#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:36:37 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180441 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/10/7211016.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_7211016
loop_
_publ_author_name
'Zhang, Muwei'
'Chen, Ying-Pin'
'Zhou, Hong-Cai'
_publ_section_title
;
 Structural design of porous coordination networks from tetrahedral
 building units
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              9544
_journal_paper_doi               10.1039/c3ce41105b
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety
'[Cd3 (C28 H16 O8 Si)2] [Cd (C5H9NO)2 (C4H9NO)2 (H2O)2] (C4H9NO)2'
_chemical_formula_sum            'C82 H90 Cd4 N6 O24 Si2'
_chemical_formula_weight         2049.38
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                115.922(2)
_cell_angle_beta                 113.196(2)
_cell_angle_gamma                97.1440(10)
_cell_formula_units_Z            1
_cell_length_a                   13.9817(19)
_cell_length_b                   14.1817(19)
_cell_length_c                   14.270(3)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      29.1589
_cell_measurement_theta_min      2.6224
_cell_volume                     2183.4(6)
_computing_cell_refinement       'SAINT+ ver. (Bruker, 2001)'
_computing_data_collection       'APEX2  (Bruker, 2008)'
_computing_data_reduction        'SAINT+ ver. (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0198
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22910
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    1.064
_exptl_absorpt_correction_T_max  0.8153
_exptl_absorpt_correction_T_min  0.7407
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blocky
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.133
_refine_diff_density_min         -2.367
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         8546
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+8.8000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0805
_refine_ls_wR_factor_ref         0.0813
_reflns_number_gt                8180
_reflns_number_total             8546
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41105b.txt
_cod_data_source_block           p1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2183.5(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7211016
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.504891(17) 0.384270(17) 0.185287(18) 0.01239(6) Uani 1 1 d . . .
Cd2 Cd 0.5000 0.5000 0.0000 0.01117(7) Uani 1 2 d S . .
Cd3 Cd 1.0000 0.5000 0.5000 0.01789(8) Uani 1 2 d S . .
Si1 Si 0.76388(6) 0.14398(7) -0.32130(7) 0.01205(16) Uani 1 1 d . . .
O2 O 0.57825(17) 0.39172(17) 0.06922(18) 0.0155(4) Uani 1 1 d . . .
O1 O 0.5167(2) 0.21903(19) 0.0284(2) 0.0231(5) Uani 1 1 d . . .
O8 O 0.5650(2) -0.43483(19) -0.6786(2) 0.0254(5) Uani 1 1 d . . .
O10S O 0.84655(19) 0.3737(2) 0.3196(2) 0.0239(5) Uani 1 1 d D . .
O1S O 1.0011(2) 0.6474(2) 0.4720(2) 0.0258(5) Uani 1 1 d . . .
O3 O 1.32815(19) 0.4030(2) -0.0464(2) 0.0267(5) Uani 1 1 d . . .
C5 C 0.7069(2) 0.1802(2) -0.2163(3) 0.0143(6) Uani 1 1 d . . .
C12 C 0.9205(2) 0.2009(3) -0.2312(3) 0.0148(6) Uani 1 1 d . . .
O5 O 0.64816(19) 0.3521(2) -0.6918(2) 0.0228(5) Uani 1 1 d . . .
C15 C 0.5864(3) 0.3199(3) -0.6583(3) 0.0174(6) Uani 1 1 d . . .
O4 O 1.32623(18) 0.3209(2) 0.0571(2) 0.0220(5) Uani 1 1 d . . .
O13 O 1.1154(2) 0.4478(2) 0.4265(2) 0.0270(5) Uani 1 1 d . . .
C2 C 0.6182(2) 0.2500(3) -0.0625(3) 0.0153(6) Uani 1 1 d . . .
C19 C 0.7173(2) 0.2116(2) -0.4098(3) 0.0151(6) Uani 1 1 d . . .
O6 O 0.48809(18) 0.3184(2) -0.6958(2) 0.0213(5) Uani 1 1 d . . .
C23 C 0.6196(2) -0.2419(3) -0.6116(3) 0.0165(6) Uani 1 1 d . . .
C1 C 0.5666(2) 0.2872(3) 0.0156(3) 0.0166(6) Uani 1 1 d . . .
C24 C 0.6760(3) -0.2057(3) -0.4900(3) 0.0168(6) Uani 1 1 d . . .
H19 H 0.6844 -0.2590 -0.4669 0.020 Uiso 1 1 calc R . .
C25 C 0.7202(2) -0.0916(3) -0.4023(3) 0.0163(6) Uani 1 1 d . . .
H20 H 0.7592 -0.0678 -0.3197 0.020 Uiso 1 1 calc R . .
C7 C 0.5951(3) 0.1362(3) -0.1368(3) 0.0186(6) Uani 1 1 d . . .
H21 H 0.5501 0.0821 -0.1347 0.022 Uiso 1 1 calc R . .
C26 C 0.7082(2) -0.0111(2) -0.4336(3) 0.0143(6) Uani 1 1 d . . .
C10 C 1.0945(3) 0.3570(3) -0.1230(3) 0.0202(6) Uani 1 1 d . . .
H23 H 1.1321 0.4313 -0.0983 0.024 Uiso 1 1 calc R . .
N2S N 1.1997(3) 0.4255(2) 0.3140(3) 0.0300(7) Uani 1 1 d D . .
C20 C 0.6111(3) 0.2191(3) -0.4471(3) 0.0218(7) Uani 1 1 d . . .
H25 H 0.5669 0.1998 -0.4174 0.026 Uiso 1 1 calc R . .
C14 C 1.0989(3) 0.1850(3) -0.1320(3) 0.0214(7) Uani 1 1 d . . .
