#------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/95/4089546.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_4089546
loop_
_publ_author_name
'Zabula, Alexander V.'
'Rogachev, Andrey Yu.'
'Guzei, Ilia A.'
'West, Robert'
_publ_section_title
;
 Silicon in a Negatively Charged Shell: Anions of Spirosilabifluorene
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3760
_journal_paper_doi               10.1021/om400419a
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C54 H46 Cs3 O3 Si2, C4 H8 O'
_chemical_formula_sum            'C58 H54 Cs3 O4 Si2'
_chemical_formula_weight         1269.92
_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     direct
_audit_creation_date             2013-02-04
_audit_creation_method
;
  Olex2 1.2-dev
  (compiled Jan 17 2013 15:44:36, GUI svn.r4391)
;
_cell_angle_alpha                90
_cell_angle_beta                 104.53(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.641(7)
_cell_length_b                   25.131(9)
_cell_length_c                   11.216(4)
_cell_measurement_reflns_used    9804
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.40
_cell_volume                     5086(3)
_computing_cell_refinement       'SAINT+ Ver. 7.68A (Bruker-AXS, 2009)'
_computing_data_collection       'APEX2 Ver. 2012.14-3 (Bruker-AXS, 2012)'
_computing_data_reduction        'SAINT+ Ver. 7.68A'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2008-2012)'
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       '0.5° ω and 0.5° φ scans'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            97997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         30.613
_diffrn_reflns_theta_min         1.389
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.233
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6531
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0620 before and 0.0465 after correction.
The Ratio of minimum to maximum transmission is 0.8754.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2508
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   .7461
_exptl_transmission_factor_min   .6531
_refine_diff_density_max         0.856
_refine_diff_density_min         -1.186
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         15601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0297
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0241P)²+6.2867P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0650
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13693
_reflns_number_total             15601
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om400419a_si_002.cif
_cod_data_source_block           compound_5
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               4089546
_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:
 C26(H26A,H26B), C27(H1B,H27), C28(H28A,H28B), C29(H29A,H29B), C55(H55A,H55B),
 C56(H56A,H56B), C57(H57A,H57B), C58(H58A,H58B)
2.b Me refined with riding coordinates:
 C25(H25A,H25B,H25C)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H1A), C14(H14),
 C15(H15), C16(H16), C17(H17), C20(H20), C21(H21), C22(H22), C23(H23), C32(H32),
  C33(H33), C34(H34), C35(H35), C38(H38), C39(H39), C40(H40), C41(H41),
 C44(H44), C45(H45), C46(H46), C47(H47), C50(H50), C51(H51), C52(H52), C53(H53)
2.d Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C)
;
_shelx_estimated_absorpt_t_max   0.664
_shelx_estimated_absorpt_t_min   0.469
_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.
;
_shelxl_version_number           2012-9
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
Cs1 Cs 0.80335(2) 0.79970(2) 0.84636(2) 0.02817(4) Uani 1 1 d . .
Cs2 Cs 0.79123(2) 0.94854(2) 0.64950(2) 0.01468(3) Uani 1 1 d . .
Cs3 Cs 0.90639(2) 1.18769(2) 0.64926(2) 0.01784(3) Uani 1 1 d . .
Si1 Si 0.95098(3) 0.68371(2) 1.08510(5) 0.01130(10) Uani 1 1 d . .
Si2 Si 0.68940(3) 1.10187(2) 0.53168(5) 0.01233(11) Uani 1 1 d . .
O1 O 0.86640(10) 0.90974(7) 0.92980(15) 0.0217(3) Uani 1 1 d . .
O2 O 0.71981(9) 0.94050(7) 0.87220(15) 0.0210(3) Uani 1 1 d . .
O3 O 0.62535(10) 0.91142(9) 0.64489(19) 0.0360(5) Uani 1 1 d . .
C1 C 1.02756(11) 0.63545(8) 1.16187(19) 0.0126(4) Uani 1 1 d . .
C2 C 1.02262(12) 0.58213(8) 1.1964(2) 0.0154(4) Uani 1 1 d . .
H2 H 0.9755 0.5653 1.1780 0.019 Uiso 1 1 calc R U
C3 C 1.08470(13) 0.55327(9) 1.2568(2) 0.0178(4) Uani 1 1 d . .
H3 H 1.0799 0.5169 1.2769 0.021 Uiso 1 1 calc R U
C4 C 1.15446(13) 0.57779(9) 1.2881(2) 0.0170(4) Uani 1 1 d . .
H4 H 1.1967 0.5583 1.3310 0.020 Uiso 1 1 calc R U
C5 C 1.16195(12) 0.63050(8) 1.25654(19) 0.0147(4) Uani 1 1 d . .
H5 H 1.2091 0.6473 1.2786 0.018 Uiso 1 1 calc R U
C6 C 1.09935(11) 0.65896(8) 1.19173(18) 0.0123(4) Uani 1 1 d . .
C7 C 1.10071(11) 0.71289(8) 1.14255(19) 0.0126(4) Uani 1 1 d . .
C8 C 1.16441(12) 0.74219(9) 1.1407(2) 0.0163(4) Uani 1 1 d . .
H8 H 1.2120 0.7279 1.1779 0.020 Uiso 1 1 calc R U
C9 C 1.15858(12) 0.79185(9) 1.0851(2) 0.0191(4) Uani 1 1 d . .
H9 H 1.2020 0.8116 1.0849 0.023 Uiso 1 1 calc R U
C10 C 1.08839(13) 0.81277(9) 1.0291(2) 0.0184(4) Uani 1 1 d . .
H10 H 1.0841 0.8466 0.9902 0.022 Uiso 1 1 calc R U
C11 C 1.02519(12) 0.78384(8) 1.0309(2) 0.0154(4) Uani 1 1 d . .
H1A H 0.9780 0.7984 0.9925 0.018 Uiso 1 1 calc R U
C12 C 1.02866(11) 0.73360(8) 1.08775(19) 0.0125(4) Uani 1 1 d . .
C13 C 0.87677(11) 0.63890(8) 0.99080(19) 0.0127(4) Uani 1 1 d . .
C14 C 0.88225(12) 0.59099(8) 0.92736(19) 0.0144(4) Uani 1 1 d . .
H14 H 0.9299 0.5759 0.9344 0.017 Uiso 1 1 calc R U
C15 C 0.82088(13) 0.56536(9) 0.8554(2) 0.0182(4) Uani 1 1 d . .
H15 H 0.8266 0.5325 0.8168 0.022 Uiso 1 1 calc R U
C16 C 0.74964(13) 0.58796(9) 0.8393(2) 0.0181(4) Uani 1 1 d . .
H16 H 0.7076 0.5709 0.7882 0.022 Uiso 1 1 calc R U
C17 C 0.74148(12) 0.63497(9) 0.8981(2) 0.0166(4) Uani 1 1 d . .
H17 H 0.6937 0.6505 0.8860 0.020 Uiso 1 1 calc R U
C18 C 0.80316(11) 0.66018(8) 0.97556(19) 0.0125(4) Uani 1 1 d . .
C19 C 0.80142(12) 0.70864(8) 1.04417(19) 0.0134(4) Uani 1 1 d . .
C20 C 0.73734(12) 0.73671(9) 1.0533(2) 0.0176(4) Uani 1 1 d . .
H20 H 0.6897 0.7222 1.0179 0.021 Uiso 1 1 calc R U
C21 C 0.74337(13) 0.78524(10) 1.1133(2) 0.0198(4) Uani 1 1 d . .
H21 H 0.7000 0.8041 1.1179 0.024 Uiso 1 1 calc R U
C22 C 0.81393(12) 0.80685(9) 1.1678(2) 0.0163(4) Uani 1 1 d . .
H22 H 0.8181 0.8405 1.2077 0.020 Uiso 1 1 calc R U
C23 C 0.87709(12) 0.77876(8) 1.1627(2) 0.0147(4) Uani 1 1 d . .
H23 H 0.9242 0.7932 1.2022 0.018 Uiso 1 1 calc R U
C24 C 0.87406(11) 0.72953(8) 1.10108(19) 0.0127(4) Uani 1 1 d . .
C25 C 0.94438(14) 0.91531(11) 0.9467(2) 0.0268(5) Uani 1 1 d . .
H25A H 0.9702 0.8902 1.0097 0.040 Uiso 1 1 calc R U
H25B H 0.9592 0.9517 0.9732 0.040 Uiso 1 1 calc R U
H25C H 0.9573 0.9079 0.8689 0.040 Uiso 1 1 calc R U
C26 C 0.83942(15) 0.94340(10) 1.0109(2) 0.0243(5) Uani 1 1 d . .
H26A H 0.8467 0.9811 0.9914 0.029 Uiso 1 1 calc R U
H26B H 0.8673 0.9366 1.0970 0.029 Uiso 1 1 calc R U
C27 C 0.75874(15) 0.93278(10) 0.9970(2) 0.0240(5) Uani 1 1 d . .
