#------------------------------------------------------------------------------
#$Date: 2021-09-06 11:53:07 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268496 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/87/7128778.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_7128778
loop_
_publ_author_name
'Hartmann, Deborah'
'Braner, Sven'
'Greb, Lutz'
_publ_section_title
;
 Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden
 frustrated Lewis pairs resulting from ring strain.
;
_journal_issue                   69
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8572
_journal_page_last               8575
_journal_paper_doi               10.1039/d1cc03452a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         '2(C15 H8 Cl4 N0.5 O2 P0.5 Si0.5)'
_chemical_formula_sum            'C30 H16 Cl8 N O4 P Si'
_chemical_formula_weight         797.10
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-02-24
_audit_creation_method
;
FinalCif V85 by Daniel Kratzert, Freiburg 2021,
https://github.com/dkratzert/FinalCif
;
_audit_update_record
;
2021-06-28 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.803(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.136(4)
_cell_length_b                   12.559(2)
_cell_length_c                   24.311(4)
_cell_measurement_reflns_used    8901
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      23.35
_cell_measurement_theta_min      2.29
_cell_volume                     6359.6(19)
_computing_cell_refinement       'SAINT V8.38A (2016)'
_computing_data_reduction        'SAINT V8.38A (2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.846
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_av_unetI/netI     0.0337
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.846
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            115559
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.846
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.038
_diffrn_reflns_theta_min         1.861
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.836
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1584 before and 0.0842 after correction.
The Ratio of minimum to maximum transmission is 0.9102.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_description       block
_exptl_crystal_F_000             3200
_exptl_crystal_size_max          0.116
_exptl_crystal_size_mid          0.086
_exptl_crystal_size_min          0.074
_refine_diff_density_max         0.782
_refine_diff_density_min         -0.895
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     811
_refine_ls_number_reflns         13044
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.1255
_refine_ls_R_factor_gt           0.0956
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+111.0829P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1757
_refine_ls_wR_factor_ref         0.1971
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10400
_reflns_number_total             13044
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc03452a2.cif
_cod_data_source_block           mo_dh301_0ma
_cod_depositor_comments
'Adding full bibliography for 7128765--7128778.cif.'
_cod_original_cell_volume        6360.0(19)
_cod_database_code               7128778
_shelx_shelxl_version_number     2018/3
_olex2_date_sample_data_collection 2019-12-05
_olex2_date_sample_submission    2019-12-05
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C01B(H01A,H01B), C01P(H01C,H01E)
2.b Aromatic/amide H refined with riding coordinates:
 C01D(H01D), C01F(H01F), C01J(H01J), C01K(H01K), C01M(H01M), C01S(H01S),
 C01U(H01U), C01V(H01V), C01X(H01X), C01Y(H01Y), C020(H020), C021(H021),
 C022(H022), C023(H023), C024(H024), C025(H025), C026(H026), C027(H027),
 C028(H028), C029(H029), C02B(H02B), C02C(H02C), C02D(H02D), C02E(H02E),
 C02F(H02F), C02G(H02G), C02H(H02H), C02I(H02I)
;
_olex2_submission_special_instructions 'No special instructions were received'
_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_min   0.909
_shelx_estimated_absorpt_t_max   0.941
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Cl01 Cl 0.40771(7) 0.91954(14) 0.49723(8) 0.0257(4) Uani 1 1 d . . . . .
Cl02 Cl 0.42584(8) 1.08081(14) 0.40265(8) 0.0254(3) Uani 1 1 d . . . . .
Cl03 Cl -0.08998(7) 0.40324(14) 0.49225(8) 0.0264(4) Uani 1 1 d . . . . .
Cl04 Cl -0.07931(8) 0.57000(14) 0.39502(8) 0.0268(4) Uani 1 1 d . . . . .
Cl05 Cl -0.02074(8) 0.18446(14) 0.51435(8) 0.0291(4) Uani 1 1 d . . . . .
Cl06 Cl 0.45483(8) 0.68400(14) 0.50552(8) 0.0271(4) Uani 1 1 d . . . . .
Cl07 Cl 0.53297(8) 0.62126(14) 0.43112(9) 0.0285(4) Uani 1 1 d . . . . .
Cl08 Cl 0.05780(9) 0.13535(14) 0.43870(9) 0.0307(4) Uani 1 1 d . . . . .
Cl09 Cl 0.75269(8) 1.00182(16) 0.48729(8) 0.0307(4) Uani 1 1 d . . . . .
Cl0A Cl 0.08963(8) 0.73769(14) 0.20767(8) 0.0282(4) Uani 1 1 d . . . . .
Cl0B Cl 0.60468(8) 1.21347(15) 0.21920(8) 0.0286(4) Uani 1 1 d . . . . .
P00C P 0.60860(8) 0.81489(14) 0.27562(8) 0.0216(4) Uani 1 1 d . . . . .
Cl0D Cl 0.20847(9) 0.86335(15) 0.29701(9) 0.0336(4) Uani 1 1 d . . . . .
P00E P 0.12226(8) 0.32933(15) 0.28044(9) 0.0235(4) Uani 1 1 d . . . . .
Cl0F Cl 0.24810(9) 0.57525(16) 0.48627(9) 0.0368(4) Uani 1 1 d . . . . .
Cl0G Cl 0.81192(8) 1.18942(17) 0.44140(9) 0.0353(4) Uani 1 1 d . . . . .
Cl0H Cl 0.29064(8) 0.77697(16) 0.43467(10) 0.0371(4) Uani 1 1 d . . . . .
Si Si 0.55581(8) 0.92532(15) 0.32079(9) 0.0195(4) Uani 1 1 d . . . . .
Si1 Si 0.06337(8) 0.44092(15) 0.32084(9) 0.0206(4) Uani 1 1 d . . . . .
Cl0K Cl 0.73839(9) 1.29183(18) 0.30703(10) 0.0427(5) Uani 1 1 d . . . . .
O00L O 0.0635(2) 0.3230(4) 0.3609(2) 0.0231(10) Uani 1 1 d . . . . .
O00M O 0.0647(2) 0.5523(4) 0.2768(2) 0.0212(10) Uani 1 1 d . . . . .
O00N O 0.5054(2) 0.9893(4) 0.3445(2) 0.0217(10) Uani 1 1 d . . . . .
O00O O 0.6235(2) 0.9548(4) 0.3896(2) 0.0226(10) Uani 1 1 d . . . . .
O00P O 0.5474(2) 0.8056(4) 0.3553(2) 0.0225(10) Uani 1 1 d . . . . .