H26 H 1.1395 0.1421 -0.1102 0.026 Uiso 1 1 calc R . .
C6 C 0.6379(3) 0.1017(3) -0.2144(3) 0.0178(6) Uani 1 1 d . . .
H27 H 0.6198 0.0238 -0.2667 0.021 Uiso 1 1 calc R . .
O7 O 0.5386(2) -0.3862(2) -0.8136(2) 0.0325(6) Uani 1 1 d . . .
C17 C 0.7391(3) 0.2779(3) -0.5336(3) 0.0186(6) Uani 1 1 d . . .
H29 H 0.7837 0.2987 -0.5622 0.022 Uiso 1 1 calc R . .
C8 C 1.2813(2) 0.3440(3) -0.0217(3) 0.0177(6) Uani 1 1 d . . .
C28 C 0.6082(3) -0.1634(3) -0.6442(3) 0.0200(6) Uani 1 1 d . . .
H31 H 0.5706 -0.1875 -0.7270 0.024 Uiso 1 1 calc R . .
C22 C 0.5700(3) -0.3645(3) -0.7094(3) 0.0192(6) Uani 1 1 d . . .
C1S C 0.9289(3) 0.6787(3) 0.4210(3) 0.0233(7) Uani 1 1 d . . .
C9 C 1.1556(2) 0.2940(3) -0.0938(3) 0.0168(6) Uani 1 1 d . . .
C27 C 0.6514(3) -0.0499(3) -0.5567(3) 0.0188(6) Uani 1 1 d . . .
H35 H 0.6423 0.0027 -0.5806 0.023 Uiso 1 1 calc R . .
C13 C 0.9832(3) 0.1382(3) -0.2022(3) 0.0205(6) Uani 1 1 d . . .
H37 H 0.9461 0.0624 -0.2309 0.025 Uiso 1 1 calc R . .
C16 C 0.6326(3) 0.2831(3) -0.5713(3) 0.0174(6) Uani 1 1 d . . .
C5S C 1.1163(3) 0.4382(2) 0.3358(3) 0.0249(7) Uani 1 1 d D . .
C21 C 0.5694(3) 0.2542(3) -0.5267(3) 0.0235(7) Uani 1 1 d . . .
H40 H 0.4972 0.2586 -0.5509 0.028 Uiso 1 1 calc R . .
C3 C 0.6869(3) 0.3292(3) -0.0627(3) 0.0198(6) Uani 1 1 d . . .
H41 H 0.7034 0.4069 -0.0115 0.024 Uiso 1 1 calc R . .
N1S N 0.9498(3) 0.7888(3) 0.4659(3) 0.0290(7) Uani 1 1 d . . .
C4 C 0.7315(3) 0.2945(3) -0.1381(3) 0.0211(7) Uani 1 1 d . . .
H43 H 0.7797 0.3493 -0.1366 0.025 Uiso 1 1 calc R . .
C9S C 1.3035(3) 0.4264(3) 0.3942(4) 0.0354(9) Uani 1 1 d . . .
H44A H 1.3012 0.4335 0.4647 0.053 Uiso 1 1 calc R . .
H44B H 1.3654 0.4902 0.4204 0.053 Uiso 1 1 calc R . .
H44C H 1.3143 0.3563 0.3519 0.053 Uiso 1 1 calc R . .
C2S C 0.8189(3) 0.5941(3) 0.3121(3) 0.0306(8) Uani 1 1 d . . .
H47A H 0.8273 0.5220 0.2716 0.046 Uiso 1 1 calc R . .
H47B H 0.7933 0.6204 0.2567 0.046 Uiso 1 1 calc R . .
H47C H 0.7640 0.5846 0.3369 0.046 Uiso 1 1 calc R . .
C6S C 1.0224(3) 0.4326(3) 0.2314(3) 0.0330(8) Uani 1 1 d D . .
H48A H 1.0074 0.5035 0.2579 0.040 Uiso 1 1 calc R . .
H48B H 0.9533 0.3696 0.1940 0.040 Uiso 1 1 calc R . .
C18 C 0.7801(3) 0.2423(3) -0.4545(3) 0.0183(6) Uani 1 1 d . . .
H52 H 0.8526 0.2387 -0.4299 0.022 Uiso 1 1 calc R . .
C3S C 1.0510(4) 0.8712(3) 0.5804(4) 0.0417(10) Uani 1 1 d . . .
H53A H 1.0841 0.8341 0.6219 0.063 Uiso 1 1 calc R . .
H53B H 1.0323 0.9301 0.6309 0.063 Uiso 1 1 calc R . .
H53C H 1.1043 0.9049 0.5653 0.063 Uiso 1 1 calc R . .
C11 C 0.9791(3) 0.3117(3) -0.1880(3) 0.0187(6) Uani 1 1 d . . .
H54 H 0.9386 0.3571 -0.2037 0.022 Uiso 1 1 calc R . .
C4S C 0.8797(4) 0.8363(4) 0.4072(4) 0.0374(9) Uani 1 1 d . . .
H55A H 0.8130 0.7755 0.3327 0.056 Uiso 1 1 calc R . .
H55B H 0.9214 0.8789 0.3882 0.056 Uiso 1 1 calc R . .
H55C H 0.8575 0.8863 0.4613 0.056 Uiso 1 1 calc R . .
C7S C 1.0647(4) 0.4144(4) 0.1441(4) 0.0580(14) Uani 1 1 d D . .
H57A H 1.0143 0.3430 0.0661 0.070 Uiso 1 1 calc R . .
H57B H 1.0679 0.4765 0.1296 0.070 Uiso 1 1 calc R . .