H1B H 0.7517 0.8958 1.0222 0.029 Uiso 1 1 calc R U
H27 H 0.7392 0.9572 1.0505 0.029 Uiso 1 1 calc R U
C28 C 0.64192(14) 0.93579(11) 0.8555(2) 0.0273(5) Uani 1 1 d . .
H28A H 0.6252 0.9606 0.9116 0.033 Uiso 1 1 calc R U
H28B H 0.6294 0.8991 0.8756 0.033 Uiso 1 1 calc R U
C29 C 0.60346(15) 0.94839(11) 0.7253(3) 0.0301(6) Uani 1 1 d . .
H29A H 0.5491 0.9465 0.7143 0.036 Uiso 1 1 calc R U
H29B H 0.6162 0.9850 0.7051 0.036 Uiso 1 1 calc R U
C30 C 0.56918(18) 0.90536(17) 0.5336(3) 0.0490(9) Uani 1 1 d . .
H30A H 0.5557 0.9404 0.4961 0.074 Uiso 1 1 calc R U
H30B H 0.5255 0.8887 0.5514 0.074 Uiso 1 1 calc R U
H30C H 0.5876 0.8828 0.4765 0.074 Uiso 1 1 calc R U
C31 C 0.78607(12) 1.08003(8) 0.59181(19) 0.0127(4) Uani 1 1 d . .
C32 C 0.84233(12) 1.06631(8) 0.5339(2) 0.0150(4) Uani 1 1 d . .
H32 H 0.8322 1.0676 0.4466 0.018 Uiso 1 1 calc R U
C33 C 0.91219(12) 1.05089(9) 0.6015(2) 0.0175(4) Uani 1 1 d . .
H33 H 0.9489 1.0407 0.5606 0.021 Uiso 1 1 calc R U
C34 C 0.92833(12) 1.05047(9) 0.7318(2) 0.0180(4) Uani 1 1 d . .
H34 H 0.9768 1.0414 0.7784 0.022 Uiso 1 1 calc R U
C35 C 0.87423(12) 1.06308(8) 0.7919(2) 0.0157(4) Uani 1 1 d . .
H35 H 0.8861 1.0629 0.8794 0.019 Uiso 1 1 calc R U
C36 C 0.80201(12) 1.07616(8) 0.72541(19) 0.0129(4) Uani 1 1 d . .
C37 C 0.73779(12) 1.08283(8) 0.77380(19) 0.0132(4) Uani 1 1 d . .
C38 C 0.73726(13) 1.07877(8) 0.8991(2) 0.0162(4) Uani 1 1 d . .
H38 H 0.7825 1.0731 0.9594 0.019 Uiso 1 1 calc R U
C39 C 0.67222(13) 1.08282(9) 0.9350(2) 0.0192(4) Uani 1 1 d . .
H39 H 0.6729 1.0798 1.0197 0.023 Uiso 1 1 calc R U
C40 C 0.60464(13) 1.09140(9) 0.8475(2) 0.0213(5) Uani 1 1 d . .
H40 H 0.5597 1.0933 0.8727 0.026 Uiso 1 1 calc R U
C41 C 0.60407(12) 1.09708(9) 0.7242(2) 0.0177(4) Uani 1 1 d . .
H41 H 0.5585 1.1038 0.6657 0.021 Uiso 1 1 calc R U
C42 C 0.66950(12) 1.09304(8) 0.6842(2) 0.0146(4) Uani 1 1 d . .
C43 C 0.63572(12) 1.07252(8) 0.3808(2) 0.0151(4) Uani 1 1 d . .
C44 C 0.61967(13) 1.01982(9) 0.3457(2) 0.0201(4) Uani 1 1 d . .
H44 H 0.6355 0.9921 0.4041 0.024 Uiso 1 1 calc R U
C45 C 0.58060(14) 1.00728(10) 0.2258(2) 0.0242(5) Uani 1 1 d . .
H45 H 0.5698 0.9712 0.2027 0.029 Uiso 1 1 calc R U
C46 C 0.55756(14) 1.04767(11) 0.1403(2) 0.0259(5) Uani 1 1 d . .
H46 H 0.5305 1.0392 0.0589 0.031 Uiso 1 1 calc R U
C47 C 0.57396(13) 1.10038(10) 0.1734(2) 0.0219(5) Uani 1 1 d . .
H47 H 0.5584 1.1278 0.1142 0.026 Uiso 1 1 calc R U
C48 C 0.61309(12) 1.11323(9) 0.29250(19) 0.0150(4) Uani 1 1 d . .
C49 C 0.63390(12) 1.16816(8) 0.3388(2) 0.0153(4) Uani 1 1 d . .
C50 C 0.61892(13) 1.21455(9) 0.2689(2) 0.0198(4) Uani 1 1 d . .
H50 H 0.5959 1.2127 0.1832 0.024 Uiso 1 1 calc R U
C51 C 0.63798(14) 1.26348(9) 0.3258(2) 0.0237(5) Uani 1 1 d . .
H51 H 0.6284 1.2952 0.2783 0.028 Uiso 1 1 calc R U
C52 C 0.67074(13) 1.26669(9) 0.4511(2) 0.0213(5) Uani 1 1 d . .
H52 H 0.6814 1.3004 0.4896 0.026 Uiso 1 1 calc R U
C53 C 0.68798(12) 1.22039(8) 0.5199(2) 0.0173(4) Uani 1 1 d . .
H53 H 0.7118 1.2226 0.6052 0.021 Uiso 1 1 calc R U
C54 C 0.67060(12) 1.17064(8) 0.4648(2) 0.0139(4) Uani 1 1 d . .
O4 O 0.60576(14) 0.73553(13) 0.7678(2) 0.0630(8) Uani 1 1 d . .
C55 C 0.57385(19) 0.78192(17) 0.7033(4) 0.0547(10) Uani 1 1 d . .
H55A H 0.6131 0.8078 0.6985 0.066 Uiso 1 1 calc R U
H55B H 0.5396 0.7990 0.7464 0.066 Uiso 1 1 calc R U
C56 C 0.53182(16) 0.76464(15) 0.5743(3) 0.0429(8) Uani 1 1 d . .
H56A H 0.4814 0.7802 0.5516 0.052 Uiso 1 1 calc R U
H56B H 0.5587 0.7752 0.5123 0.052 Uiso 1 1 calc R U
C57 C 0.52863(18) 0.70453(15) 0.5851(3) 0.0463(9) Uani 1 1 d . .
H57A H 0.4773 0.6914 0.5534 0.056 Uiso 1 1 calc R U
H57B H 0.5610 0.6871 0.5389 0.056 Uiso 1 1 calc R U
C58 C 0.5559(2) 0.69406(18) 0.7208(4) 0.0604(11) Uani 1 1 d . .
H58A H 0.5141 0.6941 0.7606 0.072 Uiso 1 1 calc R U
H58B H 0.5812 0.6592 0.7356 0.072 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'
Cs Cs -0.3680 2.1192 '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
O1 Cs1 C19 105.60(5) . 4_575
O1 Cs1 C19 120.38(6) . .
O1 Cs1 C20 124.61(5) . 4_575
O1 Cs1 C20 113.70(5) . .
O1 Cs1 C21 147.59(5) . 4_575
O1 Cs1 C21 90.74(5) . .
O1 Cs1 C22 145.37(5) . 4_575
O1 Cs1 C23 121.99(5) . 4_575
O1 Cs1 C23 78.65(5) . .
O1 Cs1 C24 104.16(5) . 4_575
O1 Cs1 C24 100.20(5) . .
C19 Cs1 C19 130.67(3) . 4_575
C19 Cs1 C20 114.98(6) . 4_575
C19 Cs1 C20 25.10(5) . .
C19 Cs1 C21 42.51(5) . .
C19 Cs1 C21 91.48(6) . 4_575
C19 Cs1 C21 158.86(6) 4_575 .
C19 Cs1 C22 81.76(6) . 4_575
C19 Cs1 C23 42.25(5) . .
C19 Cs1 C23 94.74(6) . 4_575
C19 Cs1 C23 154.94(5) 4_575 .
C19 Cs1 C24 25.42(5) . .
C19 Cs1 C24 24.49(5) 4_575 4_575
C19 Cs1 C24 118.65(6) . 4_575
C20 Cs1 C19 139.79(6) . 4_575
C20 Cs1 C19 24.25(5) 4_575 4_575
C20 Cs1 C20 116.88(5) . 4_575
C20 Cs1 C21 97.67(6) . 4_575
C20 Cs1 C21 23.44(6) . .
C20 Cs1 C21 23.92(6) 4_575 4_575
C20 Cs1 C21 134.67(6) 4_575 .
C20 Cs1 C22 97.16(6) . 4_575
C20 Cs1 C22 42.31(6) 4_575 4_575
C20 Cs1 C23 155.44(5) 4_575 .
C20 Cs1 C23 49.14(6) 4_575 4_575
C20 Cs1 C23 115.47(6) . 4_575
C20 Cs1 C23 48.38(6) . .
