#------------------------------------------------------------------------------
#$Date: 2021-09-06 11:53:07 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268496 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/87/7128774.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_7128774
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         'C20 H12 Cl8 N2 O5 Si'
_chemical_formula_sum            'C20 H12 Cl8 N2 O5 Si'
_chemical_formula_weight         672.01
_chemical_properties_physical    Moisture-sensitive
_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             2021-03-11
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_audit_update_record
;
2021-06-20 deposited with the CCDC.	2021-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.642(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.3396(13)
_cell_length_b                   9.8161(11)
_cell_length_c                   18.6371(17)
_cell_measurement_reflns_used    9899
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      26.431
_cell_measurement_theta_min      2.31
_cell_volume                     2485.7(4)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker PhotonIII C14 detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CPAD detector'
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0886
_diffrn_reflns_av_unetI/netI     0.0556
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            34627
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.465
_diffrn_reflns_theta_min         2.307
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Incoatec I\ms 3.0'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.993
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0847 before and 0.0615 after correction.
The Ratio of minimum to maximum transmission is 0.6360.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.126
_exptl_crystal_size_mid          0.104
_exptl_crystal_size_min          0.045
_refine_diff_density_max         0.614
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         5023
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1017
_refine_ls_R_factor_gt           0.0629
_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)+(0.0780P)²+8.7959P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1553
_refine_ls_wR_factor_ref         0.1854
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3310
_reflns_number_total             5023
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc03452a2.cif
_cod_data_source_block           mo_dh390_0m
_cod_depositor_comments
'Adding full bibliography for 7128765--7128778.cif.'
_cod_database_code               7128774
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.957
_shelx_estimated_absorpt_t_min   0.885
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B)
2.b Aromatic/amide H refined with riding coordinates:
 C18(H18), C17(H17), C15(H15), C16(H16)
2.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C19(H19A,H19B,H19C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
Cl5 Cl 0.19289(9) 0.46578(16) 0.62246(8) 0.0419(3) Uani 1 1 d . . . . .
Cl4 Cl 0.69499(9) 0.68192(16) 0.77529(7) 0.0426(3) Uani 1 1 d . . . . .
Cl8 Cl 0.30681(10) 0.10112(17) 0.38846(8) 0.0458(4) Uani 1 1 d . . . . .
Cl1 Cl 0.80156(9) 0.32608(16) 0.53501(9) 0.0466(4) Uani 1 1 d . . . . .
Cl2 Cl 0.96634(9) 0.50112(17) 0.64973(9) 0.0502(4) Uani 1 1 d . . . . .
Cl3 Cl 0.91271(9) 0.68130(18) 0.77032(9) 0.0528(4) Uani 1 1 d . . . . .
Si1 Si 0.50413(9) 0.36204(16) 0.59411(8) 0.0348(3) Uani 1 1 d . . . . .
Cl6 Cl 0.03322(9) 0.27223(19) 0.51465(9) 0.0534(4) Uani 1 1 d . . . . .
Cl7 Cl 0.09367(10) 0.07910(19) 0.40166(9) 0.0563(4) Uani 1 1 d . . . . .
O5 O 0.5241(2) 0.2223(4) 0.65051(19) 0.0380(9) Uani 1 1 d . . . . .
O4 O 0.4380(2) 0.2873(4) 0.50890(19) 0.0362(8) Uani 1 1 d . . . . .
O2 O 0.5618(2) 0.4913(4) 0.65656(19) 0.0352(8) Uani 1 1 d . . . . .
O3 O 0.3953(2) 0.4272(4) 0.60262(19) 0.0342(8) Uani 1 1 d . . . . .
O1 O 0.6021(2) 0.3613(4) 0.5586(2) 0.0395(9) Uani 1 1 d . . . . .
N1 N 0.6547(3) 0.2370(5) 0.7658(2) 0.0372(10) Uani 1 1 d . . . . .
N2 N 0.6352(4) 0.3564(5) 0.8697(3) 0.0475(12) Uani 1 1 d . . . . .