C8S C 1.1771(4) 0.4104(3) 0.1990(4) 0.0529(12) Uani 1 1 d D . .
H58A H 1.1793 0.3373 0.1469 0.064 Uiso 1 1 calc R . .
H58B H 1.2330 0.4711 0.2109 0.064 Uiso 1 1 calc R . .
H15 H 0.839(4) 0.2980(13) 0.269(4) 0.072(18) Uiso 1 1 d D . .
H17 H 0.7732(19) 0.355(3) 0.309(5) 0.081(19) Uiso 1 1 d D . .
O11S O 0.8724(7) 0.1920(6) 0.1700(7) 0.0340(12) Uani 0.477(9) 1 d P A 1
N11S N 0.7203(6) 0.0278(5) 0.0513(6) 0.0340(12) Uani 0.477(9) 1 d PD A 1
C11S C 0.8195(7) 0.0955(7) 0.0812(7) 0.0340(12) Uani 0.477(9) 1 d PD A 1
C12S C 0.8398(8) 0.0313(8) -0.0213(7) 0.0340(12) Uani 0.477(9) 1 d PD A 1
H12A H 0.9106 0.0756 -0.0047 0.051 Uiso 0.477(9) 1 calc PR A 1
H12B H 0.7790 0.0171 -0.0963 0.051 Uiso 0.477(9) 1 calc PR A 1
H12C H 0.8431 -0.0403 -0.0295 0.051 Uiso 0.477(9) 1 calc PR A 1
C13S C 0.6660(14) 0.0600(12) 0.1177(15) 0.0340(12) Uani 0.477(9) 1 d PD A 1
H13A H 0.7160 0.1309 0.1947 0.051 Uiso 0.477(9) 1 calc PR A 1
H13B H 0.6453 0.0017 0.1329 0.051 Uiso 0.477(9) 1 calc PR A 1
H13C H 0.5987 0.0700 0.0721 0.051 Uiso 0.477(9) 1 calc PR A 1
C14S C 0.6670(8) -0.0741(6) -0.0610(7) 0.0340(12) Uani 0.477(9) 1 d PD A 1
H14A H 0.7184 -0.0861 -0.0922 0.051 Uiso 0.477(9) 1 calc PR A 1
H14B H 0.6009 -0.0710 -0.1176 0.051 Uiso 0.477(9) 1 calc PR A 1
H14C H 0.6444 -0.1360 -0.0515 0.051 Uiso 0.477(9) 1 calc PR A 1
O21S O 0.8567(7) 0.1768(6) 0.1849(7) 0.0430(13) Uani 0.523(9) 1 d P A 2
N21S N 0.7715(6) 0.0097(6) 0.0095(6) 0.0430(13) Uani 0.523(9) 1 d P A 2
C21S C 0.7709(8) 0.0883(8) 0.1044(8) 0.0430(13) Uani 0.523(9) 1 d P A 2
C23S C 0.8718(8) 0.0378(9) -0.0004(8) 0.0430(13) Uani 0.523(9) 1 d P A 2
H23A H 0.9276 0.1093 0.0724 0.064 Uiso 0.523(9) 1 calc PR A 2
H23B H 0.8508 0.0443 -0.0709 0.064 Uiso 0.523(9) 1 calc PR A 2
H23C H 0.9031 -0.0217 -0.0094 0.064 Uiso 0.523(9) 1 calc PR A 2
C22S C 0.6723(15) 0.0731(12) 0.1271(16) 0.0430(13) Uani 0.523(9) 1 d P A 2
H22A H 0.6890 0.1403 0.2019 0.064 Uiso 0.523(9) 1 calc PR A 2
H22B H 0.6610 0.0075 0.1342 0.064 Uiso 0.523(9) 1 calc PR A 2
H22C H 0.6046 0.0620 0.0597 0.064 Uiso 0.523(9) 1 calc PR A 2
C24S C 0.6799(8) -0.0934(8) -0.0901(9) 0.0430(13) Uani 0.523(9) 1 d P A 2
H24A H 0.6177 -0.1000 -0.0749 0.064 Uiso 0.523(9) 1 calc PR A 2
H24B H 0.7040 -0.1573 -0.0988 0.064 Uiso 0.523(9) 1 calc PR A 2
H24C H 0.6559 -0.0930 -0.1644 0.064 Uiso 0.523(9) 1 calc PR A 2
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'
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'
Cd Cd -0.8075 1.2024 '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'
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
O4 Cd1 O8 111.03(9) 1_455 1_566
O4 Cd1 O2 100.73(8) 1_455 .
O8 Cd1 O2 100.13(8) 1_566 .
O4 Cd1 O6 96.44(8) 1_455 1_556
O8 Cd1 O6 96.87(9) 1_566 1_556
O2 Cd1 O6 149.54(7) . 1_556
O4 Cd1 O5 145.70(8) 1_455 1_556
O8 Cd1 O5 94.03(9) 1_566 1_556
O2 Cd1 O5 97.26(8) . 1_556
O6 Cd1 O5 56.28(8) 1_556 1_556
O4 Cd1 O1 87.46(8) 1_455 .
O8 Cd1 O1 152.13(8) 1_566 .
O2 Cd1 O1 54.61(7) . .
O6 Cd1 O1 101.69(8) 1_556 .
O5 Cd1 O1 79.53(8) 1_556 .
O4 Cd1 C15 121.97(9) 1_455 1_556
O8 Cd1 C15 96.37(9) 1_566 1_556
O2 Cd1 C15 124.13(9) . 1_556
O6 Cd1 C15 28.03(9) 1_556 1_556
O5 Cd1 C15 28.25(9) 1_556 1_556
O1 Cd1 C15 90.56(9) . 1_556
O4 Cd1 C1 96.03(9) 1_455 .