C20 Cs1 C24 43.00(5) 4_575 4_575
C20 Cs1 C24 138.81(6) . 4_575
C20 Cs1 C24 43.87(6) . .
C21 Cs1 C19 42.31(5) 4_575 4_575
C21 Cs1 C21 119.42(5) 4_575 .
C21 Cs1 C22 24.25(6) 4_575 4_575
C21 Cs1 C23 40.58(6) . .
C21 Cs1 C23 131.64(6) 4_575 .
C21 Cs1 C23 42.17(6) 4_575 4_575
C21 Cs1 C24 49.74(5) 4_575 4_575
C22 Cs1 C19 49.11(5) 4_575 4_575
C22 Cs1 C21 120.54(6) 4_575 .
C22 Cs1 C23 23.66(5) 4_575 4_575
C22 Cs1 C23 114.48(5) 4_575 .
C22 Cs1 C24 42.30(5) 4_575 4_575
C23 Cs1 C19 42.13(5) 4_575 4_575
C23 Cs1 C21 137.14(6) 4_575 .
C23 Cs1 C23 114.37(5) 4_575 .
C23 Cs1 C24 23.96(5) 4_575 4_575
C24 Cs1 C19 136.67(5) . 4_575
C24 Cs1 C20 131.92(6) . 4_575
C24 Cs1 C21 49.35(5) . .
C24 Cs1 C21 108.36(6) . 4_575
C24 Cs1 C21 161.10(5) 4_575 .
C24 Cs1 C22 91.12(6) . 4_575
C24 Cs1 C23 130.54(5) 4_575 .
C24 Cs1 C23 23.63(5) . .
C24 Cs1 C23 94.58(6) . 4_575
C24 Cs1 C24 115.28(5) . 4_575
O1 Cs2 C13 99.47(5) . 4_575
O1 Cs2 C14 115.83(5) . 4_575
O1 Cs2 C16 144.89(5) . 4_575
O1 Cs2 C17 124.73(5) . 4_575
O1 Cs2 C18 103.86(5) . 4_575
O1 Cs2 C31 117.70(5) . .
O1 Cs2 C32 121.75(5) . .
O1 Cs2 C35 76.65(5) . .
O1 Cs2 C36 93.33(5) . .
O2 Cs2 O1 51.20(5) . .
O2 Cs2 O3 52.58(5) . .
O2 Cs2 C13 135.70(5) . 4_575
O2 Cs2 C14 159.18(5) . 4_575
O2 Cs2 C16 138.47(5) . 4_575
O2 Cs2 C17 122.29(5) . 4_575
O2 Cs2 C18 120.71(5) . 4_575
O2 Cs2 C31 102.73(5) . .
O2 Cs2 C32 124.66(5) . .
O2 Cs2 C35 85.15(5) . .
O2 Cs2 C36 82.38(5) . .
O3 Cs2 O1 96.18(6) . .
O3 Cs2 C13 111.89(5) . 4_575
O3 Cs2 C14 122.89(5) . 4_575
O3 Cs2 C16 86.32(6) . 4_575
O3 Cs2 C17 75.55(5) . 4_575
O3 Cs2 C18 87.64(5) . 4_575
O3 Cs2 C31 107.50(6) . .
O3 Cs2 C32 126.57(6) . .
O3 Cs2 C35 124.38(5) . .
O3 Cs2 C36 106.32(5) . .
C13 Cs2 C14 23.49(5) 4_575 4_575
C13 Cs2 C16 48.40(5) 4_575 4_575
C13 Cs2 C32 98.33(5) 4_575 .
C13 Cs2 C35 123.72(5) 4_575 .
C14 Cs2 C16 40.58(6) 4_575 4_575
C17 Cs2 C13 42.01(5) 4_575 4_575
C17 Cs2 C14 47.38(5) 4_575 4_575
C17 Cs2 C16 22.92(5) 4_575 4_575
C17 Cs2 C32 104.89(6) 4_575 .
C17 Cs2 C35 151.64(5) 4_575 .
C18 Cs2 C13 24.27(5) 4_575 4_575
C18 Cs2 C14 41.22(5) 4_575 4_575
C18 Cs2 C16 41.11(5) 4_575 4_575
C18 Cs2 C17 23.68(5) 4_575 4_575
C18 Cs2 C32 114.14(5) 4_575 .
C18 Cs2 C35 147.94(5) 4_575 .
C31 Cs2 C13 121.31(5) . 4_575
C31 Cs2 C14 97.92(5) . 4_575
C31 Cs2 C16 94.47(5) . 4_575
C31 Cs2 C17 116.83(5) . 4_575
C31 Cs2 C18 133.03(5) . 4_575
C31 Cs2 C32 23.76(5) . .
C31 Cs2 C35 42.28(5) . .
C32 Cs2 C14 75.36(5) . 4_575
C32 Cs2 C16 82.21(6) . 4_575
C32 Cs2 C35 47.82(5) . .
C35 Cs2 C14 108.95(5) . 4_575
C35 Cs2 C16 129.78(5) . 4_575
C36 Cs2 C13 137.86(5) . 4_575
C36 Cs2 C14 116.74(5) . 4_575
C36 Cs2 C16 119.64(5) . 4_575
C36 Cs2 C17 141.79(5) . 4_575
C36 Cs2 C18 156.66(5) . 4_575
C36 Cs2 C31 25.18(5) . .
C36 Cs2 C32 42.53(5) . .
C36 Cs2 C35 23.80(5) . .
C7 Cs3 C7 122.26(3) 2_756 3_777
C7 Cs3 C8 130.55(5) 2_756 3_777
C7 Cs3 C8 106.19(6) 3_777 2_756
C7 Cs3 C8 23.72(5) 2_756 2_756
C7 Cs3 C8 23.43(5) 3_777 3_777
C7 Cs3 C9 150.79(5) 2_756 3_777
C7 Cs3 C9 40.65(5) 3_777 3_777
C7 Cs3 C11 150.89(5) 2_756 3_777
C7 Cs3 C11 40.30(5) 3_777 3_777
C7 Cs3 C12 23.69(5) 3_777 3_777
C7 Cs3 C12 130.17(5) 2_756 3_777
C7 Cs3 C12 24.59(5) 2_756 2_756
C7 Cs3 C31 123.95(5) 3_777 .
C7 Cs3 C31 95.86(5) 2_756 .
C7 Cs3 C32 82.67(5) 2_756 .
C7 Cs3 C33 91.82(5) 2_756 .
C7 Cs3 C33 145.85(5) 3_777 .
C7 Cs3 C34 123.13(6) 3_777 .
C7 Cs3 C34 114.58(5) 2_756 .
C8 Cs3 C8 108.48(4) 3_777 2_756
C8 Cs3 C9 127.18(6) 2_756 3_777
C8 Cs3 C9 22.89(5) 3_777 3_777
C8 Cs3 C11 145.06(5) 2_756 3_777
C8 Cs3 C11 46.65(5) 3_777 3_777
C8 Cs3 C12 122.40(6) 2_756 3_777
C8 Cs3 C12 41.36(5) 3_777 3_777
C8 Cs3 C31 100.63(5) 3_777 .
C8 Cs3 C33 129.74(5) 3_777 .
C8 Cs3 C33 105.33(6) 2_756 .
C8 Cs3 C34 110.75(6) 3_777 .
C8 Cs3 C34 128.08(5) 2_756 .
C9 Cs3 C11 39.83(5) 3_777 3_777
C9 Cs3 C34 87.87(5) 3_777 .
C11 Cs3 C34 86.79(5) 3_777 .
C12 Cs3 C7 111.53(5) 2_756 3_777
C12 Cs3 C8 129.32(5) 2_756 3_777
C12 Cs3 C8 42.01(5) 2_756 2_756
C12 Cs3 C9 47.59(5) 3_777 3_777
C12 Cs3 C9 151.64(5) 2_756 3_777
C12 Cs3 C11 127.82(5) 2_756 3_777
C12 Cs3 C11 22.97(5) 3_777 3_777
C12 Cs3 C12 110.62(4) 2_756 3_777
C12 Cs3 C31 117.48(5) 2_756 .
C12 Cs3 C32 99.61(5) 2_756 .
C12 Cs3 C33 100.62(5) 2_756 .
C12 Cs3 C34 109.52(5) 3_777 .
C12 Cs3 C34 119.51(5) 2_756 .
C31 Cs3 C8 93.30(5) . 2_756
C31 Cs3 C9 85.85(5) . 3_777
C31 Cs3 C11 113.24(5) . 3_777
C31 Cs3 C12 131.84(5) . 3_777
C31 Cs3 C33 41.05(5) . .
C31 Cs3 C34 47.25(5) . .
C32 Cs3 C7 146.78(5) . 3_777
C32 Cs3 C8 89.02(6) . 2_756
C32 Cs3 C8 123.86(5) . 3_777
C32 Cs3 C9 106.82(5) . 3_777
C32 Cs3 C11 124.33(5) . 3_777
C32 Cs3 C12 146.95(5) . 3_777
C32 Cs3 C31 23.59(5) . .
C32 Cs3 C33 23.18(5) . .