C7 C 0.3165(3) 0.3582(6) 0.5559(3) 0.0341(11) Uani 1 1 d . . . . .
C12 C 0.2219(3) 0.3606(6) 0.5581(3) 0.0358(11) Uani 1 1 d . . . . .
C1 C 0.6794(3) 0.4326(6) 0.6038(3) 0.0341(11) Uani 1 1 d . . . . .
C3 C 0.7268(3) 0.5868(6) 0.7094(3) 0.0359(11) Uani 1 1 d . . . . .
C5 C 0.8471(3) 0.5074(6) 0.6527(3) 0.0368(12) Uani 1 1 d . . . . .
C11 C 0.1511(3) 0.2756(6) 0.5090(3) 0.0390(12) Uani 1 1 d . . . . .
C8 C 0.3418(3) 0.2790(6) 0.5034(3) 0.0347(11) Uani 1 1 d . . . . .
C9 C 0.2727(4) 0.1981(6) 0.4525(3) 0.0381(12) Uani 1 1 d . . . . .
C6 C 0.7741(4) 0.4278(6) 0.5999(3) 0.0403(13) Uani 1 1 d . . . . .
C10 C 0.1764(4) 0.1941(6) 0.4578(3) 0.0424(13) Uani 1 1 d . . . . .
C2 C 0.6565(3) 0.5074(6) 0.6585(3) 0.0354(12) Uani 1 1 d . . . . .
C4 C 0.8233(4) 0.5856(6) 0.7058(3) 0.0408(13) Uani 1 1 d . . . . .
C13 C 0.5446(3) 0.2282(6) 0.7274(3) 0.0380(12) Uani 1 1 d . . . . .
H13A H 0.518516 0.145887 0.745155 0.046 Uiso 1 1 calc R U . . .
H13B H 0.512249 0.308948 0.740841 0.046 Uiso 1 1 calc R U . . .
C14 C 0.6942(4) 0.3113(6) 0.8302(3) 0.0432(14) Uani 1 1 d . . . . .
C18 C 0.7128(4) 0.1807(7) 0.7279(3) 0.0462(14) Uani 1 1 d . . . . .
H18 H 0.682686 0.125802 0.684704 0.055 Uiso 1 1 calc R U . . .
C17 C 0.8109(4) 0.2001(8) 0.7493(4) 0.0542(17) Uani 1 1 d . . . . .
H17 H 0.850367 0.157998 0.723218 0.065 Uiso 1 1 calc R U . . .
C20 C 0.5614(4) 0.2683(8) 0.8845(3) 0.0515(15) Uani 1 1 d . . . . .
H20A H 0.495552 0.304738 0.858576 0.077 Uiso 1 1 calc R U . . .
H20B H 0.572271 0.264612 0.939076 0.077 Uiso 1 1 calc R U . . .
H20C H 0.566732 0.176373 0.865622 0.077 Uiso 1 1 calc R U . . .
C15 C 0.7959(4) 0.3409(8) 0.8511(4) 0.0569(18) Uani 1 1 d . . . . .
H15 H 0.825220 0.399819 0.892645 0.068 Uiso 1 1 calc R U . . .
C16 C 0.8521(4) 0.2854(8) 0.8119(4) 0.061(2) Uani 1 1 d . . . . .
H16 H 0.920609 0.304769 0.827181 0.074 Uiso 1 1 calc R U . . .
C19 C 0.6677(6) 0.4657(7) 0.9238(4) 0.0625(19) Uani 1 1 d . . . . .
H19A H 0.701805 0.427608 0.973956 0.094 Uiso 1 1 calc R U . . .
H19B H 0.610551 0.518491 0.925900 0.094 Uiso 1 1 calc R U . . .
H19C H 0.712641 0.525311 0.908336 0.094 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 -3.00 2.00 0.0220
1.00 3.00 -2.00 0.0220
2.00 -3.00 3.00 0.0370
3.00 0.00 1.00 0.0550
-1.00 1.00 -1.00 0.0340
2.00 0.00 -1.00 0.0640
-3.00 0.00 1.00 0.0460
-1.00 1.00 5.00 0.0470
0.00 -1.00 -4.00 0.0370
-1.00 -2.00 3.00 0.0170
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
O5 Si1 O4 99.2(2) . . ?
