#------------------------------------------------------------------------------
#$Date: 2020-08-06 15:46:53 +0300 (Thu, 06 Aug 2020) $
#$Revision: 254863 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/66/7126629.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_7126629
loop_
_publ_author_name
'Parvin, Nasrina'
'Mishra, Bijoyananda'
'George, Anjana'
'Neralkar, Mahesh'
'Hossain, Jabed'
'Parameswaran, Pattiyil'
'Hotha, Srinivas'
'Khan, Shabana'
_publ_section_title
;
 N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.
;
_journal_issue                   55
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7625
_journal_page_last               7628
_journal_paper_doi               10.1039/d0cc03156a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C27 H46 Co N3 O Si3'
_chemical_formula_sum            'C27 H46 Co N3 O Si3'
_chemical_formula_weight         571.87
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-03-14 deposited with the CCDC.	2020-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                102.473(13)
_cell_angle_beta                 91.56(2)
_cell_angle_gamma                91.73(2)
_cell_formula_units_Z            4
_cell_length_a                   9.741(9)
_cell_length_b                   17.157(15)
_cell_length_c                   18.969(15)
_cell_measurement_reflns_used    9856
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      2.40
_cell_volume                     3092(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_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  0.1194
_diffrn_reflns_av_unetI/netI     0.0643
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            85325
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.250
_diffrn_reflns_theta_min         2.201
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Sheldrick, G. M. (2012) SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   0.7457
_exptl_transmission_factor_min   0.5633
_refine_diff_density_max         7.657
_refine_diff_density_min         -1.648
_refine_diff_density_rms         0.257
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.696
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         11186
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.696
_refine_ls_R_factor_all          0.1738
_refine_ls_R_factor_gt           0.1474
_refine_ls_shift/su_max          0.042
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3961
_refine_ls_wR_factor_ref         0.4128
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8239
_reflns_number_total             11186
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc03156a2.cif
_cod_data_source_block           Q1_a_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7126624--7126629.cif.'
_cod_database_code               7126629
_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.
;
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
Co2 Co 0.38660(12) 1.05521(7) 0.23174(7) 0.0237(4) Uani 1 1 d . . . . .
Si7 Si 0.6867(2) 0.53111(13) 0.29018(11) 0.0152(5) Uani 1 1 d . . . . .
Si1 Si 0.2068(2) 0.97457(13) 0.21195(12) 0.0162(5) Uani 1 1 d . . . . .
Si5 Si 0.5716(3) 0.69890(14) 0.35865(13) 0.0212(6) Uani 1 1 d . . . . .
Si2 Si 0.0669(3) 0.80712(14) 0.14436(13) 0.0212(6) Uani 1 1 d . . . . .
Si3 Si 0.3168(3) 0.86351(15) 0.07888(13) 0.0244(6) Uani 1 1 d . . . . .
Si6 Si 0.8201(3) 0.63994(14) 0.42317(12) 0.0224(6) Uani 1 1 d . . . . .
N6 N 0.5093(7) 0.4856(4) 0.2847(3) 0.0141(14) Uani 1 1 d . . . . .
N3 N 0.0349(7) 1.0183(4) 0.2158(4) 0.0195(15) Uani 1 1 d . . . . .
N4 N 0.1226(7) 0.9685(4) 0.2993(4) 0.0183(15) Uani 1 1 d . . . . .
O2 O 1.0199(7) 0.5827(4) 0.2466(4) 0.0368(17) Uani 1 1 d . . . . .
O1 O 0.5412(7) 0.9226(4) 0.2540(4) 0.0378(17) Uani 1 1 d . . . . .
N7 N 0.5968(7) 0.5399(4) 0.2023(3) 0.0161(15) Uani 1 1 d . . . . .
N8 N 0.6902(7) 0.6223(4) 0.3535(3) 0.0183(15) Uani 1 1 d . . . . .
N5 N 0.1955(7) 0.8827(4) 0.1482(3) 0.0171(15) Uani 1 1 d . . . . .
C00H C 0.0216(9) 1.0137(5) 0.2840(5) 0.0202(18) Uani 1 1 d . . . . .
C00I C 0.3783(9) 0.4567(5) 0.1653(4) 0.0221(19) Uani 1 1 d . . . . .
C00J C 0.4917(9) 0.4951(5) 0.2179(4) 0.0181(18) Uani 1 1 d . . . . .
C00K C 0.4139(9) 0.4530(5) 0.3332(4) 0.0217(19) Uani 1 1 d . . . . .
C00L C -0.0851(9) 1.0524(5) 0.3347(4) 0.022(2) Uani 1 1 d . . . . .
C00M C -0.0587(9) 1.0533(5) 0.1677(4) 0.0215(19) Uani 1 1 d . . . . .
C00N C 0.3905(10) 0.3771(6) 0.1255(5) 0.031(2) Uani 1 1 d . . . . .
H00N H 0.467008 0.348155 0.132542 0.037 Uiso 1 1 calc R U . . .
C00O C 0.0046(10) 1.0366(6) 0.0938(4) 0.028(2) Uani 1 1 d . . . . .
H00A H 0.090800 1.065930 0.096523 0.042 Uiso 1 1 calc R U . . .
H00B H -0.056476 1.052926 0.059579 0.042 Uiso 1 1 calc R U . . .
H00C H 0.019394 0.980511 0.078733 0.042 Uiso 1 1 calc R U . . .
Co3 Co 0.85630(12) 0.44978(7) 0.26998(6) 0.0214(4) Uani 1 1 d . . . . .
C00Q C -0.2029(9) 1.0121(6) 0.3452(5) 0.029(2) Uani 1 1 d . . . . .
H00Q H -0.216853 0.959226 0.320558 0.034 Uiso 1 1 calc R U . . .
C00R C 0.8707(11) 0.5478(6) 0.4536(5) 0.035(2) Uani 1 1 d . . . . .