C32 Cs3 C34 40.56(6) . .
C33 Cs3 C9 107.73(5) . 3_777
C33 Cs3 C11 109.61(5) . 3_777
C33 Cs3 C12 131.95(5) . 3_777
C33 Cs3 C34 23.14(5) . .
C1 Si1 Cs3 77.12(7) . 2_746
C1 Si1 C12 86.09(10) . .
C12 Si1 Cs3 52.78(6) . 2_746
C13 Si1 Cs3 98.87(7) . 2_746
C13 Si1 C1 103.53(10) . .
C13 Si1 C12 147.79(9) . .
C24 Si1 Cs3 131.66(7) . 2_746
C24 Si1 C1 148.02(9) . .
C24 Si1 C12 100.93(10) . .
C24 Si1 C13 87.11(10) . .
C31 Si2 C42 91.75(10) . .
C31 Si2 C43 117.50(10) . .
C31 Si2 C54 119.13(9) . .
C42 Si2 C43 126.70(10) . .
C42 Si2 C54 114.69(9) . .
C54 Si2 C43 89.87(10) . .
Cs1 O1 Cs2 86.33(5) . .
C25 O1 Cs1 115.49(14) . .
C25 O1 Cs2 106.07(14) . .
C26 O1 Cs1 124.25(14) . .
C26 O1 Cs2 107.69(13) . .
C26 O1 C25 111.65(19) . .
C27 O2 Cs2 125.70(14) . .
C27 O2 C28 111.80(19) . .
C28 O2 Cs2 121.81(14) . .
C29 O3 Cs2 103.17(15) . .
C30 O3 Cs2 122.56(17) . .
C30 O3 C29 111.2(2) . .
C2 C1 Si1 129.66(16) . .
C2 C1 C6 117.00(19) . .
C6 C1 Si1 113.29(15) . .
C1 C2 H2 119.1 . .
C3 C2 C1 121.9(2) . .
C3 C2 H2 119.1 . .
C2 C3 H3 120.0 . .
C2 C3 C4 120.0(2) . .
C4 C3 H3 120.0 . .
C3 C4 H4 119.9 . .
C5 C4 C3 120.2(2) . .
C5 C4 H4 119.9 . .
C4 C5 H5 120.2 . .
C4 C5 C6 119.6(2) . .
C6 C5 H5 120.2 . .
C1 C6 Cs3 93.08(12) . 2_746
C1 C6 C7 113.53(18) . .
C5 C6 Cs3 114.82(13) . 2_746
C5 C6 C1 121.32(19) . .
C5 C6 C7 125.07(19) . .
C7 C6 Cs3 56.91(10) . 2_746
Cs3 C7 Cs3 144.27(7) 2_746 3_777
C6 C7 Cs3 101.27(12) . 2_746
C6 C7 Cs3 114.10(13) . 3_777
C8 C7 Cs3 84.81(13) . 2_746
C8 C7 Cs3 78.79(12) . 3_777
C8 C7 C6 125.87(19) . .
C8 C7 C12 120.73(19) . .
C12 C7 Cs3 81.02(12) . 2_746
C12 C7 Cs3 80.53(12) . 3_777
C12 C7 C6 113.32(18) . .
Cs3 C8 Cs3 136.00(7) 3_777 2_746
Cs3 C8 H8 111.5 3_777 .
Cs3 C8 H8 110.8 2_746 .
C7 C8 Cs3 71.47(12) . 2_746
C7 C8 Cs3 77.78(12) . 3_777
C7 C8 H8 119.7 . .
C9 C8 Cs3 81.25(13) . 3_777
C9 C8 Cs3 87.99(14) . 2_746
C9 C8 C7 120.5(2) . .
C9 C8 H8 119.7 . .
Cs3 C9 Cs3 125.77(6) 3_777 2_746
Cs3 C9 H9 119.8 2_746 .
Cs3 C9 H9 113.5 3_777 .
C8 C9 Cs3 69.95(13) . 2_746
C8 C9 Cs3 75.86(13) . 3_777
C8 C9 H9 120.1 . .
C8 C9 C10 119.8(2) . .
C10 C9 Cs3 81.07(13) . 2_746
C10 C9 Cs3 81.01(13) . 3_777
C10 C9 H9 120.1 . .
Cs3 C10 Cs3 122.54(6) 3_777 2_746
Cs3 C10 H10 121.1 2_746 .
Cs3 C10 H10 116.3 3_777 .
C9 C10 Cs3 77.17(13) . 2_746
C9 C10 Cs3 76.23(14) . 3_777
C9 C10 H10 120.1 . .
C11 C10 Cs3 78.05(13) . 3_777
C11 C10 Cs3 72.77(13) . 2_746
C11 C10 C9 119.8(2) . .
C11 C10 H10 120.1 . .
Cs3 C11 Cs3 127.92(6) 3_777 2_746
Cs3 C11 H1A 115.8 3_777 .
Cs3 C11 H1A 115.1 2_746 .
C10 C11 Cs3 85.51(13) . 2_746
C10 C11 Cs3 79.55(14) . 3_777
C10 C11 H1A 118.9 . .
C10 C11 C12 122.2(2) . .
C12 C11 Cs3 76.12(12) . 3_777
C12 C11 Cs3 70.64(12) . 2_746
C12 C11 H1A 118.9 . .
Cs3 C12 Cs3 137.42(7) 2_746 3_777
Si1 C12 Cs3 118.94(9) . 3_777
Si1 C12 Cs3 100.55(8) . 2_746
C7 C12 Cs3 75.78(12) . 3_777
C7 C12 Cs3 74.39(12) . 2_746
C7 C12 Si1 113.26(15) . .
C11 C12 Cs3 80.91(12) . 3_777
C11 C12 Cs3 86.26(12) . 2_746
C11 C12 Si1 129.27(16) . .
C11 C12 C7 116.94(19) . .
Si1 C13 Cs2 117.27(9) . 4_576
C14 C13 Cs2 79.58(12) . 4_576
C14 C13 Si1 130.82(16) . .
C14 C13 C18 116.25(19) . .
C18 C13 Cs2 75.45(11) . 4_576
C18 C13 Si1 112.75(15) . .
Cs2 C14 H14 115.9 4_576 .
C13 C14 Cs2 76.93(12) . 4_576
C13 C14 H14 118.8 . .
C15 C14 Cs2 78.74(13) . 4_576
C15 C14 C13 122.4(2) . .
C15 C14 H14 118.8 . .
Cs2 C15 H15 113.9 4_576 .
C14 C15 Cs2 78.44(13) . 4_576
C14 C15 H15 120.0 . .
C14 C15 C16 120.0(2) . .
C16 C15 Cs2 78.18(13) . 4_576
C16 C15 H15 120.0 . .
Cs2 C16 H16 115.2 4_576 .
C15 C16 Cs2 78.48(13) . 4_576
C15 C16 H16 120.1 . .
C17 C16 Cs2 76.84(13) . 4_576
C17 C16 C15 119.7(2) . .
C17 C16 H16 120.1 . .
Cs2 C17 H17 114.5 4_576 .
C16 C17 Cs2 80.24(13) . 4_576
C16 C17 H17 119.7 . .
C16 C17 C18 120.7(2) . .
C18 C17 Cs2 76.02(12) . 4_576
C18 C17 H17 119.7 . .
Cs2 C18 Cs1 165.72(6) 4_576 .
C13 C18 Cs1 107.21(12) . .
C13 C18 Cs2 80.28(11) . 4_576
C13 C18 C19 113.39(18) . .
C17 C18 Cs1 105.02(13) . .
C17 C18 Cs2 80.30(12) . 4_576
C17 C18 C13 120.82(19) . .
C17 C18 C19 125.8(2) . .
C19 C18 Cs1 55.04(11) . .
C19 C18 Cs2 111.00(13) . 4_576
Cs1 C19 Cs1 137.76(7) . 4_576
C18 C19 Cs1 118.99(13) . 4_576
C18 C19 Cs1 103.19(13) . .
C20 C19 Cs1 75.84(12) . 4_576
C20 C19 Cs1 81.35(13) . .
C20 C19 C18 126.3(2) . .
C20 C19 C24 120.18(19) . .
C24 C19 Cs1 78.86(12) . 4_576
C24 C19 Cs1 82.74(12) . .
C24 C19 C18 113.47(18) . .
Cs1 C20 Cs1 135.71(7) . 4_576
Cs1 C20 H20 111.5 . .
Cs1 C20 H20 112.4 4_576 .
C19 C20 Cs1 79.91(13) . 4_576
C19 C20 Cs1 73.55(12) . .
C19 C20 H20 119.7 . .
C21 C20 Cs1 85.43(14) . .
C21 C20 Cs1 78.30(14) . 4_576
C21 C20 C19 120.5(2) . .
C21 C20 H20 119.7 . .
Cs1 C21 Cs1 128.68(7) 4_576 .
Cs1 C21 H21 117.3 . .
Cs1 C21 H21 113.4 4_576 .