O5 Si1 O2 103.01(18) . . ?
O5 Si1 O3 102.69(19) . . ?
O5 Si1 O1 103.7(2) . . ?
O4 Si1 O2 157.8(2) . . ?
O4 Si1 O3 89.72(16) . . ?
O4 Si1 O1 85.48(17) . . ?
O3 Si1 O2 85.39(17) . . ?
O1 Si1 O2 89.32(18) . . ?
O1 Si1 O3 153.6(2) . . ?
C13 O5 Si1 123.5(4) . . ?
C8 O4 Si1 109.9(3) . . ?
C2 O2 Si1 111.1(3) . . ?
C7 O3 Si1 110.0(3) . . ?
C1 O1 Si1 111.2(3) . . ?
C14 N1 C13 121.6(5) . . ?
C14 N1 C18 121.3(5) . . ?
C18 N1 C13 116.6(4) . . ?
C14 N2 C20 121.5(5) . . ?
C14 N2 C19 120.1(6) . . ?
C19 N2 C20 113.6(5) . . ?
O3 C7 C12 126.7(5) . . ?
O3 C7 C8 112.2(4) . . ?
C12 C7 C8 121.1(5) . . ?
C7 C12 Cl5 119.4(4) . . ?
C7 C12 C11 119.1(5) . . ?
C11 C12 Cl5 121.5(4) . . ?
O1 C1 C6 124.8(5) . . ?
O1 C1 C2 113.3(4) . . ?
C2 C1 C6 121.8(5) . . ?
C2 C3 Cl4 119.7(4) . . ?
C2 C3 C4 118.4(5) . . ?
C4 C3 Cl4 121.9(4) . . ?
C6 C5 Cl2 118.4(4) . . ?
C4 C5 Cl2 121.1(4) . . ?
C4 C5 C6 120.5(4) . . ?
C12 C11 Cl6 119.3(4) . . ?
C10 C11 Cl6 120.7(4) . . ?
C10 C11 C12 120.0(5) . . ?
O4 C8 C7 113.8(4) . . ?
O4 C8 C9 125.2(5) . . ?
C9 C8 C7 121.0(5) . . ?
C8 C9 Cl8 119.7(4) . . ?
C8 C9 C10 117.9(5) . . ?
C10 C9 Cl8 122.3(4) . . ?
C1 C6 Cl1 120.6(4) . . ?
C1 C6 C5 117.6(5) . . ?
C5 C6 Cl1 121.8(4) . . ?
C11 C10 Cl7 121.1(4) . . ?
C11 C10 C9 120.7(5) . . ?
C9 C10 Cl7 118.1(5) . . ?
O2 C2 C1 113.1(4) . . ?
O2 C2 C3 126.0(5) . . ?
C1 C2 C3 120.9(4) . . ?
C3 C4 Cl3 119.0(5) . . ?
C5 C4 Cl3 120.2(4) . . ?
C5 C4 C3 120.8(5) . . ?
O5 C13 N1 109.9(4) . . ?
O5 C13 H13A 109.7 . . ?
O5 C13 H13B 109.7 . . ?
N1 C13 H13A 109.7 . . ?
N1 C13 H13B 109.7 . . ?
H13A C13 H13B 108.2 . . ?
N1 C14 C15 117.0(6) . . ?
N2 C14 N1 119.6(5) . . ?
N2 C14 C15 123.4(6) . . ?
N1 C18 H18 118.6 . . ?
C17 C18 N1 122.7(6) . . ?
C17 C18 H18 118.6 . . ?
C18 C17 H17 121.5 . . ?
C18 C17 C16 116.9(6) . . ?
C16 C17 H17 121.5 . . ?
N2 C20 H20A 109.5 . . ?
N2 C20 H20B 109.5 . . ?
N2 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.3(6) . . ?
C16 C15 H15 119.8 . . ?
C17 C16 H16 119.3 . . ?