O00Q O 0.0088(2) 0.4958(4) 0.3420(2) 0.0232(10) Uani 1 1 d . . . . .
O00R O 0.5644(2) 1.0371(4) 0.2816(2) 0.0229(10) Uani 1 1 d . . . . .
O00S O 0.1286(2) 0.4862(4) 0.3872(2) 0.0252(10) Uani 1 1 d . . . . .
N00T N 0.4860(2) 0.8858(5) 0.2358(3) 0.0223(12) Uani 1 1 d . . . . .
N00U N -0.0013(3) 0.3868(4) 0.2380(3) 0.0222(12) Uani 1 1 d . . . . .
C00V C 0.4876(3) 0.7990(5) 0.2012(3) 0.0199(13) Uani 1 1 d . . . . .
C00W C 0.4907(3) 0.9246(5) 0.3821(3) 0.0204(13) Uani 1 1 d . . . . .
C00X C -0.0014(3) 0.4306(5) 0.3827(3) 0.0202(13) Uani 1 1 d . . . . .
C00Y C 0.6212(3) 1.0792(5) 0.3153(3) 0.0195(13) Uani 1 1 d . . . . .
C00Z C -0.0452(3) 0.3747(5) 0.4530(3) 0.0201(13) Uani 1 1 d . . . . .
C010 C 0.1348(3) 0.3696(5) 0.2116(3) 0.0231(14) Uani 1 1 d . . . . .
C011 C 0.4454(3) 0.8796(5) 0.4522(3) 0.0216(14) Uani 1 1 d . . . . .
C012 C 0.0296(3) 0.3333(5) 0.3939(3) 0.0200(13) Uani 1 1 d . . . . .
C013 C 0.6537(3) 1.0341(5) 0.3748(3) 0.0194(13) Uani 1 1 d . . . . .
C014 C 0.0044(3) 0.2957(5) 0.2097(3) 0.0230(14) Uani 1 1 d . . . . .
C015 C 0.5142(3) 0.8228(6) 0.3883(3) 0.0222(14) Uani 1 1 d . . . . .
C016 C 0.4682(3) 0.7763(6) 0.4584(3) 0.0231(14) Uani 1 1 d . . . . .
C017 C 0.4554(3) 0.9534(5) 0.4136(3) 0.0212(14) Uani 1 1 d . . . . .
C018 C 0.5035(3) 0.7474(5) 0.4263(3) 0.0216(14) Uani 1 1 d . . . . .
C019 C -0.0393(3) 0.4517(6) 0.4117(3) 0.0233(14) Uani 1 1 d . . . . .
C01A C -0.0142(3) 0.2786(6) 0.4634(3) 0.0250(15) Uani 1 1 d . . . . .
C01B C 0.5438(3) 0.7309(5) 0.2303(3) 0.0218(14) Uani 1 1 d . . . . .
H01A H 0.553086 0.694061 0.199011 0.026 Uiso 1 1 calc R U . . .
H01B H 0.536404 0.676645 0.256048 0.026 Uiso 1 1 calc R U . . .
C01C C 0.1348(3) 0.6956(6) 0.2841(3) 0.0236(14) Uani 1 1 d . . . . .
C01D C 0.4357(3) 0.9483(5) 0.2106(3) 0.0215(14) Uani 1 1 d . . . . .
H01D H 0.432361 1.009067 0.232319 0.026 Uiso 1 1 calc R U . . .
C01E C 0.1165(3) 0.6096(5) 0.3087(3) 0.0219(14) Uani 1 1 d . . . . .
C01F C 0.4402(3) 0.7744(6) 0.1426(3) 0.0237(14) Uani 1 1 d . . . . .
H01F H 0.444228 0.714040 0.120967 0.028 Uiso 1 1 calc R U . . .
C01G C 0.7136(3) 1.0663(6) 0.4154(3) 0.0251(15) Uani 1 1 d . . . . .
C01H C 0.6314(3) 0.8797(6) 0.2200(3) 0.0236(14) Uani 1 1 d . . . . .
C01I C 0.6698(3) 0.7261(5) 0.3238(3) 0.0232(14) Uani 1 1 d . . . . .
C01J C 0.3893(3) 0.8382(6) 0.1182(3) 0.0251(15) Uani 1 1 d . . . . .
H01J H 0.355620 0.824206 0.078863 0.030 Uiso 1 1 calc R U . . .
C01K C -0.0893(3) 0.3295(6) 0.1168(3) 0.0260(15) Uani 1 1 d . . . . .
H01K H -0.118892 0.312207 0.076189 0.031 Uiso 1 1 calc R U . . .
C01L C 0.0231(3) 0.2569(6) 0.4329(3) 0.0213(13) Uani 1 1 d . . . . .
C01M C -0.0386(3) 0.2666(6) 0.1498(3) 0.0244(14) Uani 1 1 d . . . . .
H01M H -0.031963 0.202535 0.132502 0.029 Uiso 1 1 calc R U . . .
C01N C 0.6467(3) 1.1588(6) 0.2938(3) 0.0247(15) Uani 1 1 d . . . . .
C01O C 0.2239(3) 0.7131(6) 0.3862(3) 0.0253(15) Uani 1 1 d . . . . .
C01P C 0.0613(3) 0.2309(5) 0.2467(3) 0.0226(14) Uani 1 1 d . . . . .
H01C H 0.071936 0.181293 0.220812 0.027 Uiso 1 1 calc R U . . .
H01E H 0.054681 0.189819 0.278225 0.027 Uiso 1 1 calc R U . . .
C01Q C 0.7064(3) 1.1939(6) 0.3341(3) 0.0267(15) Uani 1 1 d . . . . .
C01R C 0.1516(3) 0.5723(5) 0.3711(3) 0.0222(14) Uani 1 1 d . . . . .
C01S C -0.0956(3) 0.4214(6) 0.1458(3) 0.0258(15) Uani 1 1 d . . . . .
H01S H -0.130609 0.467848 0.124205 0.031 Uiso 1 1 calc R U . . .
C01T C 0.1886(3) 0.7498(6) 0.3245(4) 0.0267(15) Uani 1 1 d . . . . .
C01U C 0.7023(3) 0.9991(6) 0.2046(4) 0.0279(15) Uani 1 1 d . . . . .
H01U H 0.741336 1.038257 0.221894 0.033 Uiso 1 1 calc R U . . .