H00D H 0.789583 0.518394 0.462069 0.053 Uiso 1 1 calc R U . . .
H00E H 0.925733 0.562620 0.497532 0.053 Uiso 1 1 calc R U . . .
H00F H 0.922593 0.515162 0.416971 0.053 Uiso 1 1 calc R U . . .
C00S C 0.5225(9) 0.5736(5) 0.0863(4) 0.025(2) Uani 1 1 d . . . . .
H00G H 0.461116 0.527691 0.072399 0.038 Uiso 1 1 calc R U . . .
H00H H 0.556649 0.588374 0.043786 0.038 Uiso 1 1 calc R U . . .
H00I H 0.474278 0.617239 0.113949 0.038 Uiso 1 1 calc R U . . .
C00T C 0.4898(10) 0.4653(6) 0.4063(4) 0.030(2) Uani 1 1 d . . . . .
H00J H 0.574630 0.437978 0.400743 0.045 Uiso 1 1 calc R U . . .
H00K H 0.433802 0.444453 0.439298 0.045 Uiso 1 1 calc R U . . .
H00L H 0.508693 0.521372 0.424864 0.045 Uiso 1 1 calc R U . . .
C00U C 0.2619(9) 0.4977(5) 0.1563(4) 0.025(2) Uani 1 1 d . . . . .
H00U H 0.253651 0.549690 0.182443 0.030 Uiso 1 1 calc R U . . .
C00V C 0.6421(9) 0.5539(5) 0.1317(5) 0.0234(19) Uani 1 1 d . . . . .
C00W C 0.3844(11) 0.3644(5) 0.3051(5) 0.030(2) Uani 1 1 d . . . . .
H00M H 0.342137 0.355406 0.257621 0.045 Uiso 1 1 calc R U . . .
H00O H 0.323511 0.344865 0.336903 0.045 Uiso 1 1 calc R U . . .
H00P H 0.468867 0.336697 0.303119 0.045 Uiso 1 1 calc R U . . .
C00X C -0.1993(10) 1.0133(7) 0.1618(5) 0.038(3) Uani 1 1 d . . . . .
H00R H -0.190994 0.956355 0.149286 0.057 Uiso 1 1 calc R U . . .
H00S H -0.253542 1.029984 0.125154 0.057 Uiso 1 1 calc R U . . .
H00T H -0.242966 1.027857 0.207326 0.057 Uiso 1 1 calc R U . . .
C00Y C 0.0512(10) 0.9314(6) 0.4146(5) 0.030(2) Uani 1 1 d . . . . .
H00V H -0.007807 0.975712 0.427556 0.045 Uiso 1 1 calc R U . . .
H00W H 0.086812 0.917205 0.457644 0.045 Uiso 1 1 calc R U . . .
H37 H -0.000183 0.886638 0.385683 0.045 Uiso 1 1 calc R U . . .
C00Z C 0.2811(9) 0.4978(6) 0.3410(5) 0.028(2) Uani 1 1 d . . . . .
H36 H 0.301926 0.554072 0.356699 0.042 Uiso 1 1 calc R U . . .
H00: H 0.225717 0.479984 0.375916 0.042 Uiso 1 1 calc R U . . .
H00 H 0.231763 0.487786 0.295215 0.042 Uiso 1 1 calc R U . . .
C010 C 0.3336(12) 1.1537(6) 0.1887(6) 0.040(3) Uani 1 1 d . . . . .
H010 H 0.274081 1.149021 0.148742 0.048 Uiso 1 1 calc R U . . .
C011 C 0.1702(9) 0.9548(5) 0.3716(4) 0.024(2) Uani 1 1 d . . . . .
C012 C -0.0653(11) 1.1324(6) 0.3719(5) 0.034(2) Uani 1 1 d . . . . .
H012 H 0.014680 1.160777 0.365510 0.040 Uiso 1 1 calc R U . . .
C013 C 0.1489(10) 0.7075(5) 0.1369(5) 0.030(2) Uani 1 1 d . . . . .
H01A H 0.191467 0.692776 0.091126 0.045 Uiso 1 1 calc R U . . .
H01B H 0.079859 0.667648 0.140778 0.045 Uiso 1 1 calc R U . . .
H01C H 0.217179 0.711368 0.175131 0.045 Uiso 1 1 calc R U . . .
C014 C 0.6661(11) 0.7977(5) 0.3642(5) 0.032(2) Uani 1 1 d . . . . .
H01D H 0.727326 0.808799 0.405934 0.049 Uiso 1 1 calc R U . . .
H01E H 0.601083 0.839254 0.367954 0.049 Uiso 1 1 calc R U . . .
H01F H 0.717917 0.795384 0.321507 0.049 Uiso 1 1 calc R U . . .
C015 C -0.0601(10) 0.8020(5) 0.0670(5) 0.033(2) Uani 1 1 d . . . . .
H01G H -0.089138 0.854761 0.066202 0.049 Uiso 1 1 calc R U . . .
H01H H -0.138366 0.768921 0.072960 0.049 Uiso 1 1 calc R U . . .
H01I H -0.017719 0.779638 0.022437 0.049 Uiso 1 1 calc R U . . .
C016 C 0.2866(11) 0.3432(6) 0.0761(5) 0.036(2) Uani 1 1 d . . . . .
H016 H 0.295742 0.292011 0.048314 0.043 Uiso 1 1 calc R U . . .
C017 C 0.4505(10) 0.6893(6) 0.2794(5) 0.035(2) Uani 1 1 d . . . . .
H01J H 0.500728 0.695387 0.237905 0.052 Uiso 1 1 calc R U . . .
H01K H 0.383800 0.729899 0.289530 0.052 Uiso 1 1 calc R U . . .
H01L H 0.404639 0.637579 0.269733 0.052 Uiso 1 1 calc R U . . .