O8 Cd1 C1 126.62(9) 1_566 .
O2 Cd1 C1 27.84(8) . .
O6 Cd1 C1 125.64(9) 1_556 .
O5 Cd1 C1 86.52(9) 1_556 .
O1 Cd1 C1 26.86(8) . .
C15 Cd1 C1 107.17(9) 1_556 .
O7 Cd2 O7 180.0(2) 2_654 1_566
O7 Cd2 O3 89.75(10) 2_654 2_765
O7 Cd2 O3 90.25(10) 1_566 2_765
O7 Cd2 O3 90.25(10) 2_654 1_455
O7 Cd2 O3 89.75(10) 1_566 1_455
O3 Cd2 O3 180.00(15) 2_765 1_455
O7 Cd2 O2 93.95(8) 2_654 .
O7 Cd2 O2 86.05(8) 1_566 .
O3 Cd2 O2 89.23(8) 2_765 .
O3 Cd2 O2 90.77(8) 1_455 .
O7 Cd2 O2 86.05(8) 2_654 2_665
O7 Cd2 O2 93.95(8) 1_566 2_665
O3 Cd2 O2 90.77(8) 2_765 2_665
O3 Cd2 O2 89.23(8) 1_455 2_665
O2 Cd2 O2 180.0 . 2_665
O10S Cd3 O10S 179.999(1) 2_766 .
O10S Cd3 O13 88.03(9) 2_766 .
O10S Cd3 O13 91.97(9) . .
O10S Cd3 O13 91.97(9) 2_766 2_766
O10S Cd3 O13 88.03(9) . 2_766
O13 Cd3 O13 179.998(1) . 2_766
O10S Cd3 O1S 84.81(9) 2_766 .
O10S Cd3 O1S 95.19(9) . .
O13 Cd3 O1S 94.77(9) . .
O13 Cd3 O1S 85.23(9) 2_766 .
O10S Cd3 O1S 95.19(9) 2_766 2_766
O10S Cd3 O1S 84.81(9) . 2_766
O13 Cd3 O1S 85.23(9) . 2_766
O13 Cd3 O1S 94.77(9) 2_766 2_766
O1S Cd3 O1S 179.999(1) . 2_766
C19 Si1 C5 108.31(13) . .
C19 Si1 C26 106.61(13) . .
C5 Si1 C26 112.08(13) . .
C19 Si1 C12 108.99(14) . .
C5 Si1 C12 109.39(13) . .
C26 Si1 C12 111.34(13) . .
C1 O2 Cd1 95.82(18) . .
C1 O2 Cd2 132.63(19) . .
Cd1 O2 Cd2 104.49(8) . .
C1 O1 Cd1 86.84(18) . .
C22 O8 Cd1 119.6(2) . 1_544
Cd3 O10S H15 124(3) . .
Cd3 O10S H17 123(3) . .
H15 O10S H17 95.4(3) . .
C1S O1S Cd3 135.8(2) . .
C8 O3 Cd2 142.4(2) . 1_655
C6 C5 C4 117.9(3) . .
C6 C5 Si1 124.7(2) . .
C4 C5 Si1 117.3(2) . .
C11 C12 C13 117.2(3) . .
C11 C12 Si1 119.6(2) . .
C13 C12 Si1 123.2(2) . .
C15 O5 Cd1 90.93(18) . 1_554
O6 C15 O5 121.6(3) . .
O6 C15 C16 119.6(3) . .
O5 C15 C16 118.8(3) . .
O6 C15 Cd1 60.81(16) . 1_554
O5 C15 Cd1 60.83(16) . 1_554
C16 C15 Cd1 179.4(2) . 1_554
C8 O4 Cd1 126.1(2) . 1_655
C5S O13 Cd3 130.7(2) . .
C3 C2 C7 119.9(3) . .
C3 C2 C1 119.8(3) . .
C7 C2 C1 120.2(3) . .
C18 C19 C20 117.5(3) . .
C18 C19 Si1 121.4(2) . .
C20 C19 Si1 120.5(2) . .
C15 O6 Cd1 91.16(18) . 1_554
C28 C23 C24 119.4(3) . .
C28 C23 C22 118.8(3) . .
C24 C23 C22 121.8(3) . .
O1 C1 O2 122.3(3) . .
O1 C1 C2 120.4(3) . .
O2 C1 C2 117.3(3) . .
O1 C1 Cd1 66.30(16) . .
O2 C1 Cd1 56.35(15) . .
C2 C1 Cd1 170.6(2) . .
C23 C24 C25 120.1(3) . .
C23 C24 H19 120.0 . .
C25 C24 H19 120.0 . .
C24 C25 C26 121.3(3) . .
C24 C25 H20 119.3 . .
C26 C25 H20 119.3 . .
C2 C7 C6 120.0(3) . .
C2 C7 H21 120.0 . .
C6 C7 H21 120.0 . .
C25 C26 C27 117.4(3) . .
C25 C26 Si1 124.1(2) . .
C27 C26 Si1 118.6(2) . .
C11 C10 C9 120.2(3) . .
C11 C10 H23 119.9 . .
C9 C10 H23 119.9 . .
C5S N2S C9S 125.1(3) . .
C5S N2S C8S 113.2(3) . .
C9S N2S C8S 121.8(3) . .
C21 C20 C19 121.1(3) . .
C21 C20 H25 119.4 . .
C19 C20 H25 119.4 . .
C9 C14 C13 120.5(3) . .
C9 C14 H26 119.7 . .
C13 C14 H26 119.7 . .
C5 C6 C7 120.9(3) . .
C5 C6 H27 119.6 . .