C01V C 0.6929(3) 0.7250(6) 0.3912(4) 0.0287(16) Uani 1 1 d . . . . .
H01V H 0.674435 0.772361 0.409600 0.034 Uiso 1 1 calc R U . . .
C01W C 0.1907(3) 0.2642(6) 0.3378(3) 0.0274(15) Uani 1 1 d . . . . .
C01X C 0.1683(3) 0.3047(6) 0.1900(4) 0.0319(17) Uani 1 1 d . . . . .
H01X H 0.187010 0.240681 0.210956 0.038 Uiso 1 1 calc R U . . .
C01Y C 0.5937(3) 0.8858(6) 0.1547(4) 0.0294(16) Uani 1 1 d . . . . .
H01Y H 0.555971 0.843550 0.136990 0.035 Uiso 1 1 calc R U . . .
C01Z C 0.7385(3) 1.1473(6) 0.3935(3) 0.0266(15) Uani 1 1 d . . . . .
C020 C 0.1752(4) 0.3338(7) 0.1348(4) 0.0351(18) Uani 1 1 d . . . . .
H020 H 0.197863 0.287322 0.120247 0.042 Uiso 1 1 calc R U . . .
C021 C 0.6931(3) 0.6563(6) 0.2931(4) 0.0288(16) Uani 1 1 d . . . . .
H021 H 0.677269 0.656266 0.249908 0.035 Uiso 1 1 calc R U . . .
C022 C 0.1085(4) 0.4616(6) 0.1787(4) 0.0323(17) Uani 1 1 d . . . . .
H022 H 0.084565 0.507306 0.192227 0.039 Uiso 1 1 calc R U . . .
C023 C 0.1498(3) 0.4268(7) 0.1033(4) 0.0327(17) Uani 1 1 d . . . . .
H023 H 0.155431 0.445818 0.068119 0.039 Uiso 1 1 calc R U . . .
C024 C -0.0516(3) 0.4485(6) 0.2066(4) 0.0269(15) Uani 1 1 d . . . . .
H024 H -0.058351 0.511199 0.224923 0.032 Uiso 1 1 calc R U . . .
C025 C 0.3870(3) 0.9274(6) 0.1525(3) 0.0275(15) Uani 1 1 d . . . . .
H025 H 0.351357 0.974421 0.135688 0.033 Uiso 1 1 calc R U . . .
C026 C 0.6859(3) 0.9373(6) 0.2441(4) 0.0295(16) Uani 1 1 d . . . . .
H026 H 0.712718 0.936246 0.286842 0.035 Uiso 1 1 calc R U . . .
C027 C 0.6633(3) 1.0064(6) 0.1392(4) 0.0305(17) Uani 1 1 d . . . . .
H027 H 0.676111 1.049821 0.114444 0.037 Uiso 1 1 calc R U . . .
C028 C 0.7629(3) 0.5848(6) 0.3962(4) 0.0333(18) Uani 1 1 d . . . . .
H028 H 0.793693 0.532790 0.419313 0.040 Uiso 1 1 calc R U . . .
C029 C 0.7405(3) 0.6563(6) 0.4270(4) 0.0323(17) Uani 1 1 d . . . . .
H029 H 0.757361 0.656979 0.470324 0.039 Uiso 1 1 calc R U . . .
C02A C 0.2059(3) 0.6232(6) 0.4098(3) 0.0265(15) Uani 1 1 d . . . . .
C02B C 0.2007(4) 0.1555(6) 0.3384(4) 0.0325(17) Uani 1 1 d . . . . .
H02B H 0.169707 0.111346 0.308217 0.039 Uiso 1 1 calc R U . . .
C02C C 0.7406(3) 0.5875(6) 0.3302(4) 0.0337(18) Uani 1 1 d . . . . .
H02C H 0.759439 0.540235 0.312103 0.040 Uiso 1 1 calc R U . . .
C02D C 0.2983(3) 0.1751(7) 0.4279(4) 0.0335(17) Uani 1 1 d . . . . .
H02D H 0.334720 0.143245 0.459779 0.040 Uiso 1 1 calc R U . . .
C02E C 0.2357(3) 0.3284(6) 0.3829(4) 0.0316(17) Uani 1 1 d . . . . .
H02E H 0.228805 0.403002 0.382322 0.038 Uiso 1 1 calc R U . . .
C02F C 0.6091(4) 0.9507(7) 0.1150(4) 0.0335(17) Uani 1 1 d . . . . .
H02F H 0.581557 0.954023 0.072482 0.040 Uiso 1 1 calc R U . . .
C02G C 0.2899(3) 0.2845(7) 0.4282(4) 0.0357(18) Uani 1 1 d . . . . .
H02G H 0.320889 0.327955 0.458947 0.043 Uiso 1 1 calc R U . . .
C02H C 0.1159(4) 0.4909(7) 0.1248(4) 0.0374(19) Uani 1 1 d . . . . .
H02H H 0.097205 0.555027 0.103886 0.045 Uiso 1 1 calc R U . . .
C02I C 0.2550(4) 0.1117(7) 0.3825(4) 0.0376(19) Uani 1 1 d . . . . .
H02I H 0.263002 0.037662 0.381825 0.045 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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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
C01B P00C Si 99.6(2) . . ?
C01B P00C C01H 104.0(3) . . ?
C01B P00C C01I 104.6(3) . . ?
C01H P00C Si 116.4(2) . . ?
C01I P00C Si 118.5(3) . . ?
C01I P00C C01H 111.0(3) . . ?
C010 P00E Si1 122.1(2) . . ?
C01P P00E Si1 96.6(2) . . ?
C01P P00E C010 100.0(3) . . ?
C01P P00E C01W 107.2(3) . . ?
C01W P00E Si1 114.1(3) . . ?
C01W P00E C010 112.8(3) . . ?
O00N Si P00C 168.81(19) . . ?
O00N Si O00O 92.1(2) . . ?
O00N Si O00P 90.4(2) . . ?
O00N Si O00R 93.6(2) . . ?
O00N Si N00T 95.7(2) . . ?
O00O Si P00C 97.85(17) . . ?
O00O Si O00P 87.9(2) . . ?
O00O Si N00T 172.0(2) . . ?
O00P Si P00C 84.84(16) . . ?
O00P Si N00T 94.1(2) . . ?
O00R Si P00C 90.75(17) . . ?
O00R Si O00O 94.8(2) . . ?
O00R Si O00P 175.1(2) . . ?
O00R Si N00T 82.7(2) . . ?
N00T Si P00C 74.62(16) . . ?