C018 C 0.8666(11) 0.3402(5) 0.1960(6) 0.037(3) Uani 1 1 d . . . . .
H018 H 0.865456 0.333910 0.146055 0.044 Uiso 1 1 calc R U . . .
C019 C 0.9439(11) 0.3574(5) 0.3140(6) 0.037(3) Uani 1 1 d . . . . .
H019 H 1.001183 0.364002 0.355060 0.045 Uiso 1 1 calc R U . . .
C01A C 0.7605(11) 0.7061(5) 0.5097(4) 0.032(2) Uani 1 1 d . . . . .
H01M H 0.745229 0.758612 0.501889 0.047 Uiso 1 1 calc R U . . .
H01N H 0.829661 0.709214 0.547351 0.047 Uiso 1 1 calc R U . . .
H01O H 0.676518 0.683796 0.523633 0.047 Uiso 1 1 calc R U . . .
C01B C 0.1713(11) 0.3837(7) 0.0676(5) 0.038(3) Uani 1 1 d . . . . .
H01P H 0.101878 0.359710 0.034678 0.045 Uiso 1 1 calc R U . . .
C01C C -0.0434(11) 0.8161(6) 0.2236(5) 0.037(2) Uani 1 1 d . . . . .
H01Q H 0.012315 0.813989 0.265645 0.056 Uiso 1 1 calc R U . . .
H01R H -0.110999 0.772959 0.214932 0.056 Uiso 1 1 calc R U . . .
H01S H -0.088521 0.866076 0.231299 0.056 Uiso 1 1 calc R U . . .
C01D C 0.4770(9) 0.9764(5) 0.2434(4) 0.024(2) Uani 1 1 d . . . . .
C01E C 0.8003(12) 0.3492(6) 0.3120(6) 0.040(3) Uani 1 1 d . . . . .
H01T H 0.745685 0.350881 0.351687 0.048 Uiso 1 1 calc R U . . .
C01F C 0.2667(10) 0.8859(6) 0.3554(5) 0.036(2) Uani 1 1 d . . . . .
H01U H 0.218619 0.839826 0.326459 0.054 Uiso 1 1 calc R U . . .
H01V H 0.299078 0.873669 0.399935 0.054 Uiso 1 1 calc R U . . .
H01W H 0.343461 0.900480 0.329697 0.054 Uiso 1 1 calc R U . . .
C01G C 0.7518(11) 0.3379(6) 0.2383(6) 0.038(3) Uani 1 1 d . . . . .
H35 H 0.660610 0.330443 0.221613 0.046 Uiso 1 1 calc R U . . .
C01H C 0.5261(10) 1.1536(6) 0.2592(6) 0.035(2) Uani 1 1 d . . . . .
H34 H 0.617086 1.148774 0.273227 0.042 Uiso 1 1 calc R U . . .
C01I C 0.4141(11) 1.1663(6) 0.3052(6) 0.038(2) Uani 1 1 d . . . . .
H33 H 0.419117 1.173325 0.355197 0.045 Uiso 1 1 calc R U . . .
C01J C 0.9864(10) 0.3538(6) 0.2431(6) 0.035(2) Uani 1 1 d . . . . .
H32 H 1.076472 0.359230 0.229280 0.042 Uiso 1 1 calc R U . . .
C01K C 0.2954(10) 1.1666(5) 0.2636(6) 0.034(2) Uani 1 1 d . . . . .
H31 H 0.206973 1.173846 0.280527 0.041 Uiso 1 1 calc R U . . .
C01L C 0.7132(10) 0.4803(6) 0.0889(5) 0.028(2) Uani 1 1 d . . . . .
H30 H 0.794923 0.471334 0.114996 0.042 Uiso 1 1 calc R U . . .
H18 H 0.737200 0.489407 0.042472 0.042 Uiso 1 1 calc R U . . .
H9 H 0.651865 0.434274 0.082454 0.042 Uiso 1 1 calc R U . . .
C01M C 0.2420(11) 0.7979(6) -0.0057(5) 0.038(2) Uani 1 1 d . . . . .
H29 H 0.202787 0.750018 0.005008 0.057 Uiso 1 1 calc R U . . .
H17 H 0.312991 0.784430 -0.039960 0.057 Uiso 1 1 calc R U . . .
H8 H 0.171887 0.825633 -0.025830 0.057 Uiso 1 1 calc R U . . .
C01N C 0.4539(10) 0.7052(6) 0.4384(5) 0.034(2) Uani 1 1 d . . . . .
H28 H 0.427506 0.652262 0.443170 0.051 Uiso 1 1 calc R U . . .
H16 H 0.373316 0.733332 0.430262 0.051 Uiso 1 1 calc R U . . .
H7 H 0.501704 0.733144 0.481870 0.051 Uiso 1 1 calc R U . . .
C01O C 0.2450(11) 1.0290(6) 0.4150(5) 0.039(3) Uani 1 1 d . . . . .
H27 H 0.320807 1.043064 0.388261 0.059 Uiso 1 1 calc R U . . .
H15 H 0.278718 1.018890 0.460034 0.059 Uiso 1 1 calc R U . . .
H6 H 0.183002 1.072224 0.424102 0.059 Uiso 1 1 calc R U . . .
C01P C 0.4702(10) 0.8101(6) 0.1039(5) 0.037(2) Uani 1 1 d . . . . .
H26 H 0.496023 0.830773 0.153833 0.055 Uiso 1 1 calc R U . . .
H14 H 0.545408 0.818290 0.074331 0.055 Uiso 1 1 calc R U . . .
H5 H 0.447580 0.754021 0.096429 0.055 Uiso 1 1 calc R U . . .
C01Q C -0.0702(11) 1.1455(6) 0.1943(5) 0.036(2) Uani 1 1 d . . . . .
H25 H -0.116445 1.156475 0.239268 0.055 Uiso 1 1 calc R U . . .