C7 C6 H27 119.6 . .
C22 O7 Cd2 150.7(2) . 1_544
C18 C17 C16 120.1(3) . .
C18 C17 H29 120.0 . .
C16 C17 H29 120.0 . .
O3 C8 O4 127.8(3) . .
O3 C8 C9 116.9(3) . .
O4 C8 C9 115.3(3) . .
C23 C28 C27 120.4(3) . .
C23 C28 H31 119.8 . .
C27 C28 H31 119.8 . .
O7 C22 O8 126.3(3) . .
O7 C22 C23 116.2(3) . .
O8 C22 C23 117.5(3) . .
O1S C1S N1S 119.4(3) . .
O1S C1S C2S 120.3(3) . .
N1S C1S C2S 120.2(3) . .
C14 C9 C10 118.9(3) . .
C14 C9 C8 120.9(3) . .
C10 C9 C8 120.2(3) . .
C28 C27 C26 121.4(3) . .
C28 C27 H35 119.3 . .
C26 C27 H35 119.3 . .
C14 C13 C12 121.2(3) . .
C14 C13 H37 119.4 . .
C12 C13 H37 119.4 . .
C21 C16 C17 119.2(3) . .
C21 C16 C15 120.1(3) . .
C17 C16 C15 120.7(3) . .
O13 C5S N2S 124.3(3) . .
O13 C5S C6S 126.0(3) . .
N2S C5S C6S 109.6(3) . .
C20 C21 C16 120.4(3) . .
C20 C21 H40 119.8 . .
C16 C21 H40 119.8 . .
C2 C3 C4 119.8(3) . .
C2 C3 H41 120.1 . .
C4 C3 H41 120.1 . .
C1S N1S C4S 125.0(3) . .
C1S N1S C3S 120.1(3) . .
C4S N1S C3S 114.9(3) . .
C3 C4 C5 121.4(3) . .
C3 C4 H43 119.3 . .
C5 C4 H43 119.3 . .
N2S C9S H44A 109.5 . .
N2S C9S H44B 109.5 . .
H44A C9S H44B 109.5 . .
N2S C9S H44C 109.5 . .
H44A C9S H44C 109.5 . .
H44B C9S H44C 109.5 . .
C1S C2S H47A 109.5 . .
C1S C2S H47B 109.5 . .
H47A C2S H47B 109.5 . .
C1S C2S H47C 109.5 . .
H47A C2S H47C 109.5 . .
H47B C2S H47C 109.5 . .
C5S C6S C7S 104.0(3) . .
C5S C6S H48A 111.0 . .
C7S C6S H48A 111.0 . .
C5S C6S H48B 111.0 . .
C7S C6S H48B 111.0 . .
H48A C6S H48B 109.0 . .
C17 C18 C19 121.6(3) . .
C17 C18 H52 119.2 . .
C19 C18 H52 119.2 . .
N1S C3S H53A 109.5 . .
N1S C3S H53B 109.5 . .
H53A C3S H53B 109.5 . .
N1S C3S H53C 109.5 . .
H53A C3S H53C 109.5 . .
H53B C3S H53C 109.5 . .
C10 C11 C12 121.8(3) . .
C10 C11 H54 119.1 . .
C12 C11 H54 119.1 . .
N1S C4S H55A 109.5 . .
N1S C4S H55B 109.5 . .
H55A C4S H55B 109.5 . .
N1S C4S H55C 109.5 . .
H55A C4S H55C 109.5 . .
H55B C4S H55C 109.5 . .
C8S C7S C6S 107.4(4) . .
C8S C7S H57A 110.2 . .
C6S C7S H57A 110.2 . .
C8S C7S H57B 110.2 . .
C6S C7S H57B 110.2 . .
H57A C7S H57B 108.5 . .
N2S C8S C7S 105.8(4) . .
N2S C8S H58A 110.6 . .
C7S C8S H58A 110.6 . .
N2S C8S H58B 110.6 . .
C7S C8S H58B 110.6 . .
H58A C8S H58B 108.7 . .
C11S N11S C13S 124.0(8) . .
C11S N11S C14S 115.4(7) . .
C13S N11S C14S 120.2(9) . .
O11S C11S N11S 124.4(8) . .
O11S C11S C12S 129.7(9) . .
N11S C11S C12S 105.6(7) . .
C11S C12S H12A 109.5 . .
C11S C12S H12B 109.5 . .
H12A C12S H12B 109.5 . .
C11S C12S H12C 109.5 . .
H12A C12S H12C 109.5 . .
H12B C12S H12C 109.5 . .
N11S C13S H13A 109.5 . .
N11S C13S H13B 109.5 . .
H13A C13S H13B 109.5 . .
N11S C13S H13C 109.5 . .
H13A C13S H13C 109.5 . .
H13B C13S H13C 109.5 . .
N11S C14S H14A 109.5 . .
N11S C14S H14B 109.5 . .
H14A C14S H14B 109.5 . .
N11S C14S H14C 109.5 . .
H14A C14S H14C 109.5 . .
H14B C14S H14C 109.5 . .
C21S N21S C24S 126.2(8) . .
C21S N21S C23S 116.0(8) . .
C24S N21S C23S 117.4(7) . .
O21S C21S N21S 119.9(9) . .
O21S C21S C22S 117.3(9) . .
N21S C21S C22S 122.6(9) . .
N21S C23S H23A 109.5 . .
N21S C23S H23B 109.5 . .
H23A C23S H23B 109.5 . .
N21S C23S H23C 109.5 . .
H23A C23S H23C 109.5 . .
H23B C23S H23C 109.5 . .
C21S C22S H22A 109.5 . .