O00L Si1 P00E 82.75(16) . . ?
O00L Si1 N00U 95.1(2) . . ?
O00M Si1 P00E 92.89(17) . . ?
O00M Si1 O00L 175.4(2) . . ?
O00M Si1 N00U 82.2(2) . . ?
O00Q Si1 P00E 166.38(19) . . ?
O00Q Si1 O00L 89.8(2) . . ?
O00Q Si1 O00M 94.2(2) . . ?
O00Q Si1 O00S 92.6(2) . . ?
O00Q Si1 N00U 96.4(2) . . ?
O00S Si1 P00E 98.55(18) . . ?
O00S Si1 O00L 88.3(2) . . ?
O00S Si1 O00M 93.7(2) . . ?
O00S Si1 N00U 170.4(2) . . ?
N00U Si1 P00E 73.06(17) . . ?
C012 O00L Si1 112.6(4) . . ?
C01E O00M Si1 109.0(4) . . ?
C00W O00N Si 110.5(4) . . ?
C013 O00O Si 104.5(4) . . ?
C015 O00P Si 110.8(4) . . ?
C00X O00Q Si1 110.9(4) . . ?
C00Y O00R Si 107.6(4) . . ?
C01R O00S Si1 106.6(4) . . ?
C00V N00T Si 125.7(4) . . ?
C01D N00T Si 118.3(5) . . ?
C01D N00T C00V 116.0(6) . . ?
C014 N00U Si1 125.8(5) . . ?
C024 N00U Si1 117.2(5) . . ?
C024 N00U C014 116.8(6) . . ?
N00T C00V C01B 114.9(6) . . ?
N00T C00V C01F 125.0(6) . . ?
C01F C00V C01B 120.2(6) . . ?
O00N C00W C015 115.0(6) . . ?
O00N C00W C017 126.2(6) . . ?
C015 C00W C017 118.8(6) . . ?
O00Q C00X C012 115.4(5) . . ?
C019 C00X O00Q 127.0(6) . . ?
C019 C00X C012 117.6(6) . . ?
O00R C00Y C013 114.4(6) . . ?
O00R C00Y C01N 122.2(6) . . ?
C01N C00Y C013 123.4(6) . . ?
C019 C00Z Cl03 120.4(5) . . ?
C01A C00Z Cl03 118.2(5) . . ?
C01A C00Z C019 121.3(6) . . ?
C01X C010 P00E 120.6(6) . . ?
C01X C010 C022 116.9(7) . . ?
C022 C010 P00E 122.4(5) . . ?
C016 C011 Cl01 118.3(5) . . ?
C016 C011 C017 121.5(6) . . ?
C017 C011 Cl01 120.1(5) . . ?
O00L C012 C00X 110.7(6) . . ?
O00L C012 C01L 126.7(6) . . ?
C00X C012 C01L 122.6(6) . . ?
O00O C013 C00Y 117.2(6) . . ?
O00O C013 C01G 120.3(6) . . ?
C01G C013 C00Y 122.5(6) . . ?
N00U C014 C01M 123.8(6) . . ?
N00U C014 C01P 114.2(6) . . ?
C01M C014 C01P 121.9(6) . . ?
O00P C015 C00W 112.7(6) . . ?
O00P C015 C018 125.9(6) . . ?
C00W C015 C018 121.4(6) . . ?
C011 C016 Cl06 121.5(5) . . ?
C011 C016 C018 118.1(6) . . ?
C018 C016 Cl06 120.3(6) . . ?
C00W C017 Cl02 116.6(5) . . ?
C00W C017 C011 120.2(6) . . ?
C011 C017 Cl02 123.2(5) . . ?
C015 C018 Cl07 119.1(5) . . ?
C016 C018 Cl07 121.0(5) . . ?
C016 C018 C015 119.9(6) . . ?
C00X C019 Cl04 116.7(5) . . ?
C00X C019 C00Z 120.3(6) . . ?
C00Z C019 Cl04 123.0(5) . . ?
C00Z C01A Cl05 121.5(5) . . ?
C00Z C01A C01L 118.1(6) . . ?
C01L C01A Cl05 120.4(6) . . ?
P00C C01B H01A 110.4 . . ?
P00C C01B H01B 110.4 . . ?
C00V C01B P00C 106.7(5) . . ?
C00V C01B H01A 110.4 . . ?
C00V C01B H01B 110.4 . . ?
H01A C01B H01B 108.6 . . ?
C01E C01C Cl0A 122.3(5) . . ?
C01T C01C Cl0A 122.3(6) . . ?
C01T C01C C01E 115.3(7) . . ?
N00T C01D H01D 119.3 . . ?
N00T C01D C025 121.4(6) . . ?
C025 C01D H01D 119.3 . . ?
O00M C01E C01C 122.6(6) . . ?
O00M C01E C01R 113.0(6) . . ?
C01C C01E C01R 124.4(6) . . ?
C00V C01F H01F 121.0 . . ?
C01J C01F C00V 118.0(6) . . ?
C01J C01F H01F 121.0 . . ?
C013 C01G Cl09 119.9(5) . . ?
C013 C01G C01Z 113.6(7) . . ?
C01Z C01G Cl09 126.5(5) . . ?
C01Y C01H P00C 127.1(5) . . ?
C026 C01H P00C 115.5(6) . . ?
C026 C01H C01Y 116.9(7) . . ?
C01V C01I P00C 122.1(5) . . ?
C021 C01I P00C 114.9(5) . . ?
C021 C01I C01V 123.0(6) . . ?
C01F C01J H01J 121.1 . . ?
C01F C01J C025 117.9(6) . . ?
C025 C01J H01J 121.1 . . ?
C01M C01K H01K 122.0 . . ?
C01M C01K C01S 116.1(6) . . ?
C01S C01K H01K 122.0 . . ?
C012 C01L Cl08 119.0(5) . . ?
C01A C01L Cl08 120.8(6) . . ?
C01A C01L C012 120.1(6) . . ?
C014 C01M H01M 119.9 . . ?
C01K C01M C014 120.1(7) . . ?
C01K C01M H01M 119.9 . . ?
C00Y C01N Cl0B 122.2(5) . . ?
C01Q C01N Cl0B 122.6(6) . . ?
C01Q C01N C00Y 115.3(7) . . ?
C01T C01O Cl0H 120.7(5) . . ?
C02A C01O Cl0H 116.1(6) . . ?
C02A C01O C01T 123.3(6) . . ?