C20 C21 Cs1 77.78(14) . 4_576
C20 C21 Cs1 71.13(13) . .
C20 C21 H21 119.9 . .
C20 C21 C22 120.2(2) . .
C22 C21 Cs1 79.34(13) . 4_576
C22 C21 Cs1 82.30(13) . .
C22 C21 H21 119.9 . .
Cs1 C22 Cs1 124.25(7) 4_576 .
Cs1 C22 H22 115.8 4_576 .
Cs1 C22 H22 119.9 . .
C21 C22 Cs1 74.59(13) . .
C21 C22 Cs1 76.41(13) . 4_576
C21 C22 H22 120.2 . .
C23 C22 Cs1 78.31(13) . 4_576
C23 C22 Cs1 76.40(13) . .
C23 C22 C21 119.7(2) . .
C23 C22 H22 120.2 . .
Cs1 C23 Cs1 125.98(7) 4_576 .
Cs1 C23 H23 119.7 . .
Cs1 C23 H23 114.1 4_576 .
C22 C23 Cs1 81.02(13) . .
C22 C23 Cs1 78.03(13) . 4_576
C22 C23 H23 118.8 . .
C22 C23 C24 122.4(2) . .
C24 C23 Cs1 71.27(12) . .
C24 C23 Cs1 79.33(12) . 4_576
C24 C23 H23 118.8 . .
Cs1 C24 Cs1 130.88(7) . 4_576
Si1 C24 Cs1 112.87(9) . .
Si1 C24 Cs1 113.72(9) . 4_576
C19 C24 Cs1 76.65(12) . 4_576
C19 C24 Cs1 71.83(11) . .
C19 C24 Si1 112.82(15) . .
C23 C24 Cs1 76.72(12) . 4_576
C23 C24 Cs1 85.10(13) . .
C23 C24 Si1 130.17(16) . .
C23 C24 C19 116.96(18) . .
Cs1 C25 Cs2 67.40(5) . .
Cs1 C25 H25A 84.3 . .
Cs1 C25 H25B 154.7 . .
Cs1 C25 H25C 84.2 . .
Cs2 C25 H25A 151.3 . .
Cs2 C25 H25B 98.6 . .
Cs2 C25 H25C 64.5 . .
O1 C25 Cs1 45.20(11) . .
O1 C25 Cs2 53.36(11) . .
O1 C25 H25A 109.5 . .
O1 C25 H25B 109.5 . .
O1 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O1 C26 H26A 109.8 . .
O1 C26 H26B 109.8 . .
O1 C26 C27 109.5(2) . .
H26A C26 H26B 108.2 . .
C27 C26 H26A 109.8 . .
C27 C26 H26B 109.8 . .
O2 C27 C26 109.3(2) . .
O2 C27 H1B 109.8 . .
O2 C27 H27 109.8 . .
C26 C27 H1B 109.8 . .
C26 C27 H27 109.8 . .
H1B C27 H27 108.3 . .
O2 C28 H28A 109.7 . .
O2 C28 H28B 109.7 . .
O2 C28 C29 109.6(2) . .
H28A C28 H28B 108.2 . .
C29 C28 H28A 109.7 . .
C29 C28 H28B 109.7 . .
Cs2 C29 H29A 160.4 . .
Cs2 C29 H29B 70.1 . .
O3 C29 Cs2 55.46(12) . .
O3 C29 C28 109.8(2) . .
O3 C29 H29A 109.7 . .
O3 C29 H29B 109.7 . .
C28 C29 Cs2 88.62(15) . .
C28 C29 H29A 109.7 . .
C28 C29 H29B 109.7 . .
H29A C29 H29B 108.2 . .
O3 C30 H30A 109.5 . .
O3 C30 H30B 109.5 . .
O3 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
Cs2 C31 Cs3 138.10(7) . .
Si2 C31 Cs2 109.95(8) . .
Si2 C31 Cs3 111.28(8) . .
C32 C31 Cs2 81.93(12) . .
C32 C31 Cs3 75.82(12) . .
C32 C31 Si2 132.66(17) . .
C32 C31 C36 118.36(19) . .
C36 C31 Cs2 75.39(11) . .
C36 C31 Cs3 84.57(12) . .
C36 C31 Si2 108.96(15) . .
Cs2 C32 H32 114.5 . .
Cs3 C32 Cs2 136.57(7) . .
Cs3 C32 H32 108.6 . .
C31 C32 Cs2 74.31(11) . .
C31 C32 Cs3 80.59(12) . .
C31 C32 H32 119.3 . .
C33 C32 Cs2 82.26(13) . .
C33 C32 Cs3 81.45(13) . .
C33 C32 C31 121.5(2) . .
C33 C32 H32 119.3 . .
Cs2 C33 H33 116.1 . .
Cs3 C33 Cs2 130.24(7) . .
Cs3 C33 H33 113.2 . .
C32 C33 Cs2 74.95(12) . .
C32 C33 Cs3 75.36(12) . .
C32 C33 H33 120.2 . .
C32 C33 C34 119.5(2) . .
C34 C33 Cs2 79.43(13) . .
C34 C33 Cs3 81.69(13) . .
C34 C33 H33 120.2 . .
Cs2 C34 H34 119.4 . .
Cs3 C34 Cs2 126.73(7) . .
Cs3 C34 H34 113.9 . .
C33 C34 Cs2 77.62(13) . .
C33 C34 Cs3 75.17(12) . .
C33 C34 H34 119.7 . .
C35 C34 Cs2 74.24(13) . .
C35 C34 Cs3 81.66(13) . .
C35 C34 C33 120.6(2) . .
C35 C34 H34 119.7 . .
Cs2 C35 Cs3 128.11(7) . .
Cs2 C35 H35 115.7 . .
Cs3 C35 H35 116.0 . .
C34 C35 Cs2 83.15(13) . .
C34 C35 Cs3 76.22(13) . .
C34 C35 H35 119.5 . .
C34 C35 C36 120.9(2) . .
C36 C35 Cs2 72.05(12) . .
C36 C35 Cs3 78.84(12) . .
C36 C35 H35 119.5 . .
Cs2 C36 Cs3 133.48(6) . .
C31 C36 Cs2 79.42(11) . .
C31 C36 Cs3 71.92(11) . .
C35 C36 Cs2 84.15(12) . .
C35 C36 Cs3 78.87(12) . .
C35 C36 C31 118.89(19) . .
C35 C36 C37 127.04(19) . .
C37 C36 Cs2 101.93(12) . .
C37 C36 Cs3 122.85(13) . .
C37 C36 C31 113.90(19) . .
C36 C37 Cs2 56.71(10) . .
C38 C37 Cs2 111.21(13) . .
C38 C37 C36 125.4(2) . .
C38 C37 C42 118.95(19) . .
C42 C37 Cs2 99.61(12) . .
C42 C37 C36 115.59(18) . .
C37 C38 H38 119.5 . .
C39 C38 C37 120.9(2) . .
C39 C38 H38 119.5 . .
C38 C39 H39 119.7 . .
C38 C39 C40 120.6(2) . .
C40 C39 H39 119.7 . .
C39 C40 H40 120.2 . .
C41 C40 C39 119.5(2) . .
C41 C40 H40 120.2 . .
C40 C41 H41 119.3 . .
C40 C41 C42 121.4(2) . .
C42 C41 H41 119.3 . .
C37 C42 Si2 108.68(15) . .
C41 C42 Si2 132.64(18) . .
C41 C42 C37 118.6(2) . .
C44 C43 Si2 130.78(18) . .
C44 C43 C48 119.1(2) . .
C48 C43 Si2 110.09(15) . .
C43 C44 H44 119.7 . .
C43 C44 C45 120.7(2) . .
C45 C44 H44 119.7 . .
C44 C45 H45 120.1 . .
C46 C45 C44 119.8(2) . .
C46 C45 H45 120.1 . .
C45 C46 H46 119.9 . .
C45 C46 C47 120.3(2) . .
C47 C46 H46 119.9 . .
C46 C47 H47 119.8 . .
C46 C47 C48 120.3(2) . .
C48 C47 H47 119.8 . .
C43 C48 C49 114.85(19) . .
C47 C48 C43 119.9(2) . .
C47 C48 C49 125.3(2) . .
C50 C49 C48 125.5(2) . .
C50 C49 C54 120.4(2) . .
C54 C49 C48 114.13(18) . .
C49 C50 H50 120.4 . .
C51 C50 C49 119.3(2) . .
C51 C50 H50 120.4 . .
C50 C51 H51 119.5 . .
C52 C51 C50 120.9(2) . .
C52 C51 H51 119.5 . .
C51 C52 H52 120.1 . .
C51 C52 C53 119.8(2) . .
C53 C52 H52 120.1 . .
C52 C53 H53 119.7 . .
C52 C53 C54 120.5(2) . .
C54 C53 H53 119.7 . .
C49 C54 Si2 110.76(15) . .
C53 C54 Si2 130.28(17) . .
C53 C54 C49 119.0(2) . .
C58 O4 C55 105.3(3) . .
O4 C55 H55A 110.2 . .