H13 H -0.121408 1.166186 0.158946 0.055 Uiso 1 1 calc R U . . .
H4 H 0.020165 1.170377 0.201166 0.055 Uiso 1 1 calc R U . . .
C01R C 0.9757(11) 0.6940(6) 0.3985(5) 0.041(3) Uani 1 1 d . . . . .
H24 H 1.037970 0.655923 0.373806 0.061 Uiso 1 1 calc R U . . .
H12 H 1.020528 0.725116 0.441630 0.061 Uiso 1 1 calc R U . . .
H3 H 0.948340 0.728662 0.367570 0.061 Uiso 1 1 calc R U . . .
C01S C 0.7410(10) 0.6254(6) 0.1484(5) 0.032(2) Uani 1 1 d . . . . .
H23 H 0.692620 0.672099 0.169791 0.048 Uiso 1 1 calc R U . . .
H11 H 0.781036 0.632968 0.104556 0.048 Uiso 1 1 calc R U . . .
H2 H 0.812219 0.616580 0.181460 0.048 Uiso 1 1 calc R U . . .
C01T C 0.3735(12) 0.9549(6) 0.0486(5) 0.044(3) Uani 1 1 d . . . . .
H22 H 0.294639 0.984275 0.040071 0.066 Uiso 1 1 calc R U . . .
H10 H 0.422417 0.940054 0.004692 0.066 Uiso 1 1 calc R U . . .
H1 H 0.432711 0.987602 0.085226 0.066 Uiso 1 1 calc R U . . .
C01U C 0.1570(9) 0.4615(6) 0.1083(5) 0.029(2) Uani 1 1 d . . . . .
H21 H 0.077528 0.488719 0.103174 0.035 Uiso 1 1 calc R U . . .
C01V C 0.4759(12) 1.1496(6) 0.1879(6) 0.039(3) Uani 1 1 d . . . . .
H20 H 0.529008 1.145040 0.147344 0.047 Uiso 1 1 calc R U . . .
C01W C -0.1624(14) 1.1693(6) 0.4175(5) 0.048(3) Uani 1 1 d . . . . .
H19 H -0.148770 1.222361 0.441678 0.057 Uiso 1 1 calc R U . . .
C01X C -0.3029(11) 1.0470(7) 0.3913(5) 0.041(3) Uani 1 1 d . . . . .
H01X H -0.382060 1.018264 0.398206 0.049 Uiso 1 1 calc R U . . .
C01Y C -0.2806(13) 1.1266(8) 0.4270(5) 0.052(4) Uani 1 1 d . . . . .
H01Y H -0.346523 1.151431 0.457822 0.062 Uiso 1 1 calc R U . . .
C1 C 0.9526(9) 0.5295(6) 0.2577(5) 0.026(2) Uani 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'
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'
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
C01D Co2 C010 157.9(5) . . ?
C01D Co2 C01H 104.9(4) . . ?
C010 Co2 C01H 65.5(4) . . ?
C01D Co2 C01I 120.3(4) . . ?
C010 Co2 C01I 65.8(4) . . ?
C01H Co2 C01I 39.1(4) . . ?
C01D Co2 C01K 155.9(4) . . ?
C010 Co2 C01K 40.3(4) . . ?
C01H Co2 C01K 65.2(4) . . ?
C01I Co2 C01K 38.3(4) . . ?
C01D Co2 C01V 122.1(4) . . ?
C010 Co2 C01V 38.2(4) . . ?
C01H Co2 C01V 38.8(4) . . ?
C01I Co2 C01V 64.8(4) . . ?
C01K Co2 C01V 65.0(4) . . ?
C01D Co2 Si1 87.1(3) . . ?
C010 Co2 Si1 105.4(3) . . ?
C01H Co2 Si1 166.4(3) . . ?
C01I Co2 Si1 128.9(3) . . ?
C01K Co2 Si1 101.3(3) . . ?
C01V Co2 Si1 138.3(3) . . ?
N8 Si7 N6 108.3(3) . . ?
N8 Si7 N7 111.1(3) . . ?
N6 Si7 N7 70.3(3) . . ?
N8 Si7 Co3 125.5(2) . . ?
N6 Si7 Co3 117.3(2) . . ?
N7 Si7 Co3 111.0(2) . . ?
N8 Si7 C00J 118.1(3) . . ?
N6 Si7 C00J 35.0(3) . . ?
N7 Si7 C00J 35.6(3) . . ?
Co3 Si7 C00J 116.3(2) . . ?
N5 Si1 N3 107.8(3) . . ?
N5 Si1 N4 112.5(3) . . ?
N3 Si1 N4 69.2(3) . . ?
N5 Si1 Co2 124.9(3) . . ?
N3 Si1 Co2 118.3(3) . . ?
N4 Si1 Co2 111.1(2) . . ?
N5 Si1 C00H 119.4(3) . . ?
N3 Si1 C00H 34.7(3) . . ?
N4 Si1 C00H 35.1(3) . . ?
Co2 Si1 C00H 115.7(2) . . ?
N8 Si5 C017 115.7(4) . . ?
N8 Si5 C014 109.9(4) . . ?
C017 Si5 C014 104.2(5) . . ?
N8 Si5 C01N 112.4(4) . . ?
C017 Si5 C01N 103.9(5) . . ?
C014 Si5 C01N 110.3(4) . . ?
N5 Si2 C01C 116.8(4) . . ?
N5 Si2 C015 112.2(4) . . ?
C01C Si2 C015 103.3(5) . . ?
N5 Si2 C013 109.7(4) . . ?
C01C Si2 C013 104.4(5) . . ?
C015 Si2 C013 109.9(4) . . ?
N5 Si3 C01T 112.9(4) . . ?
N5 Si3 C01M 112.1(4) . . ?
C01T Si3 C01M 102.9(5) . . ?
N5 Si3 C01P 113.0(4) . . ?