P00E C01P H01C 111.3 . . ?
P00E C01P H01E 111.3 . . ?
C014 C01P P00E 102.4(5) . . ?
C014 C01P H01C 111.3 . . ?
C014 C01P H01E 111.3 . . ?
H01C C01P H01E 109.2 . . ?
C01N C01Q Cl0K 115.2(6) . . ?
C01N C01Q C01Z 120.7(6) . . ?
C01Z C01Q Cl0K 124.1(5) . . ?
O00S C01R C01E 116.9(6) . . ?
O00S C01R C02A 123.1(7) . . ?
C02A C01R C01E 120.0(6) . . ?
C01K C01S H01S 118.7 . . ?
C01K C01S C024 122.6(6) . . ?
C024 C01S H01S 118.7 . . ?
C01C C01T Cl0D 116.3(6) . . ?
C01C C01T C01O 120.6(6) . . ?
C01O C01T Cl0D 123.0(5) . . ?
C026 C01U H01U 118.0 . . ?
C026 C01U C027 123.9(6) . . ?
C027 C01U H01U 118.0 . . ?
C01I C01V H01V 119.7 . . ?
C029 C01V C01I 120.6(7) . . ?
C029 C01V H01V 119.7 . . ?
C02B C01W P00E 123.2(6) . . ?
C02B C01W C02E 119.8(7) . . ?
C02E C01W P00E 117.0(6) . . ?
C010 C01X H01X 119.8 . . ?
C010 C01X C020 120.4(7) . . ?
C020 C01X H01X 119.8 . . ?
C01H C01Y H01Y 117.7 . . ?
C02F C01Y C01H 124.6(7) . . ?
C02F C01Y H01Y 117.7 . . ?
C01G C01Z Cl0G 115.5(6) . . ?
C01G C01Z C01Q 124.6(6) . . ?
C01Q C01Z Cl0G 119.9(5) . . ?
C01X C020 H020 119.0 . . ?
C023 C020 C01X 122.0(7) . . ?
C023 C020 H020 119.0 . . ?
C01I C021 H021 122.4 . . ?
C02C C021 C01I 115.1(7) . . ?
C02C C021 H021 122.4 . . ?
C010 C022 H022 118.6 . . ?
C010 C022 C02H 122.8(7) . . ?
C02H C022 H022 118.6 . . ?
C020 C023 H023 121.3 . . ?
C02H C023 C020 117.4(7) . . ?
C02H C023 H023 121.3 . . ?
N00U C024 C01S 120.6(7) . . ?
N00U C024 H024 119.7 . . ?
C01S C024 H024 119.7 . . ?
C01D C025 C01J 121.8(6) . . ?
C01D C025 H025 119.1 . . ?
C01J C025 H025 119.1 . . ?
C01H C026 C01U 118.6(7) . . ?
C01H C026 H026 120.7 . . ?
C01U C026 H026 120.7 . . ?
C01U C027 H027 121.0 . . ?
C02F C027 C01U 118.0(7) . . ?
C02F C027 H027 121.0 . . ?
C029 C028 H028 118.7 . . ?
C029 C028 C02C 122.5(7) . . ?
C02C C028 H028 118.7 . . ?
C01V C029 C028 116.3(7) . . ?
C01V C029 H029 121.8 . . ?
C028 C029 H029 121.8 . . ?
C01O C02A Cl0F 124.7(5) . . ?
C01R C02A Cl0F 118.9(6) . . ?
C01R C02A C01O 116.3(7) . . ?
C01W C02B H02B 120.0 . . ?
C02I C02B C01W 120.0(8) . . ?
C02I C02B H02B 120.0 . . ?
C021 C02C C028 122.2(7) . . ?
C021 C02C H02C 118.9 . . ?
C028 C02C H02C 118.9 . . ?
C02G C02D H02D 119.2 . . ?
C02I C02D H02D 119.2 . . ?
C02I C02D C02G 121.5(8) . . ?
C01W C02E H02E 119.7 . . ?
C02G C02E C01W 120.6(7) . . ?
C02G C02E H02E 119.7 . . ?
C01Y C02F H02F 121.1 . . ?
C027 C02F C01Y 117.9(7) . . ?
C027 C02F H02F 121.1 . . ?
C02D C02G H02G 120.9 . . ?
C02E C02G C02D 118.2(8) . . ?
C02E C02G H02G 120.9 . . ?
C022 C02H H02H 119.7 . . ?
C023 C02H C022 120.6(8) . . ?
C023 C02H H02H 119.7 . . ?
C02B C02I C02D 119.8(8) . . ?
C02B C02I H02I 120.1 . . ?
C02D C02I H02I 120.1 . . ?
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
Cl01 C011 1.743(6) . ?
Cl02 C017 1.715(7) . ?
Cl03 C00Z 1.724(6) . ?
Cl04 C019 1.703(7) . ?
Cl05 C01A 1.765(7) . ?
Cl06 C016 1.751(7) . ?
Cl07 C018 1.709(7) . ?
Cl08 C01L 1.702(7) . ?
Cl09 C01G 1.775(8) . ?
Cl0A C01C 1.770(7) . ?
Cl0B C01N 1.780(7) . ?
P00C Si 2.406(2) . ?
P00C C01B 1.771(7) . ?
P00C C01H 1.841(7) . ?
P00C C01I 1.783(7) . ?
Cl0D C01T 1.719(7) . ?
P00E Si1 2.439(3) . ?
P00E C010 1.888(7) . ?
P00E C01P 1.784(7) . ?
P00E C01W 1.788(7) . ?
Cl0F C02A 1.786(8) . ?
Cl0G C01Z 1.672(7) . ?
Cl0H C01O 1.683(7) . ?
Si O00N 1.709(5) . ?
Si O00O 1.763(5) . ?
Si O00P 1.774(5) . ?
Si O00R 1.755(5) . ?
Si N00T 2.053(6) . ?
Si1 O00L 1.772(5) . ?
Si1 O00M 1.770(5) . ?
Si1 O00Q 1.702(5) . ?
Si1 O00S 1.756(5) . ?
Si1 N00U 2.033(6) . ?
Cl0K C01Q 1.709(7) . ?
O00L C012 1.349(7) . ?
O00M C01E 1.321(8) . ?
O00N C00W 1.372(8) . ?
O00O C013 1.353(8) . ?
O00P C015 1.347(8) . ?
O00Q C00X 1.381(8) . ?
O00R C00Y 1.319(8) . ?
O00S C01R 1.336(8) . ?