O4 C55 H55B 110.2 . .
O4 C55 C56 107.4(3) . .
H55A C55 H55B 108.5 . .
C56 C55 H55A 110.2 . .
C56 C55 H55B 110.2 . .
C55 C56 H56A 111.1 . .
C55 C56 H56B 111.1 . .
H56A C56 H56B 109.1 . .
C57 C56 C55 103.2(3) . .
C57 C56 H56A 111.1 . .
C57 C56 H56B 111.1 . .
C56 C57 H57A 110.9 . .
C56 C57 H57B 110.9 . .
H57A C57 H57B 108.9 . .
C58 C57 C56 104.2(3) . .
C58 C57 H57A 110.9 . .
C58 C57 H57B 110.9 . .
O4 C58 C57 105.9(4) . .
O4 C58 H58A 110.6 . .
O4 C58 H58B 110.6 . .
C57 C58 H58A 110.6 . .
C57 C58 H58B 110.6 . .
H58A C58 H58B 108.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1 O1 3.0583(19) .
Cs1 C19 3.387(2) 4_575
Cs1 C19 3.194(2) .
Cs1 C20 3.292(2) .
Cs1 C20 3.336(3) 4_575
Cs1 C21 3.468(3) .
Cs1 C21 3.342(3) 4_575
Cs1 C22 3.379(2) 4_575
Cs1 C23 3.508(3) .
Cs1 C23 3.383(2) 4_575
Cs1 C24 3.335(2) .
Cs1 C24 3.415(2) 4_575
Cs2 O1 3.254(2) .
Cs2 O2 3.1180(19) .
Cs2 O3 3.218(2) .
Cs2 C13 3.459(2) 4_575
Cs2 C14 3.492(2) 4_575
Cs2 C16 3.492(3) 4_575
Cs2 C17 3.451(2) 4_575
Cs2 C18 3.397(2) 4_575
Cs2 C31 3.364(2) .
Cs2 C32 3.459(2) .
Cs2 C35 3.463(2) .
Cs2 C36 3.311(2) .
Cs3 C7 3.445(2) 3_777
Cs3 C7 3.304(2) 2_756
Cs3 C8 3.470(3) 2_756
Cs3 C8 3.458(2) 3_777
Cs3 C9 3.524(3) 3_777
Cs3 C11 3.565(3) 3_777
Cs3 C12 3.505(2) 3_777
Cs3 C12 3.388(2) 2_756
Cs3 C31 3.470(2) .
Cs3 C32 3.410(2) .
Cs3 C33 3.485(2) .
Cs3 C34 3.568(2) .
Si1 C1 1.906(2) .
Si1 C12 1.910(2) .
Si1 C13 1.888(2) .
Si1 C24 1.882(2) .
Si2 C31 1.842(2) .
Si2 C42 1.853(2) .
Si2 C43 1.887(2) .
Si2 C54 1.882(2) .
O1 C25 1.425(3) .
O1 C26 1.423(3) .
O2 C27 1.419(3) .
O2 C28 1.422(3) .
O3 C29 1.424(3) .
O3 C30 1.422(4) .
C1 C2 1.404(3) .
C1 C6 1.424(3) .
C2 H2 0.9500 .
C2 C3 1.389(3) .
C3 H3 0.9500 .
C3 C4 1.402(3) .
C4 H4 0.9500 .
C4 C5 1.387(3) .
C5 H5 0.9500 .
C5 C6 1.406(3) .
C6 Cs3 3.867(2) 2_746
C6 C7 1.466(3) .
C7 Cs3 3.304(2) 2_746
C7 Cs3 3.445(2) 3_777
C7 C8 1.402(3) .
C7 C12 1.428(3) .
C8 Cs3 3.470(3) 2_746
C8 Cs3 3.458(2) 3_777
C8 H8 0.9500 .
C8 C9 1.387(3) .
C9 Cs3 3.524(3) 3_777
C9 Cs3 3.692(2) 2_746
C9 H9 0.9500 .
C9 C10 1.404(3) .
C10 Cs3 3.584(3) 3_777
C10 Cs3 3.740(2) 2_746
C10 H10 0.9500 .
C10 C11 1.389(3) .
C11 Cs3 3.584(2) 2_746
C11 Cs3 3.565(3) 3_777
C11 H1A 0.9500 .
C11 C12 1.409(3) .
C12 Cs3 3.505(2) 3_777
C12 Cs3 3.388(2) 2_746
C13 Cs2 3.459(2) 4_576
C13 C14 1.415(3) .
C13 C18 1.442(3) .
C14 Cs2 3.492(2) 4_576
C14 H14 0.9500 .
C14 C15 1.382(3) .
C15 Cs2 3.496(2) 4_576
C15 H15 0.9500 .
C15 C16 1.413(3) .
C16 Cs2 3.492(3) 4_576
C16 H16 0.9500 .
C16 C17 1.380(3) .
C17 Cs2 3.450(2) 4_576
C17 H17 0.9500 .
C17 C18 1.406(3) .
C18 Cs2 3.397(2) 4_576
C18 C19 1.445(3) .
C19 Cs1 3.387(2) 4_576
C19 C20 1.413(3) .
C19 C24 1.443(3) .
C20 Cs1 3.336(3) 4_576
C20 H20 0.9500 .
C20 C21 1.384(3) .
C21 Cs1 3.342(3) 4_576
C21 H21 0.9500 .
C21 C22 1.412(3) .
C22 Cs1 3.379(2) 4_576
C22 H22 0.9500 .
C22 C23 1.386(3) .
C23 Cs1 3.382(2) 4_576
C23 H23 0.9500 .
C23 C24 1.411(3) .
C24 Cs1 3.415(2) 4_576
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C26 C27 1.496(4) .
C27 H1B 0.9900 .
C27 H27 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C28 C29 1.491(4) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.408(3) .
C31 C36 1.456(3) .
C32 H32 0.9500 .
C32 C33 1.388(3) .
C33 H33 0.9500 .
C33 C34 1.417(3) .
C34 H34 0.9500 .
C34 C35 1.383(3) .
C35 H35 0.9500 .
C35 C36 1.405(3) .
C36 C37 1.443(3) .
C37 C38 1.411(3) .
C37 C42 1.433(3) .
C38 H38 0.9500 .
C38 C39 1.374(3) .
C39 H39 0.9500 .
C39 C40 1.406(4) .
C40 H40 0.9500 .
C40 C41 1.388(3) .
C41 H41 0.9500 .
C41 C42 1.405(3) .
C43 C44 1.392(3) .
C43 C48 1.413(3) .
C44 H44 0.9500 .
C44 C45 1.396(3) .
C45 H45 0.9500 .
C45 C46 1.388(4) .
C46 H46 0.9500 .
C46 C47 1.389(4) .
C47 H47 0.9500 .
C47 C48 1.390(3) .
C48 C49 1.492(3) .
C49 C50 1.394(3) .
C49 C54 1.408(3) .
C50 H50 0.9500 .
C50 C51 1.390(4) .
C51 H51 0.9500 .
C51 C52 1.386(4) .
C52 H52 0.9500 .
C52 C53 1.389(3) .
C53 H53 0.9500 .
C53 C54 1.397(3) .
O4 C55 1.421(5) .
O4 C58 1.408(5) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C55 C56 1.526(5) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C56 C57 1.518(5) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C57 C58 1.502(5) .
C58 H58A 0.9900 .
C58 H58B 0.9900 .
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
Cs1 O1 C25 Cs2 93.65(11) . .
Cs1 O1 C26 C27 -29.2(3) . .
Cs1 C18 C19 Cs1 -177.70(16) . 4_576
Cs1 C18 C19 C20 88.9(2) . .
Cs1 C18 C19 C24 -87.72(16) . .
Cs1 C19 C20 Cs1 -144.16(5) . 4_576
Cs1 C19 C20 Cs1 144.16(5) 4_576 .
Cs1 C19 C20 C21 69.9(2) 4_576 .
Cs1 C19 C20 C21 -74.3(2) . .
Cs1 C19 C24 Cs1 141.79(5) . 4_576
Cs1 C19 C24 Cs1 -141.79(5) 4_576 .
Cs1 C19 C24 Si1 110.41(11) 4_576 .
Cs1 C19 C24 Si1 -107.80(11) . .
Cs1 C19 C24 C23 74.47(17) . .
Cs1 C19 C24 C23 -67.32(17) 4_576 .
Cs1 C20 C21 Cs1 138.58(6) 4_576 .
Cs1 C20 C21 Cs1 -138.58(6) . 4_576
Cs1 C20 C21 C22 -68.8(2) . .
Cs1 C20 C21 C22 69.8(2) 4_576 .
Cs1 C21 C22 Cs1 -131.86(5) . 4_576
Cs1 C21 C22 Cs1 131.86(5) 4_576 .
Cs1 C21 C22 C23 -64.04(19) . .
Cs1 C21 C22 C23 67.82(19) 4_576 .
Cs1 C22 C23 Cs1 129.90(5) 4_576 .