C15 C16 C17 121.3(5) . . ?
C15 C16 H16 119.3 . . ?
N2 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
N2 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl5 C12 1.731(6) . ?
Cl4 C3 1.717(6) . ?
Cl8 C9 1.716(6) . ?
Cl1 C6 1.709(6) . ?
Cl2 C5 1.730(5) . ?
Cl3 C4 1.728(6) . ?
Si1 O5 1.696(4) . ?
Si1 O4 1.731(4) . ?
Si1 O2 1.742(4) . ?
Si1 O3 1.740(4) . ?
Si1 O1 1.734(4) . ?
Cl6 C11 1.727(5) . ?
Cl7 C10 1.728(5) . ?
O5 C13 1.370(6) . ?
O4 C8 1.353(6) . ?
O2 C2 1.356(6) . ?
O3 C7 1.366(6) . ?
O1 C1 1.353(6) . ?
N1 C13 1.513(6) . ?
N1 C14 1.364(7) . ?
N1 C18 1.370(7) . ?
N2 C14 1.360(8) . ?
N2 C20 1.459(8) . ?
N2 C19 1.445(8) . ?
C7 C12 1.371(7) . ?
C7 C8 1.385(8) . ?
C12 C11 1.404(7) . ?
C1 C6 1.384(7) . ?
C1 C2 1.378(8) . ?
C3 C2 1.383(7) . ?
C3 C4 1.406(7) . ?
C5 C6 1.419(7) . ?
C5 C4 1.379(8) . ?
C11 C10 1.379(8) . ?
C8 C9 1.383(7) . ?
C9 C10 1.416(7) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.414(8) . ?
C18 H18 0.9500 . ?
C18 C17 1.348(8) . ?
C17 H17 0.9500 . ?
C17 C16 1.403(10) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C15 H15 0.9500 . ?
C15 C16 1.363(10) . ?
C16 H16 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl5 C12 C11 Cl6 -1.9(7) . . . . ?
Cl5 C12 C11 C10 179.3(5) . . . . ?
Cl4 C3 C2 O2 -2.9(8) . . . . ?
Cl4 C3 C2 C1 178.4(4) . . . . ?
Cl4 C3 C4 Cl3 0.7(7) . . . . ?
Cl4 C3 C4 C5 179.5(4) . . . . ?
Cl8 C9 C10 Cl7 4.3(7) . . . . ?
Cl8 C9 C10 C11 -178.6(5) . . . . ?
Cl2 C5 C6 Cl1 0.7(7) . . . . ?
Cl2 C5 C6 C1 179.0(4) . . . . ?
Cl2 C5 C4 Cl3 0.8(7) . . . . ?
Cl2 C5 C4 C3 -177.9(4) . . . . ?
Si1 O5 C13 N1 -90.2(5) . . . . ?
Si1 O4 C8 C7 14.5(6) . . . . ?
Si1 O4 C8 C9 -164.0(5) . . . . ?
Si1 O2 C2 C1 8.5(6) . . . . ?
Si1 O2 C2 C3 -170.2(5) . . . . ?
Si1 O3 C7 C12 165.5(5) . . . . ?
Si1 O3 C7 C8 -13.5(5) . . . . ?
Si1 O1 C1 C6 166.0(5) . . . . ?
Si1 O1 C1 C2 -10.8(6) . . . . ?
Cl6 C11 C10 Cl7 -3.7(7) . . . . ?
Cl6 C11 C10 C9 179.2(5) . . . . ?
O5 Si1 O4 C8 84.4(4) . . . . ?
O5 Si1 O2 C2 91.7(4) . . . . ?
O5 Si1 O3 C7 -81.2(3) . . . . ?
O5 Si1 O1 C1 -90.3(4) . . . . ?
O4 Si1 O5 C13 -157.6(3) . . . . ?
O4 Si1 O2 C2 -88.4(6) . . . . ?
O4 Si1 O3 C7 18.2(3) . . . . ?
O4 Si1 O1 C1 171.3(4) . . . . ?
O4 C8 C9 Cl8 -1.6(8) . . . . ?