C21S C22S H22B 109.5 . .
H22A C22S H22B 109.5 . .
C21S C22S H22C 109.5 . .
H22A C22S H22C 109.5 . .
H22B C22S H22C 109.5 . .
N21S C24S H24A 109.5 . .
N21S C24S H24B 109.5 . .
H24A C24S H24B 109.5 . .
N21S C24S H24C 109.5 . .
H24A C24S H24C 109.5 . .
H24B C24S H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O4 2.191(2) 1_455
Cd1 O8 2.210(2) 1_566
Cd1 O2 2.296(2) .
Cd1 O6 2.335(2) 1_556
Cd1 O5 2.335(2) 1_556
Cd1 O1 2.516(2) .
Cd1 C15 2.674(3) 1_556
Cd1 C1 2.744(3) .
Cd2 O7 2.207(2) 2_654
Cd2 O7 2.207(2) 1_566
Cd2 O3 2.288(2) 2_765
Cd2 O3 2.288(2) 1_455
Cd2 O2 2.329(2) .
Cd2 O2 2.329(2) 2_665
Cd3 O10S 2.259(2) 2_766
Cd3 O10S 2.259(2) .
Cd3 O13 2.282(2) .
Cd3 O13 2.282(2) 2_766
Cd3 O1S 2.292(2) .
Cd3 O1S 2.292(2) 2_766
Si1 C19 1.872(3) .
Si1 C5 1.873(3) .
Si1 C26 1.876(3) .
Si1 C12 1.880(3) .
O2 C1 1.288(4) .
O1 C1 1.242(4) .
O8 C22 1.259(4) .
O8 Cd1 2.210(2) 1_544
O10S H15 0.9599(10) .
O10S H17 0.9599(10) .
O1S C1S 1.249(4) .
O3 C8 1.248(4) .
O3 Cd2 2.288(2) 1_655
C5 C6 1.397(4) .
C5 C4 1.403(4) .
C12 C11 1.398(4) .
C12 C13 1.400(4) .
O5 C15 1.266(4) .
O5 Cd1 2.335(2) 1_554
C15 O6 1.257(4) .
C15 C16 1.501(4) .
C15 Cd1 2.674(3) 1_554
O4 C8 1.258(4) .
O4 Cd1 2.191(2) 1_655
O13 C5S 1.245(4) .
C2 C3 1.385(4) .
C2 C7 1.392(4) .
C2 C1 1.502(4) .
C19 C18 1.398(4) .
C19 C20 1.403(4) .
O6 Cd1 2.335(2) 1_554
C23 C28 1.385(5) .
C23 C24 1.392(4) .
C23 C22 1.506(4) .
C24 C25 1.393(4) .
C24 H19 0.9500 .
C25 C26 1.401(4) .
C25 H20 0.9500 .
C7 C6 1.395(4) .
C7 H21 0.9500 .
C26 C27 1.402(4) .
C10 C11 1.386(4) .
C10 C9 1.391(4) .
C10 H23 0.9500 .
N2S C5S 1.334(5) .
N2S C9S 1.445(5) .
N2S C8S 1.452(5) .
C20 C21 1.387(5) .
C20 H25 0.9500 .
C14 C9 1.390(4) .
C14 C13 1.391(4) .
C14 H26 0.9500 .
C6 H27 0.9500 .
O7 C22 1.245(4) .
O7 Cd2 2.207(2) 1_544
C17 C18 1.384(4) .
C17 C16 1.394(4) .
C17 H29 0.9500 .
C8 C9 1.509(4) .
C28 C27 1.387(4) .
C28 H31 0.9500 .
C1S N1S 1.340(5) .
C1S C2S 1.500(5) .
C27 H35 0.9500 .
C13 H37 0.9500 .
C16 C21 1.391(5) .
C5S C6S 1.510(5) .
C21 H40 0.9500 .
C3 C4 1.390(4) .
C3 H41 0.9500 .
N1S C4S 1.459(5) .
N1S C3S 1.461(5) .
C4 H43 0.9500 .
C9S H44A 0.9800 .
C9S H44B 0.9800 .
C9S H44C 0.9800 .
C2S H47A 0.9800 .
C2S H47B 0.9800 .
C2S H47C 0.9800 .
C6S C7S 1.519(6) .
C6S H48A 0.9900 .
C6S H48B 0.9900 .
C18 H52 0.9500 .
C3S H53A 0.9800 .
C3S H53B 0.9800 .
C3S H53C 0.9800 .
C11 H54 0.9500 .
C4S H55A 0.9800 .
C4S H55B 0.9800 .
C4S H55C 0.9800 .
C7S C8S 1.476(7) .
C7S H57A 0.9900 .
C7S H57B 0.9900 .
C8S H58A 0.9900 .
C8S H58B 0.9900 .
O11S C11S 1.233(11) .
N11S C11S 1.368(12) .
N11S C13S 1.399(3) .
N11S C14S 1.406(3) .
C11S C12S 1.509(2) .
C12S H12A 0.9800 .
C12S H12B 0.9800 .
C12S H12C 0.9800 .
C13S H13A 0.9800 .
C13S H13B 0.9800 .
C13S H13C 0.9800 .
C14S H14A 0.9800 .
C14S H14B 0.9800 .
C14S H14C 0.9800 .
O21S C21S 1.270(12) .
N21S C21S 1.329(12) .
N21S C24S 1.443(11) .
N21S C23S 1.488(12) .
C21S C22S 1.546(16) .
C23S H23A 0.9800 .
C23S H23B 0.9800 .
C23S H23C 0.9800 .
C22S H22A 0.9800 .
C22S H22B 0.9800 .
C22S H22C 0.9800 .