Cs1 C22 C23 Cs1 -129.90(5) . 4_576
Cs1 C22 C23 C24 -60.94(19) . .
Cs1 C22 C23 C24 68.96(19) 4_576 .
Cs1 C23 C24 Cs1 -134.04(5) . 4_576
Cs1 C23 C24 Cs1 134.04(5) 4_576 .
Cs1 C23 C24 Si1 115.98(18) . .
Cs1 C23 C24 Si1 -109.98(17) 4_576 .
Cs1 C23 C24 C19 67.28(17) 4_576 .
Cs1 C23 C24 C19 -66.76(16) . .
Cs2 O1 C25 Cs1 -93.65(11) . .
Cs2 O1 C26 C27 68.7(2) . .
Cs2 O2 C27 C26 14.9(3) . .
Cs2 O2 C28 C29 -13.4(3) . .
Cs2 O3 C29 C28 -73.8(2) . .
Cs2 C13 C14 C15 67.36(19) 4_576 .
Cs2 C13 C18 Cs1 167.49(8) 4_576 .
Cs2 C13 C18 C17 -72.47(18) 4_576 .
Cs2 C13 C18 C19 108.79(16) 4_576 .
Cs2 C14 C15 C16 68.91(19) 4_576 .
Cs2 C15 C16 C17 67.43(19) 4_576 .
Cs2 C16 C17 C18 67.23(18) 4_576 .
Cs2 C17 C18 Cs1 -166.43(7) 4_576 .
Cs2 C17 C18 C13 72.46(17) 4_576 .
Cs2 C17 C18 C19 -109.0(2) 4_576 .
Cs2 C18 C19 Cs1 5.73(16) 4_576 4_576
Cs2 C18 C19 Cs1 -176.56(6) 4_576 .
Cs2 C18 C19 C20 -87.7(2) 4_576 .
Cs2 C18 C19 C24 95.71(17) 4_576 .
Cs2 C31 C32 Cs3 -144.21(5) . .
Cs2 C31 C32 C33 -70.36(19) . .
Cs2 C31 C36 Cs3 142.88(5) . .
Cs2 C31 C36 C35 77.21(17) . .
Cs2 C31 C36 C37 -98.47(15) . .
Cs2 C32 C33 Cs3 -139.61(5) . .
Cs2 C32 C33 C34 -68.25(19) . .
Cs2 C33 C34 Cs3 -133.74(5) . .
Cs2 C33 C34 C35 -63.07(19) . .
Cs2 C34 C35 Cs3 -132.02(5) . .
Cs2 C34 C35 C36 -64.30(18) . .
Cs2 C35 C36 Cs3 -136.48(5) . .
Cs2 C35 C36 C31 -74.50(16) . .
Cs2 C35 C36 C37 100.6(2) . .
Cs2 C36 C37 C38 93.7(2) . .
Cs2 C36 C37 C42 -84.66(17) . .
Cs2 C37 C38 C39 -112.78(19) . .
Cs2 C37 C42 Si2 -63.93(12) . .
Cs2 C37 C42 C41 119.02(17) . .
Cs3 Si1 C13 Cs2 144.59(6) 2_746 4_576
Cs3 Si1 C13 C14 44.4(2) 2_746 .
Cs3 Si1 C13 C18 -130.59(14) 2_746 .
Cs3 Si1 C24 Cs1 -172.79(2) 2_746 4_576
Cs3 Si1 C24 Cs1 23.23(12) 2_746 .
Cs3 Si1 C24 C19 102.30(15) 2_746 .
Cs3 Si1 C24 C23 -80.4(2) 2_746 .
Cs3 C6 C7 Cs3 174.78(14) 2_746 3_777
Cs3 C6 C7 C8 -91.7(2) 2_746 .
Cs3 C6 C7 C12 84.98(16) 2_746 .
Cs3 C7 C8 Cs3 148.09(5) 2_746 3_777
Cs3 C7 C8 Cs3 -148.09(5) 3_777 2_746
Cs3 C7 C8 C9 76.1(2) 2_746 .
Cs3 C7 C8 C9 -72.0(2) 3_777 .
Cs3 C7 C12 Cs3 149.27(5) 3_777 2_746
Cs3 C7 C12 Cs3 -149.27(5) 2_746 3_777
Cs3 C7 C12 Si1 -115.76(12) 3_777 .
Cs3 C7 C12 Si1 94.98(11) 2_746 .
Cs3 C7 C12 C11 -77.41(17) 2_746 .
Cs3 C7 C12 C11 71.85(17) 3_777 .
Cs3 C8 C9 Cs3 -137.19(6) 3_777 2_746
Cs3 C8 C9 Cs3 137.19(6) 2_746 3_777
Cs3 C8 C9 C10 -70.7(2) 3_777 .
Cs3 C8 C9 C10 66.5(2) 2_746 .
Cs3 C9 C10 Cs3 -128.60(5) 3_777 2_746
Cs3 C9 C10 Cs3 128.60(5) 2_746 3_777
Cs3 C9 C10 C11 -67.3(2) 3_777 .
Cs3 C9 C10 C11 61.3(2) 2_746 .
Cs3 C10 C11 Cs3 129.89(5) 2_746 3_777
Cs3 C10 C11 Cs3 -129.89(5) 3_777 2_746
Cs3 C10 C11 C12 63.74(19) 2_746 .
Cs3 C10 C11 C12 -66.2(2) 3_777 .
Cs3 C11 C12 Cs3 139.27(5) 2_746 3_777
Cs3 C11 C12 Cs3 -139.27(5) 3_777 2_746
Cs3 C11 C12 Si1 120.15(17) 3_777 .
Cs3 C11 C12 Si1 -100.58(17) 2_746 .
Cs3 C11 C12 C7 70.38(16) 2_746 .
Cs3 C11 C12 C7 -68.89(16) 3_777 .
Cs3 C31 C32 Cs2 144.21(5) . .
Cs3 C31 C32 C33 73.85(19) . .
Cs3 C31 C36 Cs2 -142.88(5) . .
Cs3 C31 C36 C35 -65.67(18) . .
Cs3 C31 C36 C37 118.65(15) . .
Cs3 C32 C33 Cs2 139.61(5) . .
Cs3 C32 C33 C34 71.36(19) . .
Cs3 C33 C34 Cs2 133.74(5) . .
Cs3 C33 C34 C35 70.67(19) . .
Cs3 C34 C35 Cs2 132.02(5) . .
Cs3 C34 C35 C36 67.72(19) . .
Cs3 C35 C36 Cs2 136.48(5) . .
Cs3 C35 C36 C31 61.98(16) . .
Cs3 C35 C36 C37 -123.0(2) . .
Cs3 C36 C37 Cs2 166.82(16) . .
Cs3 C36 C37 C38 -99.5(2) . .
Cs3 C36 C37 C42 82.2(2) . .
Si1 C1 C2 C3 -177.23(17) . .
Si1 C1 C6 Cs3 -62.85(12) . 2_746
Si1 C1 C6 C5 175.49(15) . .
Si1 C1 C6 C7 -7.8(2) . .
Si1 C13 C14 Cs2 117.17(18) . 4_576
Si1 C13 C14 C15 -175.47(17) . .
Si1 C13 C18 Cs1 53.63(14) . .
Si1 C13 C18 Cs2 -113.86(11) . 4_576
Si1 C13 C18 C17 173.68(16) . .
Si1 C13 C18 C19 -5.1(2) . .
Si2 C31 C32 Cs2 -109.75(18) . .
Si2 C31 C32 Cs3 106.04(18) . .
Si2 C31 C32 C33 179.88(17) . .
Si2 C31 C36 Cs2 106.46(10) . .
Si2 C31 C36 Cs3 -110.67(11) . .
Si2 C31 C36 C35 -176.33(15) . .
Si2 C31 C36 C37 8.0(2) . .
Si2 C43 C44 C45 -177.67(18) . .
Si2 C43 C48 C47 178.57(17) . .
Si2 C43 C48 C49 -2.0(2) . .
O1 C26 C27 O2 -57.0(3) . .
O2 C28 C29 Cs2 9.30(18) . .
O2 C28 C29 O3 61.6(3) . .
C1 Si1 C13 Cs2 65.81(10) . 4_576
C1 Si1 C13 C14 -34.4(2) . .
C1 Si1 C13 C18 150.63(14) . .
C1 Si1 C24 Cs1 -23.3(2) . 4_576
C1 Si1 C24 Cs1 172.73(13) . .
C1 Si1 C24 C19 -108.2(2) . .
C1 Si1 C24 C23 69.1(3) . .
C1 C2 C3 C4 1.9(3) . .
C1 C6 C7 Cs3 -77.66(17) . 2_746
C1 C6 C7 Cs3 97.12(17) . 3_777
C1 C6 C7 C8 -169.4(2) . .
C1 C6 C7 C12 7.3(2) . .
C2 C1 C6 Cs3 119.58(17) . 2_746
C2 C1 C6 C5 -2.1(3) . .
C2 C1 C6 C7 174.63(18) . .