C01T Si3 C01P 110.1(5) . . ?
C01M Si3 C01P 105.2(5) . . ?
N8 Si6 C01R 112.2(4) . . ?
N8 Si6 C00R 113.8(4) . . ?
C01R Si6 C00R 110.4(5) . . ?
N8 Si6 C01A 112.2(4) . . ?
C01R Si6 C01A 105.0(5) . . ?
C00R Si6 C01A 102.5(4) . . ?
C00J N6 C00K 131.3(7) . . ?
C00J N6 Si7 90.8(5) . . ?
C00K N6 Si7 137.9(5) . . ?
C00H N3 C00M 129.6(7) . . ?
C00H N3 Si1 92.4(5) . . ?
C00M N3 Si1 137.9(6) . . ?
C00H N4 C011 128.8(7) . . ?
C00H N4 Si1 90.4(5) . . ?
C011 N4 Si1 135.8(6) . . ?
C00J N7 C00V 130.6(7) . . ?
C00J N7 Si7 88.7(5) . . ?
C00V N7 Si7 135.3(5) . . ?
Si7 N8 Si5 126.7(4) . . ?
Si7 N8 Si6 118.3(4) . . ?
Si5 N8 Si6 114.9(4) . . ?
Si2 N5 Si1 125.3(4) . . ?
Si2 N5 Si3 115.3(4) . . ?
Si1 N5 Si3 119.3(4) . . ?
N3 C00H N4 106.3(7) . . ?
N3 C00H C00L 126.9(7) . . ?
N4 C00H C00L 126.7(7) . . ?
N3 C00H Si1 52.9(4) . . ?
N4 C00H Si1 54.5(4) . . ?
C00L C00H Si1 170.3(6) . . ?
C00U C00I C00N 119.8(8) . . ?
C00U C00I C00J 120.5(8) . . ?
C00N C00I C00J 119.6(8) . . ?
N6 C00J N7 109.2(7) . . ?
N6 C00J C00I 125.8(7) . . ?
N7 C00J C00I 124.9(7) . . ?
N6 C00J Si7 54.2(4) . . ?
N7 C00J Si7 55.7(4) . . ?
C00I C00J Si7 168.9(6) . . ?
N6 C00K C00Z 110.7(7) . . ?
N6 C00K C00W 110.9(7) . . ?
C00Z C00K C00W 110.6(8) . . ?
N6 C00K C00T 105.9(7) . . ?
C00Z C00K C00T 109.9(7) . . ?
C00W C00K C00T 108.5(7) . . ?
C00Q C00L C012 118.4(8) . . ?
C00Q C00L C00H 121.7(8) . . ?
C012 C00L C00H 120.0(9) . . ?
C00X C00M N3 110.4(7) . . ?
C00X C00M C00O 109.3(7) . . ?
N3 C00M C00O 106.1(7) . . ?
C00X C00M C01Q 109.8(8) . . ?
N3 C00M C01Q 112.4(7) . . ?
C00O C00M C01Q 108.8(7) . . ?
C016 C00N C00I 118.9(9) . . ?
C016 C00N H00N 120.5 . . ?
C00I C00N H00N 120.5 . . ?
C00M C00O H00A 109.5 . . ?
C00M C00O H00B 109.5 . . ?
H00A C00O H00B 109.5 . . ?
C00M C00O H00C 109.5 . . ?
H00A C00O H00C 109.5 . . ?
H00B C00O H00C 109.5 . . ?
C1 Co3 C01J 104.1(4) . . ?
C1 Co3 C01G 155.7(5) . . ?
C01J Co3 C01G 66.1(4) . . ?
C1 Co3 C018 119.4(5) . . ?
C01J Co3 C018 40.0(4) . . ?
C01G Co3 C018 38.9(4) . . ?
C1 Co3 C01E 158.3(4) . . ?
C01J Co3 C01E 65.4(4) . . ?
C01G Co3 C01E 39.8(4) . . ?
C018 Co3 C01E 65.7(4) . . ?
C1 Co3 C019 121.6(4) . . ?
C01J Co3 C019 38.9(4) . . ?
C01G Co3 C019 65.7(4) . . ?
C018 Co3 C019 65.7(4) . . ?
C01E Co3 C019 38.5(4) . . ?
C1 Co3 Si7 86.4(3) . . ?
C01J Co3 Si7 168.1(3) . . ?
C01G Co3 Si7 102.0(3) . . ?
C018 Co3 Si7 129.5(3) . . ?
C01E Co3 Si7 106.6(3) . . ?
C019 Co3 Si7 138.9(3) . . ?
C00L C00Q C01X 122.4(10) . . ?
C00L C00Q H00Q 118.8 . . ?
C01X C00Q H00Q 118.8 . . ?
Si6 C00R H00D 109.5 . . ?
Si6 C00R H00E 109.5 . . ?
H00D C00R H00E 109.5 . . ?
Si6 C00R H00F 109.5 . . ?
H00D C00R H00F 109.5 . . ?
H00E C00R H00F 109.5 . . ?
C00V C00S H00G 109.5 . . ?
C00V C00S H00H 109.5 . . ?
H00G C00S H00H 109.5 . . ?
C00V C00S H00I 109.5 . . ?
H00G C00S H00I 109.5 . . ?
H00H C00S H00I 109.5 . . ?
C00K C00T H00J 109.5 . . ?
C00K C00T H00K 109.5 . . ?
H00J C00T H00K 109.5 . . ?
C00K C00T H00L 109.5 . . ?
H00J C00T H00L 109.5 . . ?
H00K C00T H00L 109.5 . . ?
C00I C00U C01U 120.2(9) . . ?
C00I C00U H00U 119.9 . . ?
C01U C00U H00U 119.9 . . ?
N7 C00V C01S 106.6(7) . . ?
N7 C00V C00S 111.7(7) . . ?