N00T C00V 1.388(9) . ?
N00T C01D 1.315(8) . ?
N00U C014 1.371(9) . ?
N00U C024 1.328(9) . ?
C00V C01B 1.456(9) . ?
C00V C01F 1.403(9) . ?
C00W C015 1.372(10) . ?
C00W C017 1.389(9) . ?
C00X C012 1.382(9) . ?
C00X C019 1.371(9) . ?
C00Y C013 1.426(9) . ?
C00Y C01N 1.375(9) . ?
C00Z C019 1.442(9) . ?
C00Z C01A 1.369(10) . ?
C010 C01X 1.376(9) . ?
C010 C022 1.387(10) . ?
C011 C016 1.384(10) . ?
C011 C017 1.407(10) . ?
C012 C01L 1.402(10) . ?
C013 C01G 1.367(9) . ?
C014 C01M 1.409(10) . ?
C014 C01P 1.473(9) . ?
C015 C018 1.418(9) . ?
C016 C018 1.399(9) . ?
C01A C01L 1.389(9) . ?
C01B H01A 0.9900 . ?
C01B H01B 0.9900 . ?
C01C C01E 1.388(9) . ?
C01C C01T 1.384(10) . ?
C01D H01D 0.9500 . ?
C01D C025 1.394(10) . ?
C01E C01R 1.452(10) . ?
C01F H01F 0.9500 . ?
C01F C01J 1.331(10) . ?
C01G C01Z 1.386(10) . ?
C01H C01Y 1.443(10) . ?
C01H C026 1.347(9) . ?
C01I C01V 1.486(10) . ?
C01I C021 1.401(10) . ?
C01J H01J 0.9500 . ?
C01J C025 1.413(10) . ?
C01K H01K 0.9500 . ?
C01K C01M 1.351(10) . ?
C01K C01S 1.393(10) . ?
C01M H01M 0.9500 . ?
C01N C01Q 1.372(9) . ?
C01O C01T 1.436(11) . ?
C01O C02A 1.410(10) . ?
C01P H01C 0.9900 . ?
C01P H01E 0.9900 . ?
C01Q C01Z 1.430(11) . ?
C01R C02A 1.358(9) . ?
C01S H01S 0.9500 . ?
C01S C024 1.423(10) . ?
C01U H01U 0.9500 . ?
C01U C026 1.410(10) . ?
C01U C027 1.450(11) . ?
C01V H01V 0.9500 . ?
C01V C029 1.372(10) . ?
C01W C02B 1.384(10) . ?
C01W C02E 1.394(10) . ?
C01X H01X 0.9500 . ?
C01X C020 1.465(11) . ?
C01Y H01Y 0.9500 . ?
C01Y C02F 1.422(10) . ?
C020 H020 0.9500 . ?
C020 C023 1.380(11) . ?
C021 H021 0.9500 . ?
C021 C02C 1.381(10) . ?
C022 H022 0.9500 . ?
C022 C02H 1.442(11) . ?
C023 H023 0.9500 . ?
C023 C02H 1.375(11) . ?
C024 H024 0.9500 . ?
C025 H025 0.9500 . ?
C026 H026 0.9500 . ?
C027 H027 0.9500 . ?
C027 C02F 1.329(10) . ?
C028 H028 0.9500 . ?
C028 C029 1.404(11) . ?
C028 C02C 1.457(12) . ?
C029 H029 0.9500 . ?
C02B H02B 0.9500 . ?
C02B C02I 1.362(10) . ?
C02C H02C 0.9500 . ?
C02D H02D 0.9500 . ?
C02D C02G 1.389(11) . ?
C02D C02I 1.376(11) . ?
C02E H02E 0.9500 . ?
C02E C02G 1.374(10) . ?
C02F H02F 0.9500 . ?
C02G H02G 0.9500 . ?
C02H H02H 0.9500 . ?
C02I H02I 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl01 C011 C016 Cl06 4.8(8) . . . . ?
Cl01 C011 C016 C018 -174.4(5) . . . . ?
Cl01 C011 C017 Cl02 -6.1(8) . . . . ?
Cl01 C011 C017 C00W 174.0(5) . . . . ?
Cl03 C00Z C019 Cl04 -4.5(8) . . . . ?
Cl03 C00Z C019 C00X 177.1(5) . . . . ?
Cl03 C00Z C01A Cl05 1.3(8) . . . . ?
Cl03 C00Z C01A C01L -178.5(5) . . . . ?
Cl05 C01A C01L Cl08 5.6(8) . . . . ?
Cl05 C01A C01L C012 -178.1(5) . . . . ?
Cl06 C016 C018 Cl07 1.2(8) . . . . ?
Cl06 C016 C018 C015 -179.9(5) . . . . ?
Cl09 C01G C01Z Cl0G -2.1(9) . . . . ?
Cl09 C01G C01Z C01Q 177.1(6) . . . . ?
Cl0A C01C C01E O00M 0.9(9) . . . . ?
Cl0A C01C C01E C01R -179.7(5) . . . . ?
Cl0A C01C C01T Cl0D 1.7(8) . . . . ?
Cl0A C01C C01T C01O 179.9(5) . . . . ?
Cl0B C01N C01Q Cl0K -1.5(8) . . . . ?
Cl0B C01N C01Q C01Z -179.7(5) . . . . ?
P00C Si O00N C00W 71.4(11) . . . . ?
P00C Si O00O C013 80.7(4) . . . . ?
P00C Si O00P C015 -177.1(4) . . . . ?
P00C Si O00R C00Y -86.6(4) . . . . ?
P00C C01H C01Y C02F 169.7(6) . . . . ?
P00C C01H C026 C01U -172.7(5) . . . . ?
P00C C01I C01V C029 -179.5(6) . . . . ?
P00C C01I C021 C02C 179.9(5) . . . . ?
P00E Si1 O00L C012 -176.0(4) . . . . ?
P00E Si1 O00M C01E -90.7(4) . . . . ?
P00E Si1 O00Q C00X 63.2(10) . . . . ?
P00E Si1 O00S C01R 86.5(4) . . . . ?
P00E C010 C01X C020 177.0(6) . . . . ?
P00E C010 C022 C02H -177.7(6) . . . . ?
P00E C01W C02B C02I 177.9(6) . . . . ?
P00E C01W C02E C02G -179.3(6) . . . . ?
Cl0H C01O C01T Cl0D -3.7(9) . . . . ?
Cl0H C01O C01T C01C 178.2(5) . . . . ?