O4 C8 C9 C10 175.7(5) . . . . ?
O2 Si1 O5 C13 22.3(4) . . . . ?
O2 Si1 O4 C8 -95.5(6) . . . . ?
O2 Si1 O3 C7 176.5(3) . . . . ?
O2 Si1 O1 C1 13.0(4) . . . . ?
O3 Si1 O5 C13 -65.8(4) . . . . ?
O3 Si1 O4 C8 -18.4(4) . . . . ?
O3 Si1 O2 C2 -166.3(4) . . . . ?
O3 Si1 O1 C1 91.1(5) . . . . ?
O3 C7 C12 Cl5 3.4(8) . . . . ?
O3 C7 C12 C11 -175.6(5) . . . . ?
O3 C7 C8 O4 -0.6(7) . . . . ?
O3 C7 C8 C9 178.0(5) . . . . ?
O1 Si1 O5 C13 114.8(4) . . . . ?
O1 Si1 O4 C8 -172.5(4) . . . . ?
O1 Si1 O2 C2 -12.1(4) . . . . ?
O1 Si1 O3 C7 97.4(5) . . . . ?
O1 C1 C6 Cl1 -0.5(8) . . . . ?
O1 C1 C6 C5 -178.9(5) . . . . ?
O1 C1 C2 O2 1.5(7) . . . . ?
O1 C1 C2 C3 -179.7(5) . . . . ?
N1 C14 C15 C16 -6.2(9) . . . . ?
N1 C18 C17 C16 -2.0(10) . . . . ?
N2 C14 C15 C16 175.8(6) . . . . ?
C7 C12 C11 Cl6 177.0(4) . . . . ?
C7 C12 C11 C10 -1.8(8) . . . . ?
C7 C8 C9 Cl8 -179.9(4) . . . . ?
C7 C8 C9 C10 -2.7(9) . . . . ?
C12 C7 C8 O4 -179.6(5) . . . . ?
C12 C7 C8 C9 -1.1(9) . . . . ?
C12 C11 C10 Cl7 175.0(4) . . . . ?
C12 C11 C10 C9 -2.0(9) . . . . ?
C8 C7 C12 Cl5 -177.7(4) . . . . ?
C8 C7 C12 C11 3.4(8) . . . . ?
C8 C9 C10 Cl7 -172.9(4) . . . . ?
C8 C9 C10 C11 4.2(9) . . . . ?
C6 C1 C2 O2 -175.4(5) . . . . ?
C6 C1 C2 C3 3.4(9) . . . . ?
C6 C5 C4 Cl3 179.5(4) . . . . ?
C6 C5 C4 C3 0.8(9) . . . . ?
C2 C1 C6 Cl1 176.1(4) . . . . ?
C2 C1 C6 C5 -2.4(9) . . . . ?
C2 C3 C4 Cl3 -178.6(4) . . . . ?
C2 C3 C4 C5 0.1(9) . . . . ?
C4 C3 C2 O2 176.5(5) . . . . ?
C4 C3 C2 C1 -2.2(8) . . . . ?
C4 C5 C6 Cl1 -178.2(5) . . . . ?
C4 C5 C6 C1 0.2(9) . . . . ?
C13 N1 C14 N2 13.3(8) . . . . ?
C13 N1 C14 C15 -164.7(5) . . . . ?
C13 N1 C18 C17 169.1(6) . . . . ?
C14 N1 C13 O5 145.0(5) . . . . ?
C14 N1 C18 C17 -3.2(9) . . . . ?
C14 C15 C16 C17 1.3(10) . . . . ?
C18 N1 C13 O5 -27.3(7) . . . . ?
C18 N1 C14 N2 -174.8(5) . . . . ?
C18 N1 C14 C15 7.2(8) . . . . ?
C18 C17 C16 C15 2.9(10) . . . . ?
C20 N2 C14 N1 44.1(8) . . . . ?
C20 N2 C14 C15 -138.0(6) . . . . ?
C19 N2 C14 N1 -161.9(6) . . . . ?
C19 N2 C14 C15 16.0(9) . . . . ?