C01S C00V C00S 108.1(7) . . ?
N7 C00V C01L 110.8(7) . . ?
C01S C00V C01L 110.4(8) . . ?
C00S C00V C01L 109.2(7) . . ?
C00K C00W H00M 109.5 . . ?
C00K C00W H00O 109.5 . . ?
H00M C00W H00O 109.5 . . ?
C00K C00W H00P 109.5 . . ?
H00M C00W H00P 109.5 . . ?
H00O C00W H00P 109.5 . . ?
C00M C00X H00R 109.5 . . ?
C00M C00X H00S 109.5 . . ?
H00R C00X H00S 109.5 . . ?
C00M C00X H00T 109.5 . . ?
H00R C00X H00T 109.5 . . ?
H00S C00X H00T 109.5 . . ?
C011 C00Y H00V 109.5 . . ?
C011 C00Y H00W 109.5 . . ?
H00V C00Y H00W 109.5 . . ?
C011 C00Y H37 109.5 . . ?
H00V C00Y H37 109.5 . . ?
H00W C00Y H37 109.5 . . ?
C00K C00Z H36 109.5 . . ?
C00K C00Z H00: 109.5 . . ?
H36 C00Z H00: 109.5 . . ?
C00K C00Z H00 109.5 . . ?
H36 C00Z H00 109.5 . . ?
H00: C00Z H00 109.5 . . ?
C01V C010 C01K 107.2(9) . . ?
C01V C010 Co2 72.7(6) . . ?
C01K C010 Co2 70.1(5) . . ?
C01V C010 H010 126.4 . . ?
C01K C010 H010 126.4 . . ?
Co2 C010 H010 122.5 . . ?
N4 C011 C01O 110.1(7) . . ?
N4 C011 C01F 105.8(7) . . ?
C01O C011 C01F 110.5(8) . . ?
N4 C011 C00Y 112.2(7) . . ?
C01O C011 C00Y 109.5(8) . . ?
C01F C011 C00Y 108.7(8) . . ?
C01W C012 C00L 120.9(10) . . ?
C01W C012 H012 119.5 . . ?
C00L C012 H012 119.5 . . ?
Si2 C013 H01A 109.5 . . ?
Si2 C013 H01B 109.5 . . ?
H01A C013 H01B 109.5 . . ?
Si2 C013 H01C 109.5 . . ?
H01A C013 H01C 109.5 . . ?
H01B C013 H01C 109.5 . . ?
Si5 C014 H01D 109.5 . . ?
Si5 C014 H01E 109.5 . . ?
H01D C014 H01E 109.5 . . ?
Si5 C014 H01F 109.5 . . ?
H01D C014 H01F 109.5 . . ?
H01E C014 H01F 109.5 . . ?
Si2 C015 H01G 109.5 . . ?
Si2 C015 H01H 109.5 . . ?
H01G C015 H01H 109.5 . . ?
Si2 C015 H01I 109.5 . . ?
H01G C015 H01I 109.5 . . ?
H01H C015 H01I 109.5 . . ?
C01B C016 C00N 121.1(9) . . ?
C01B C016 H016 119.5 . . ?
C00N C016 H016 119.5 . . ?
Si5 C017 H01J 109.5 . . ?
Si5 C017 H01K 109.5 . . ?
H01J C017 H01K 109.5 . . ?
Si5 C017 H01L 109.5 . . ?
H01J C017 H01L 109.5 . . ?
H01K C017 H01L 109.5 . . ?
C01G C018 C01J 108.1(10) . . ?
C01G C018 Co3 70.9(6) . . ?
C01J C018 Co3 69.9(5) . . ?
C01G C018 H018 126.0 . . ?
C01J C018 H018 126.0 . . ?
Co3 C018 H018 124.9 . . ?
C01E C019 C01J 108.1(9) . . ?
C01E C019 Co3 70.0(5) . . ?
C01J C019 Co3 69.0(5) . . ?
C01E C019 H019 126.0 . . ?
C01J C019 H019 126.0 . . ?
Co3 C019 H019 126.7 . . ?
Si6 C01A H01M 109.5 . . ?
Si6 C01A H01N 109.5 . . ?
H01M C01A H01N 109.5 . . ?
Si6 C01A H01O 109.5 . . ?
H01M C01A H01O 109.5 . . ?
H01N C01A H01O 109.5 . . ?
C016 C01B C01U 120.1(9) . . ?
C016 C01B H01P 119.9 . . ?
C01U C01B H01P 119.9 . . ?
Si2 C01C H01Q 109.5 . . ?
Si2 C01C H01R 109.5 . . ?
H01Q C01C H01R 109.5 . . ?
Si2 C01C H01S 109.5 . . ?
H01Q C01C H01S 109.5 . . ?
H01R C01C H01S 109.5 . . ?
O1 C01D Co2 177.7(8) . . ?
C019 C01E C01G 108.4(10) . . ?
C019 C01E Co3 71.5(6) . . ?
C01G C01E Co3 69.8(6) . . ?
C019 C01E H01T 125.8 . . ?
C01G C01E H01T 125.8 . . ?
Co3 C01E H01T 124.5 . . ?
C011 C01F H01U 109.5 . . ?
C011 C01F H01V 109.5 . . ?
H01U C01F H01V 109.5 . . ?
C011 C01F H01W 109.5 . . ?
H01U C01F H01W 109.5 . . ?
H01V C01F H01W 109.5 . . ?
C018 C01G C01E 107.4(9) . . ?
C018 C01G Co3 70.2(5) . . ?
C01E C01G Co3 70.4(5) . . ?
C018 C01G H35 126.3 . . ?
C01E C01G H35 126.3 . . ?
Co3 C01G H35 124.7 . . ?
C01I C01H C01V 107.9(9) . . ?
C01I C01H Co2 70.8(5) . . ?
C01V C01H Co2 72.4(6) . . ?