Cl0H C01O C02A Cl0F 0.7(9) . . . . ?
Cl0H C01O C02A C01R 179.1(5) . . . . ?
Si P00C C01B C00V 43.2(5) . . . . ?
Si P00C C01H C01Y -91.6(6) . . . . ?
Si P00C C01H C026 80.4(6) . . . . ?
Si P00C C01I C01V -5.3(6) . . . . ?
Si P00C C01I C021 173.1(4) . . . . ?
Si O00N C00W C015 -5.2(7) . . . . ?
Si O00N C00W C017 174.3(5) . . . . ?
Si O00O C013 C00Y 7.9(6) . . . . ?
Si O00O C013 C01G -170.3(5) . . . . ?
Si O00P C015 C00W 5.7(7) . . . . ?
Si O00P C015 C018 -174.0(5) . . . . ?
Si O00R C00Y C013 -8.6(6) . . . . ?
Si O00R C00Y C01N 170.5(5) . . . . ?
Si N00T C00V C01B 1.7(8) . . . . ?
Si N00T C00V C01F -178.5(5) . . . . ?
Si N00T C01D C025 178.9(5) . . . . ?
Si1 P00E C010 C01X 180.0(5) . . . . ?
Si1 P00E C010 C022 -3.4(7) . . . . ?
Si1 P00E C01P C014 51.6(4) . . . . ?
Si1 P00E C01W C02B 126.9(6) . . . . ?
Si1 P00E C01W C02E -54.0(6) . . . . ?
Si1 O00L C012 C00X 6.0(7) . . . . ?
Si1 O00L C012 C01L -176.6(5) . . . . ?
Si1 O00M C01E C01C 172.7(5) . . . . ?
Si1 O00M C01E C01R -6.7(6) . . . . ?
Si1 O00Q C00X C012 -4.8(7) . . . . ?
Si1 O00Q C00X C019 176.2(6) . . . . ?
Si1 O00S C01R C01E 4.6(7) . . . . ?
Si1 O00S C01R C02A -174.0(6) . . . . ?
Si1 N00U C014 C01M -173.7(5) . . . . ?
Si1 N00U C014 C01P 4.5(8) . . . . ?
Si1 N00U C024 C01S 173.7(5) . . . . ?
Cl0K C01Q C01Z Cl0G 0.6(9) . . . . ?
Cl0K C01Q C01Z C01G -178.6(6) . . . . ?
O00L Si1 O00Q C00X 6.6(4) . . . . ?
O00L Si1 O00S C01R 168.9(4) . . . . ?
O00L C012 C01L Cl08 -2.7(9) . . . . ?
O00L C012 C01L C01A -179.2(6) . . . . ?
O00M Si1 O00Q C00X -175.6(4) . . . . ?
O00M Si1 O00S C01R -7.0(4) . . . . ?
O00M C01E C01R O00S 1.5(8) . . . . ?
O00M C01E C01R C02A -179.9(6) . . . . ?
O00N Si O00O C013 -104.5(4) . . . . ?
O00N Si O00P C015 -7.3(4) . . . . ?
O00N Si O00R C00Y 103.7(4) . . . . ?
O00N C00W C015 O00P -0.5(8) . . . . ?
O00N C00W C015 C018 179.2(6) . . . . ?
O00N C00W C017 Cl02 1.9(9) . . . . ?
O00N C00W C017 C011 -178.2(6) . . . . ?
O00O Si O00N C00W -81.1(4) . . . . ?
O00O Si O00P C015 84.8(4) . . . . ?
O00O Si O00R C00Y 11.3(4) . . . . ?
O00O C013 C01G Cl09 1.4(9) . . . . ?
O00O C013 C01G C01Z 179.2(6) . . . . ?
O00P Si O00N C00W 6.9(4) . . . . ?
O00P Si O00O C013 165.2(4) . . . . ?
O00P C015 C018 Cl07 -1.4(9) . . . . ?
O00P C015 C018 C016 179.7(6) . . . . ?
O00Q Si1 O00L C012 -7.4(4) . . . . ?
O00Q Si1 O00M C01E 101.0(4) . . . . ?
O00Q Si1 O00S C01R -101.4(4) . . . . ?
O00Q C00X C012 O00L -0.8(8) . . . . ?
O00Q C00X C012 C01L -178.4(6) . . . . ?
O00Q C00X C019 Cl04 1.3(9) . . . . ?
O00Q C00X C019 C00Z 179.8(6) . . . . ?
O00R Si O00N C00W -176.0(4) . . . . ?
O00R Si O00O C013 -10.7(4) . . . . ?
O00R C00Y C013 O00O 0.4(8) . . . . ?
O00R C00Y C013 C01G 178.5(6) . . . . ?
O00R C00Y C01N Cl0B 1.2(9) . . . . ?
O00R C00Y C01N C01Q -179.7(6) . . . . ?
O00S Si1 O00L C012 85.2(4) . . . . ?
O00S Si1 O00M C01E 8.1(4) . . . . ?
O00S Si1 O00Q C00X -81.7(4) . . . . ?
O00S C01R C02A Cl0F -1.3(10) . . . . ?
O00S C01R C02A C01O -179.8(6) . . . . ?
N00T Si O00N C00W 101.0(4) . . . . ?
N00T Si O00P C015 -103.0(4) . . . . ?
N00T Si O00R C00Y -161.0(4) . . . . ?
N00T C00V C01B P00C -33.1(7) . . . . ?
N00T C00V C01F C01J -0.6(10) . . . . ?
N00T C01D C025 C01J 0.1(11) . . . . ?
N00U Si1 O00L C012 -103.8(4) . . . . ?
N00U Si1 O00M C01E -163.1(4) . . . . ?
N00U Si1 O00Q C00X 101.8(4) . . . . ?
N00U C014 C01M C01K -0.3(10) . . . . ?
N00U C014 C01P P00E -41.5(6) . . . . ?
C00V N00T C01D C025 0.3(9) . . . . ?
C00V C01F C01J C025 1.0(10) . . . . ?
C00W C015 C018 Cl07 179.0(5) . . . . ?
C00W C015 C018 C016 0.0(10) . . . . ?
C00X C012 C01L Cl08 174.5(5) . . . . ?
C00X C012 C01L C01A -2.0(10) . . . . ?
C00Y C013 C01G Cl09 -176.7(5) . . . . ?
C00Y C013 C01G C01Z 1.1(9) . . . . ?
C00Y C01N C01Q Cl0K 179.3(5) . . . . ?
