C28 C29 111.4(4) . .
C34 C29 C28 113.7(4) 2_656 .
C31 C30 N4 106.0(5) . .
C30 C31 N3 110.9(5) . .
N3 C32 N4 112.0(4) . .
N4 C33 C34 112.5(4) . .
C33 C34 C29 112.1(4) . 2_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N3 2.017(4) .
Co1 N1 2.029(4) .
Co1 S1 2.299(3) .
Co1 S2 2.300(3) .
S1 Si1 2.089(3) .
S2 Si2 2.077(3) .
Si1 O2 1.609(4) .
Si1 O3 1.620(4) .
Si1 O1 1.636(4) .
Si2 O4 1.619(4) .
Si2 O5 1.621(4) .
Si2 O6 1.632(4) .
O1 C1 1.442(6) .
O2 C5 1.457(5) .
O3 C9 1.445(6) .
O4 C13 1.450(6) .
O5 C17 1.442(6) .
O6 C21 1.449(6) .
N1 C27 1.332(6) .
N1 C25 1.372(7) .
N2 C27 1.344(6) .
N2 C26 1.375(7) .
N2 C28 1.467(6) .
N3 C32 1.327(6) .
N3 C31 1.358(6) .
N4 C32 1.343(6) .
N4 C30 1.389(7) .
N4 C33 1.451(6) .
C1 C4 1.500(8) .
C1 C2 1.513(8) .
C1 C3 1.522(7) .
C5 C8 1.471(9) .
C5 C7 1.487(8) .
C5 C6 1.512(9) .
C9 C10 1.513(7) .
C9 C12 1.519(7) .
C9 C11 1.521(7) .
C13 C14 1.511(7) .
C13 C15 1.513(7) .
C13 C16 1.518(7) .
C17 C19 1.504(9) .
C17 C18 1.515(9) .
C17 C20 1.518(8) .
C21 C22 1.482(9) .
C21 C23 1.490(9) .
C21 C24 1.494(9) .
C25 C26 1.359(7) .
C28 C29 1.530(6) .
C29 C34 1.513(6) 2_656
C30 C31 1.346(7) .
C33 C34 1.509(6) .
C34 C29 1.513(6) 2_656
O8 C36 1.403(10) .
O9 C37 1.371(10) .
O7 C35 1.410(6) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O8 H8 O6 0.82 2.06 2.846(6) 159.4
O9 H9 O8 0.82 1.93 2.680(7) 151.4
O7 H7 S1 0.83(8) 2.45(9) 3.245(5) 162(8)