C24S H24A 0.9800 .
C24S H24B 0.9800 .
C24S H24C 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
O4 Cd1 O2 C1 -82.53(18) 1_455 .
O8 Cd1 O2 C1 163.58(17) 1_566 .
O6 Cd1 O2 C1 40.7(2) 1_556 .
O5 Cd1 O2 C1 68.14(18) 1_556 .
O1 Cd1 O2 C1 -3.48(16) . .
C15 Cd1 O2 C1 58.7(2) 1_556 .
O4 Cd1 O2 Cd2 54.31(10) 1_455 .
O8 Cd1 O2 Cd2 -59.58(10) 1_566 .
O6 Cd1 O2 Cd2 177.50(12) 1_556 .
O5 Cd1 O2 Cd2 -155.02(9) 1_556 .
O1 Cd1 O2 Cd2 133.36(12) . .
C15 Cd1 O2 Cd2 -164.48(9) 1_556 .
C1 Cd1 O2 Cd2 136.8(2) . .
O7 Cd2 O2 C1 -23.1(3) 2_654 .
O7 Cd2 O2 C1 156.9(3) 1_566 .
O3 Cd2 O2 C1 -112.8(3) 2_765 .
O3 Cd2 O2 C1 67.2(3) 1_455 .
O2 Cd2 O2 C1 -33(83) 2_665 .
O7 Cd2 O2 Cd1 -135.39(10) 2_654 .
O7 Cd2 O2 Cd1 44.61(10) 1_566 .
O3 Cd2 O2 Cd1 134.91(10) 2_765 .
O3 Cd2 O2 Cd1 -45.09(10) 1_455 .
O2 Cd2 O2 Cd1 -145(83) 2_665 .
O4 Cd1 O1 C1 108.67(19) 1_455 .
O8 Cd1 O1 C1 -24.5(3) 1_566 .
O2 Cd1 O1 C1 3.60(17) . .
O6 Cd1 O1 C1 -155.27(18) 1_556 .
O5 Cd1 O1 C1 -103.21(19) 1_556 .
C15 Cd1 O1 C1 -129.35(19) 1_556 .
O10S Cd3 O1S C1S -145.4(3) 2_766 .
O10S Cd3 O1S C1S 34.6(3) . .
O13 Cd3 O1S C1S 127.0(3) . .
O13 Cd3 O1S C1S -53.0(3) 2_766 .
O1S Cd3 O1S C1S 104(17) 2_766 .
C19 Si1 C5 C6 121.9(3) . .
C26 Si1 C5 C6 4.6(3) . .
C12 Si1 C5 C6 -119.4(3) . .
C19 Si1 C5 C4 -55.0(3) . .
C26 Si1 C5 C4 -172.3(2) . .
C12 Si1 C5 C4 63.7(3) . .
C19 Si1 C12 C11 32.3(3) . .
C5 Si1 C12 C11 -85.9(3) . .
C26 Si1 C12 C11 149.7(2) . .
C19 Si1 C12 C13 -149.0(3) . .
C5 Si1 C12 C13 92.7(3) . .
C26 Si1 C12 C13 -31.7(3) . .
Cd1 O5 C15 O6 -0.7(3) 1_554 .
Cd1 O5 C15 C16 179.5(2) 1_554 .
O10S Cd3 O13 C5S -128.6(3) 2_766 .
O10S Cd3 O13 C5S 51.4(3) . .
O13 Cd3 O13 C5S 144(13) 2_766 .
O1S Cd3 O13 C5S -44.0(3) . .
O1S Cd3 O13 C5S 136.0(3) 2_766 .
C5 Si1 C19 C18 152.0(2) . .
C26 Si1 C19 C18 -87.2(3) . .
C12 Si1 C19 C18 33.1(3) . .
C5 Si1 C19 C20 -36.7(3) . .
C26 Si1 C19 C20 84.1(3) . .
C12 Si1 C19 C20 -155.6(3) . .
O5 C15 O6 Cd1 0.7(3) . 1_554
C16 C15 O6 Cd1 -179.5(3) . 1_554
Cd1 O1 C1 O2 -6.2(3) . .
Cd1 O1 C1 C2 172.6(3) . .
Cd1 O2 C1 O1 6.8(3) . .
Cd2 O2 C1 O1 -109.0(3) . .
Cd1 O2 C1 C2 -172.0(2) . .
Cd2 O2 C1 C2 72.2(3) . .
Cd2 O2 C1 Cd1 -115.8(2) . .
C3 C2 C1 O1 -170.8(3) . .
C7 C2 C1 O1 10.7(4) . .
C3 C2 C1 O2 8.0(4) . .
C7 C2 C1 O2 -170.4(3) . .
C3 C2 C1 Cd1 -37.4(14) . .
C7 C2 C1 Cd1 144.2(12) . .
O4 Cd1 C1 O1 -72.12(19) 1_455 .
O8 Cd1 C1 O1 166.00(17) 1_566 .
O2 Cd1 C1 O1 -173.7(3) . .
O6 Cd1 C1 O1 30.3(2) 1_556 .
O5 Cd1 C1 O1 73.56(18) 1_556 .
C15 Cd1 C1 O1 54.0(2) 1_556 .
O4 Cd1 C1 O2 101.60(17) 1_455 .
O8 Cd1 C1 O2 -20.3(2) 1_566 .
O6 Cd1 C1 O2 -156.02(15) 1_556 .
O5 Cd1 C1 O2 -112.73(17) 1_556 .
O1 Cd1 C1 O2 173.7(3) . .
C15 Cd1 C1 O2 -132.26(17) 1_556 .
O4 Cd1 C1 C2 151.0(13) 1_455 .