C00Y C01N C01Q C01Z 1.1(10) . . . . ?
C00Z C01A C01L Cl08 -174.7(5) . . . . ?
C00Z C01A C01L C012 1.7(10) . . . . ?
C010 P00E C01P C014 -72.7(5) . . . . ?
C010 P00E C01W C02B -88.0(7) . . . . ?
C010 P00E C01W C02E 91.1(6) . . . . ?
C010 C01X C020 C023 1.1(12) . . . . ?
C010 C022 C02H C023 0.4(13) . . . . ?
C011 C016 C018 Cl07 -179.6(5) . . . . ?
C011 C016 C018 C015 -0.7(9) . . . . ?
C012 C00X C019 Cl04 -177.7(5) . . . . ?
C012 C00X C019 C00Z 0.8(9) . . . . ?
C013 C00Y C01N Cl0B -179.8(5) . . . . ?
C013 C00Y C01N C01Q -0.6(10) . . . . ?
C013 C01G C01Z Cl0G -179.8(5) . . . . ?
C013 C01G C01Z C01Q -0.6(10) . . . . ?
C014 N00U C024 C01S -2.1(9) . . . . ?
C015 C00W C017 Cl02 -178.6(5) . . . . ?
C015 C00W C017 C011 1.3(9) . . . . ?
C016 C011 C017 Cl02 177.8(5) . . . . ?
C016 C011 C017 C00W -2.0(10) . . . . ?
C017 C00W C015 O00P -180.0(6) . . . . ?
C017 C00W C015 C018 -0.3(10) . . . . ?
C017 C011 C016 Cl06 -179.1(5) . . . . ?
C017 C011 C016 C018 1.7(10) . . . . ?
C019 C00X C012 O00L 178.2(6) . . . . ?
C019 C00X C012 C01L 0.6(10) . . . . ?
C019 C00Z C01A Cl05 179.5(5) . . . . ?
C019 C00Z C01A C01L -0.3(10) . . . . ?
C01A C00Z C019 Cl04 177.4(5) . . . . ?
C01A C00Z C019 C00X -1.0(10) . . . . ?
C01B P00C C01H C01Y 16.8(7) . . . . ?
C01B P00C C01H C026 -171.2(5) . . . . ?
C01B P00C C01I C01V -115.0(6) . . . . ?
C01B P00C C01I C021 63.4(6) . . . . ?
C01B C00V C01F C01J 179.2(6) . . . . ?
C01C C01E C01R O00S -178.0(6) . . . . ?
C01C C01E C01R C02A 0.7(10) . . . . ?
C01D N00T C00V C01B -179.8(6) . . . . ?
C01D N00T C00V C01F 0.0(9) . . . . ?
C01E C01C C01T Cl0D -174.7(5) . . . . ?
C01E C01C C01T C01O 3.5(10) . . . . ?
C01E C01R C02A Cl0F -179.9(5) . . . . ?
C01E C01R C02A C01O 1.6(10) . . . . ?
C01F C00V C01B P00C 147.0(5) . . . . ?
C01F C01J C025 C01D -0.8(10) . . . . ?
C01H P00C C01B C00V -77.2(5) . . . . ?
C01H P00C C01I C01V 133.4(5) . . . . ?
C01H P00C C01I C021 -48.2(6) . . . . ?
C01H C01Y C02F C027 2.8(12) . . . . ?
C01I P00C C01B C00V 166.2(5) . . . . ?
C01I P00C C01H C01Y 128.8(6) . . . . ?
C01I P00C C01H C026 -59.2(6) . . . . ?
C01I C01V C029 C028 -3.4(10) . . . . ?
C01I C021 C02C C028 2.5(10) . . . . ?
C01K C01S C024 N00U 1.3(10) . . . . ?
C01M C014 C01P P00E 136.7(6) . . . . ?
C01M C01K C01S C024 0.0(10) . . . . ?
C01N C00Y C013 O00O -178.7(6) . . . . ?
C01N C00Y C013 C01G -0.6(10) . . . . ?
C01N C01Q C01Z Cl0G 178.6(6) . . . . ?
C01N C01Q C01Z C01G -0.5(11) . . . . ?
C01P P00E C010 C01X -75.6(6) . . . . ?
C01P P00E C010 C022 101.0(6) . . . . ?
C01P P00E C01W C02B 21.2(7) . . . . ?
C01P P00E C01W C02E -159.7(6) . . . . ?
C01P C014 C01M C01K -178.3(6) . . . . ?
C01S C01K C01M C014 -0.5(10) . . . . ?
C01T C01C C01E O00M 177.3(6) . . . . ?
C01T C01C C01E C01R -3.3(10) . . . . ?
C01T C01O C02A Cl0F -179.7(5) . . . . ?
C01T C01O C02A C01R -1.3(10) . . . . ?
C01U C027 C02F C01Y -1.2(11) . . . . ?
C01V C01I C021 C02C -1.7(10) . . . . ?
C01W P00E C010 C01X 38.0(7) . . . . ?
C01W P00E C010 C022 -145.4(6) . . . . ?
C01W P00E C01P C014 169.4(4) . . . . ?
C01W C02B C02I C02D 3.2(12) . . . . ?
C01W C02E C02G C02D -0.4(12) . . . . ?
C01X C010 C022 C02H -0.9(11) . . . . ?
C01X C020 C023 C02H -1.6(12) . . . . ?
C01Y C01H C026 C01U 0.2(10) . . . . ?
C020 C023 C02H C022 0.9(12) . . . . ?
C021 C01I C01V C029 2.3(10) . . . . ?
C022 C010 C01X C020 0.2(11) . . . . ?
C024 N00U C014 C01M 1.6(9) . . . . ?
C024 N00U C014 C01P 179.8(6) . . . . ?
C026 C01H C01Y C02F -2.2(11) . . . . ?
C026 C01U C027 C02F -0.7(11) . . . . ?
C027 C01U C026 C01H 1.3(11) . . . . ?
C029 C028 C02C C021 -4.0(11) . . . . ?
C02A C01O C01T Cl0D 176.6(5) . . . . ?
C02A C01O C01T C01C -1.4(11) . . . . ?
C02B C01W C02E C02G -0.2(11) . . . . ?
C02C C028 C029 C01V 4.3(11) . . . . ?
C02E C01W C02B C02I -1.2(12) . . . . ?
C02G C02D C02I C02B -3.8(13) . . . . ?
C02I C02D C02G C02E 2.3(12) . . . . ?