C01I C01H H34 126.0 . . ?
C01V C01H H34 126.0 . . ?
Co2 C01H H34 122.5 . . ?
C01K C01I C01H 108.6(10) . . ?
C01K C01I Co2 70.8(6) . . ?
C01H C01I Co2 70.1(6) . . ?
C01K C01I H33 125.7 . . ?
C01H C01I H33 125.7 . . ?
Co2 C01I H33 125.0 . . ?
C019 C01J C018 107.9(10) . . ?
C019 C01J Co3 72.2(6) . . ?
C018 C01J Co3 70.1(5) . . ?
C019 C01J H32 126.0 . . ?
C018 C01J H32 126.0 . . ?
Co3 C01J H32 123.3 . . ?
C01I C01K C010 107.7(10) . . ?
C01I C01K Co2 70.9(6) . . ?
C010 C01K Co2 69.6(5) . . ?
C01I C01K H31 126.2 . . ?
C010 C01K H31 126.2 . . ?
Co2 C01K H31 124.9 . . ?
C00V C01L H30 109.5 . . ?
C00V C01L H18 109.5 . . ?
H30 C01L H18 109.5 . . ?
C00V C01L H9 109.5 . . ?
H30 C01L H9 109.5 . . ?
H18 C01L H9 109.5 . . ?
Si3 C01M H29 109.5 . . ?
Si3 C01M H17 109.5 . . ?
H29 C01M H17 109.5 . . ?
Si3 C01M H8 109.5 . . ?
H29 C01M H8 109.5 . . ?
H17 C01M H8 109.5 . . ?
Si5 C01N H28 109.5 . . ?
Si5 C01N H16 109.5 . . ?
H28 C01N H16 109.5 . . ?
Si5 C01N H7 109.5 . . ?
H28 C01N H7 109.5 . . ?
H16 C01N H7 109.5 . . ?
C011 C01O H27 109.5 . . ?
C011 C01O H15 109.5 . . ?
H27 C01O H15 109.5 . . ?
C011 C01O H6 109.5 . . ?
H27 C01O H6 109.5 . . ?
H15 C01O H6 109.5 . . ?
Si3 C01P H26 109.5 . . ?
Si3 C01P H14 109.5 . . ?
H26 C01P H14 109.5 . . ?
Si3 C01P H5 109.5 . . ?
H26 C01P H5 109.5 . . ?
H14 C01P H5 109.5 . . ?
C00M C01Q H25 109.5 . . ?
C00M C01Q H13 109.5 . . ?
H25 C01Q H13 109.5 . . ?
C00M C01Q H4 109.5 . . ?
H25 C01Q H4 109.5 . . ?
H13 C01Q H4 109.5 . . ?
Si6 C01R H24 109.5 . . ?
Si6 C01R H12 109.5 . . ?
H24 C01R H12 109.5 . . ?
Si6 C01R H3 109.5 . . ?
H24 C01R H3 109.5 . . ?
H12 C01R H3 109.5 . . ?
C00V C01S H23 109.5 . . ?
C00V C01S H11 109.5 . . ?
H23 C01S H11 109.5 . . ?
C00V C01S H2 109.5 . . ?
H23 C01S H2 109.5 . . ?
H11 C01S H2 109.5 . . ?
Si3 C01T H22 109.5 . . ?
Si3 C01T H10 109.5 . . ?
H22 C01T H10 109.5 . . ?
Si3 C01T H1 109.5 . . ?
H22 C01T H1 109.5 . . ?
H10 C01T H1 109.5 . . ?
C00U C01U C01B 119.8(9) . . ?
C00U C01U H21 120.1 . . ?
C01B C01U H21 120.1 . . ?
C010 C01V C01H 108.5(10) . . ?
C010 C01V Co2 69.1(6) . . ?
C01H C01V Co2 68.9(5) . . ?
C010 C01V H20 125.8 . . ?
C01H C01V H20 125.8 . . ?
Co2 C01V H20 127.8 . . ?
C012 C01W C01Y 119.2(10) . . ?
C012 C01W H19 120.4 . . ?
C01Y C01W H19 120.4 . . ?
C00Q C01X C01Y 117.8(11) . . ?
C00Q C01X H01X 121.1 . . ?
C01Y C01X H01X 121.1 . . ?
C01W C01Y C01X 121.3(10) . . ?
C01W C01Y H01Y 119.3 . . ?
C01X C01Y H01Y 119.3 . . ?
O2 C1 Co3 177.4(9) . . ?
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
Co2 C01D 1.686(10) . ?
Co2 C010 2.101(9) . ?
Co2 C01H 2.101(9) . ?
Co2 C01I 2.109(10) . ?
Co2 C01K 2.107(9) . ?
Co2 C01V 2.146(10) . ?
Co2 Si1 2.171(3) . ?
Si7 N8 1.754(7) . ?
Si7 N6 1.865(7) . ?
Si7 N7 1.899(6) . ?
Si7 Co3 2.183(3) . ?
Si7 C00J 2.299(8) . ?
Si1 N5 1.766(7) . ?
Si1 N3 1.853(7) . ?
Si1 N4 1.889(7) . ?
Si1 C00H 2.321(9) . ?
Si5 N8 1.764(7) . ?
Si5 C017 1.861(9) . ?
Si5 C014 1.886(10) . ?
Si5 C01N 1.909(10) . ?
Si2 N5 1.765(7) . ?
Si2 C01C 1.853(10) . ?
Si2 C015 1.879(9) . ?
Si2 C013 1.888(9) . ?
Si3 N5 1.776(7) . ?
Si3 C01T 1.857(10) . ?
Si3 C01M 1.865(10) . ?
Si3 C01P 1.879(10) . ?
Si6 N8 1.776(7) . ?
Si6 C01R 1.876(11) . ?
Si6 C00R 1.871(10) . ?
Si6 C01A 1.899(9) . ?