O8 Cd1 C1 C2 29.2(13) 1_566 .
O2 Cd1 C1 C2 49.4(12) . .
O6 Cd1 C1 C2 -106.6(13) 1_556 .
O5 Cd1 C1 C2 -63.3(13) 1_556 .
O1 Cd1 C1 C2 -136.8(14) . .
C15 Cd1 C1 C2 -82.8(13) 1_556 .
C28 C23 C24 C25 0.2(5) . .
C22 C23 C24 C25 -179.7(3) . .
C23 C24 C25 C26 0.7(5) . .
C3 C2 C7 C6 -2.2(5) . .
C1 C2 C7 C6 176.2(3) . .
C24 C25 C26 C27 -0.9(4) . .
C24 C25 C26 Si1 179.4(2) . .
C19 Si1 C26 C25 -176.4(2) . .
C5 Si1 C26 C25 -58.1(3) . .
C12 Si1 C26 C25 64.8(3) . .
C19 Si1 C26 C27 3.9(3) . .
C5 Si1 C26 C27 122.2(2) . .
C12 Si1 C26 C27 -114.9(2) . .
C18 C19 C20 C21 0.9(5) . .
Si1 C19 C20 C21 -170.8(3) . .
C4 C5 C6 C7 -0.2(5) . .
Si1 C5 C6 C7 -177.0(2) . .
C2 C7 C6 C5 2.0(5) . .
Cd2 O3 C8 O4 4.4(6) 1_655 .
Cd2 O3 C8 C9 -175.8(2) 1_655 .
Cd1 O4 C8 O3 3.2(5) 1_655 .
Cd1 O4 C8 C9 -176.63(19) 1_655 .
C24 C23 C28 C27 -0.8(5) . .
C22 C23 C28 C27 179.1(3) . .
Cd2 O7 C22 O8 -24.0(7) 1_544 .
Cd2 O7 C22 C23 155.5(4) 1_544 .
Cd1 O8 C22 O7 3.9(5) 1_544 .
Cd1 O8 C22 C23 -175.51(19) 1_544 .
C28 C23 C22 O7 12.0(4) . .
C24 C23 C22 O7 -168.1(3) . .
C28 C23 C22 O8 -168.5(3) . .
C24 C23 C22 O8 11.4(4) . .
Cd3 O1S C1S N1S 147.9(3) . .
Cd3 O1S C1S C2S -30.8(5) . .
C13 C14 C9 C10 2.3(5) . .
C13 C14 C9 C8 -177.7(3) . .
C11 C10 C9 C14 0.8(5) . .
C11 C10 C9 C8 -179.3(3) . .
O3 C8 C9 C14 139.9(3) . .
O4 C8 C9 C14 -40.3(4) . .
O3 C8 C9 C10 -40.1(4) . .
O4 C8 C9 C10 139.8(3) . .
C23 C28 C27 C26 0.5(5) . .
C25 C26 C27 C28 0.3(4) . .
Si1 C26 C27 C28 -180.0(2) . .
C9 C14 C13 C12 -3.1(5) . .
C11 C12 C13 C14 0.7(5) . .
Si1 C12 C13 C14 -177.9(3) . .
C18 C17 C16 C21 1.2(5) . .
C18 C17 C16 C15 -179.1(3) . .
O6 C15 C16 C21 -4.0(5) . .
O5 C15 C16 C21 175.8(3) . .
Cd1 C15 C16 C21 -139(27) 1_554 .
O6 C15 C16 C17 176.3(3) . .
O5 C15 C16 C17 -3.9(5) . .
Cd1 C15 C16 C17 41(28) 1_554 .
Cd3 O13 C5S N2S 167.93(18) . .
Cd3 O13 C5S C6S -15.7(4) . .
C9S N2S C5S O13 -3.2(4) . .
C8S N2S C5S O13 177.0(3) . .
C9S N2S C5S C6S 179.9(3) . .
C8S N2S C5S C6S 0.1(5) . .
C19 C20 C21 C16 -0.1(5) . .
C17 C16 C21 C20 -1.0(5) . .
C15 C16 C21 C20 179.4(3) . .
C7 C2 C3 C4 0.6(5) . .
C1 C2 C3 C4 -177.8(3) . .
O1S C1S N1S C4S 171.7(3) . .
C2S C1S N1S C4S -9.6(5) . .
O1S C1S N1S C3S -6.5(5) . .
C2S C1S N1S C3S 172.2(3) . .
C2 C3 C4 C5 1.2(5) . .
C6 C5 C4 C3 -1.4(5) . .
Si1 C5 C4 C3 175.7(3) . .
O13 C5S C6S C7S -176.8(3) . .
N2S C5S C6S C7S 0.06(2) . .
C16 C17 C18 C19 -0.4(5) . .
C20 C19 C18 C17 -0.6(5) . .
Si1 C19 C18 C17 170.9(2) . .
C9 C10 C11 C12 -3.2(5) . .
C13 C12 C11 C10 2.4(5) . .
Si1 C12 C11 C10 -178.9(2) . .
C5S C6S C7S C8S -0.1(5) . .
C5S N2S C8S C7S -0.1(5) . .
C9S N2S C8S C7S -180.0(3) . .
C6S C7S C8S N2S 0.1(5) . .
C13S N11S C11S O11S 0.4(17) . .
C14S N11S C11S O11S 172.7(9) . .
C13S N11S C11S C12S -174.3(12) . .
C14S N11S C11S C12S -2.0(10) . .
C24S N21S C21S O21S -178.4(9) . .
C23S N21S C21S O21S -5.8(13) . .
C24S N21S C21S C22S 6.5(17) . .
C23S N21S C21S C22S 179.2(12) . .