N6 C00J 1.319(10) . ?
N6 C00K 1.503(10) . ?
N3 C00H 1.322(11) . ?
N3 C00M 1.499(10) . ?
N4 C00H 1.335(11) . ?
N4 C011 1.504(10) . ?
O2 C1 1.168(11) . ?
O1 C01D 1.180(11) . ?
N7 C00J 1.339(11) . ?
N7 C00V 1.487(10) . ?
C00H C00L 1.505(12) . ?
C00I C00U 1.377(13) . ?
C00I C00N 1.421(13) . ?
C00I C00J 1.505(11) . ?
C00K C00Z 1.519(13) . ?
C00K C00W 1.514(12) . ?
C00K C00T 1.524(11) . ?
C00L C00Q 1.364(14) . ?
C00L C012 1.407(12) . ?
C00M C00X 1.504(14) . ?
C00M C00O 1.520(12) . ?
C00M C01Q 1.560(12) . ?
C00N C016 1.384(13) . ?
C00N H00N 0.9300 . ?
C00O H00A 0.9600 . ?
C00O H00B 0.9600 . ?
C00O H00C 0.9600 . ?
Co3 C1 1.696(10) . ?
Co3 C01J 2.093(9) . ?
Co3 C01G 2.105(9) . ?
Co3 C018 2.097(9) . ?
Co3 C01E 2.114(10) . ?
Co3 C019 2.134(9) . ?
C00Q C01X 1.388(14) . ?
C00Q H00Q 0.9300 . ?
C00R H00D 0.9600 . ?
C00R H00E 0.9600 . ?
C00R H00F 0.9600 . ?
C00S C00V 1.519(12) . ?
C00S H00G 0.9600 . ?
C00S H00H 0.9600 . ?
C00S H00I 0.9600 . ?
C00T H00J 0.9600 . ?
C00T H00K 0.9600 . ?
C00T H00L 0.9600 . ?
C00U C01U 1.387(12) . ?
C00U H00U 0.9300 . ?
C00V C01S 1.509(12) . ?
C00V C01L 1.541(13) . ?
C00W H00M 0.9600 . ?
C00W H00O 0.9600 . ?
C00W H00P 0.9600 . ?
C00X H00R 0.9600 . ?
C00X H00S 0.9600 . ?
C00X H00T 0.9600 . ?
C00Y C011 1.529(13) . ?
C00Y H00V 0.9600 . ?
C00Y H00W 0.9600 . ?
C00Y H37 0.9600 . ?
C00Z H36 0.9600 . ?
C00Z H00: 0.9600 . ?
C00Z H00 0.9600 . ?
C010 C01V 1.390(15) . ?
C010 C01K 1.449(15) . ?
C010 H010 0.9300 . ?
C011 C01O 1.513(12) . ?
C011 C01F 1.517(13) . ?
C012 C01W 1.374(15) . ?
C012 H012 0.9300 . ?
C013 H01A 0.9600 . ?
C013 H01B 0.9600 . ?
C013 H01C 0.9600 . ?
C014 H01D 0.9600 . ?
C014 H01E 0.9600 . ?
C014 H01F 0.9600 . ?
C015 H01G 0.9600 . ?
C015 H01H 0.9600 . ?
C015 H01I 0.9600 . ?
C016 C01B 1.363(15) . ?
C016 H016 0.9300 . ?
C017 H01J 0.9600 . ?
C017 H01K 0.9600 . ?
C017 H01L 0.9600 . ?
C018 C01G 1.398(16) . ?
C018 C01J 1.432(14) . ?
C018 H018 0.9300 . ?
C019 C01E 1.400(15) . ?
C019 C01J 1.407(15) . ?
C019 H019 0.9300 . ?
C01A H01M 0.9600 . ?
C01A H01N 0.9600 . ?
C01A H01O 0.9600 . ?
C01B C01U 1.404(14) . ?
C01B H01P 0.9300 . ?
C01C H01Q 0.9600 . ?
C01C H01R 0.9600 . ?
C01C H01S 0.9600 . ?
C01E C01G 1.435(15) . ?
C01E H01T 0.9300 . ?
C01F H01U 0.9600 . ?
C01F H01V 0.9600 . ?
C01F H01W 0.9600 . ?
C01G H35 0.9300 . ?
C01H C01I 1.408(15) . ?
C01H C01V 1.411(15) . ?
C01H H34 0.9300 . ?
C01I C01K 1.383(14) . ?
C01I H33 0.9300 . ?
C01J H32 0.9300 . ?
C01K H31 0.9300 . ?
C01L H30 0.9600 . ?
C01L H18 0.9600 . ?
C01L H9 0.9600 . ?
C01M H29 0.9600 . ?
C01M H17 0.9600 . ?
C01M H8 0.9600 . ?
C01N H28 0.9600 . ?
C01N H16 0.9600 . ?
C01N H7 0.9600 . ?
C01O H27 0.9600 . ?
C01O H15 0.9600 . ?
C01O H6 0.9600 . ?
C01P H26 0.9600 . ?
C01P H14 0.9600 . ?
C01P H5 0.9600 . ?
C01Q H25 0.9600 . ?
C01Q H13 0.9600 . ?
C01Q H4 0.9600 . ?
C01R H24 0.9600 . ?
C01R H12 0.9600 . ?
C01R H3 0.9600 . ?
C01S H23 0.9600 . ?
C01S H11 0.9600 . ?
C01S H2 0.9600 . ?
C01T H22 0.9600 . ?
C01T H10 0.9600 . ?
C01T H1 0.9600 . ?
C01U H21 0.9300 . ?
C01V H20 0.9300 . ?
C01W C01Y 1.384(18) . ?
C01W H19 0.9300 . ?
C01X C01Y 1.395(17) . ?
C01X H01X 0.9300 . ?
C01Y H01Y 0.9300 . ?