C2 C3 C4 C5 -1.4(3) . .
C3 C4 C5 C6 -0.8(3) . .
C4 C5 C6 Cs3 -107.98(19) . 2_746
C4 C5 C6 C1 2.6(3) . .
C4 C5 C6 C7 -173.76(19) . .
C5 C6 C7 Cs3 -86.3(2) . 3_777
C5 C6 C7 Cs3 98.90(19) . 2_746
C5 C6 C7 C8 7.2(3) . .
C5 C6 C7 C12 -176.12(19) . .
C6 C1 C2 C3 -0.1(3) . .
C6 C7 C8 Cs3 100.2(2) . 2_746
C6 C7 C8 Cs3 -111.7(2) . 3_777
C6 C7 C8 C9 176.2(2) . .
C6 C7 C12 Cs3 -98.47(15) . 2_746
C6 C7 C12 Cs3 112.26(16) . 3_777
C6 C7 C12 Si1 -3.5(2) . .
C6 C7 C12 C11 -175.89(18) . .
C7 C8 C9 Cs3 -67.04(19) . 2_746
C7 C8 C9 Cs3 70.15(19) . 3_777
C7 C8 C9 C10 -0.6(3) . .
C8 C7 C12 Cs3 78.44(18) . 2_746
C8 C7 C12 Cs3 -70.83(18) . 3_777
C8 C7 C12 Si1 173.42(16) . .
C8 C7 C12 C11 1.0(3) . .
C8 C9 C10 Cs3 -60.7(2) . 2_746
C8 C9 C10 Cs3 67.9(2) . 3_777
C8 C9 C10 C11 0.6(3) . .
C9 C10 C11 Cs3 -63.6(2) . 2_746
C9 C10 C11 Cs3 66.3(2) . 3_777
C9 C10 C11 C12 0.2(3) . .
C10 C11 C12 Cs3 -71.4(2) . 2_746
C10 C11 C12 Cs3 67.9(2) . 3_777
C10 C11 C12 Si1 -171.95(17) . .
C10 C11 C12 C7 -1.0(3) . .
C12 Si1 C13 Cs2 170.31(13) . 4_576
C12 Si1 C13 C14 70.1(3) . .
C12 Si1 C13 C18 -104.9(2) . .
C12 Si1 C24 Cs1 -123.54(9) . 4_576
C12 Si1 C24 Cs1 72.47(10) . .
C12 Si1 C24 C19 151.54(15) . .
C12 Si1 C24 C23 -31.1(2) . .
C12 C7 C8 Cs3 71.76(18) . 3_777
C12 C7 C8 Cs3 -76.33(18) . 2_746
C12 C7 C8 C9 -0.3(3) . .
C13 Si1 C24 Cs1 -76.08(9) . .
C13 Si1 C24 Cs1 87.91(10) . 4_576
C13 Si1 C24 C19 2.99(15) . .
C13 Si1 C24 C23 -179.7(2) . .
C13 C14 C15 Cs2 -66.45(19) . 4_576
C13 C14 C15 C16 2.5(3) . .
C13 C18 C19 Cs1 95.21(16) . .
C13 C18 C19 Cs1 -82.49(18) . 4_576
C13 C18 C19 C20 -175.9(2) . .
C13 C18 C19 C24 7.5(3) . .
C14 C13 C18 Cs1 -122.17(16) . .
C14 C13 C18 Cs2 70.35(16) . 4_576
C14 C13 C18 C17 -2.1(3) . .
C14 C13 C18 C19 179.14(18) . .
C14 C15 C16 Cs2 -69.05(19) . 4_576
C14 C15 C16 C17 -1.6(3) . .
C15 C16 C17 Cs2 -68.31(19) . 4_576
C15 C16 C17 C18 -1.1(3) . .
C16 C17 C18 Cs1 124.10(18) . .
C16 C17 C18 Cs2 -69.47(19) . 4_576
C16 C17 C18 C13 3.0(3) . .
C16 C17 C18 C19 -178.4(2) . .
C17 C18 C19 Cs1 -83.5(2) . .
C17 C18 C19 Cs1 98.8(2) . 4_576
C17 C18 C19 C20 5.4(3) . .
C17 C18 C19 C24 -171.18(19) . .
C18 C13 C14 Cs2 -67.95(16) . 4_576
C18 C13 C14 C15 -0.6(3) . .
C18 C19 C20 Cs1 115.8(2) . 4_576
C18 C19 C20 Cs1 -100.1(2) . .
C18 C19 C20 C21 -174.3(2) . .
C18 C19 C24 Cs1 101.27(16) . .
C18 C19 C24 Cs1 -116.94(16) . 4_576
C18 C19 C24 Si1 -6.5(2) . .
C18 C19 C24 C23 175.74(18) . .
C19 C20 C21 Cs1 -70.73(19) . 4_576
C19 C20 C21 Cs1 67.85(19) . .
C19 C20 C21 C22 -0.9(3) . .
C20 C19 C24 Cs1 -75.55(18) . .
C20 C19 C24 Cs1 66.24(18) . 4_576
C20 C19 C24 Si1 176.65(16) . .
C20 C19 C24 C23 -1.1(3) . .
C20 C21 C22 Cs1 -69.0(2) . 4_576
C20 C21 C22 Cs1 62.9(2) . .
C20 C21 C22 C23 -1.2(3) . .
C21 C22 C23 Cs1 -66.80(19) . 4_576
C21 C22 C23 Cs1 63.10(19) . .
C21 C22 C23 C24 2.2(3) . .
C22 C23 C24 Cs1 -68.3(2) . 4_576
C22 C23 C24 Cs1 65.7(2) . .
C22 C23 C24 Si1 -178.27(17) . .
C22 C23 C24 C19 -1.0(3) . .
C24 Si1 C13 Cs2 -83.67(10) . 4_576
C24 Si1 C13 C14 176.2(2) . .
C24 Si1 C13 C18 1.15(15) . .
C24 C19 C20 Cs1 76.33(18) . .
C24 C19 C20 Cs1 -67.83(18) . 4_576
C24 C19 C20 C21 2.0(3) . .
C25 O1 C26 C27 -175.3(2) . .
C26 O1 C25 Cs1 149.3(2) . .
C26 O1 C25 Cs2 -117.03(19) . .
C27 O2 C28 C29 175.6(2) . .
C28 O2 C27 C26 -174.55(19) . .
C30 O3 C29 Cs2 -133.1(3) . .
C30 O3 C29 C28 153.1(2) . .
C31 Si2 C42 C37 9.09(15) . .
C31 Si2 C42 C41 -174.4(2) . .
C31 Si2 C43 C44 57.5(2) . .
C31 Si2 C43 C48 -119.20(16) . .
C31 Si2 C54 C49 116.62(16) . .
C31 Si2 C54 C53 -62.6(2) . .
C31 C32 C33 Cs2 66.22(18) . .
C31 C32 C33 Cs3 -73.39(18) . .
C31 C32 C33 C34 -2.0(3) . .
C31 C36 C37 Cs2 83.60(16) . .
C31 C36 C37 C38 177.25(19) . .
C31 C36 C37 C42 -1.1(3) . .
C32 C31 C36 Cs2 -72.20(17) . .
C32 C31 C36 Cs3 70.67(17) . .
C32 C31 C36 C35 5.0(3) . .
C32 C31 C36 C37 -170.68(18) . .
C32 C33 C34 Cs2 65.84(19) . .
C32 C33 C34 Cs3 -67.90(18) . .
C32 C33 C34 C35 2.8(3) . .
C33 C34 C35 Cs2 64.8(2) . .
C33 C34 C35 Cs3 -67.21(19) . .
C33 C34 C35 C36 0.5(3) . .
C34 C35 C36 Cs2 70.12(19) . .
C34 C35 C36 Cs3 -66.36(19) . .
C34 C35 C36 C31 -4.4(3) . .
C34 C35 C36 C37 170.7(2) . .
C35 C36 C37 Cs2 -91.7(2) . .
C35 C36 C37 C38 2.0(3) . .
C35 C36 C37 C42 -176.3(2) . .
C36 C31 C32 Cs2 68.53(16) . .
C36 C31 C32 Cs3 -75.68(17) . .
C36 C31 C32 C33 -1.8(3) . .
C36 C37 C38 C39 -176.3(2) . .
C36 C37 C42 Si2 -6.4(2) . .
C36 C37 C42 C41 176.60(18) . .
C37 C38 C39 C40 -0.3(3) . .
C38 C37 C42 Si2 175.22(15) . .
C38 C37 C42 C41 -1.8(3) . .
C38 C39 C40 C41 -1.5(3) . .
C39 C40 C41 C42 1.7(3) . .
C40 C41 C42 Si2 -176.20(18) . .
C40 C41 C42 C37 0.0(3) . .
C42 Si2 C31 Cs2 71.19(9) . .
C42 Si2 C31 Cs3 -101.18(9) . .
C42 Si2 C31 C32 168.7(2) . .
C42 Si2 C31 C36 -9.66(15) . .
C42 Si2 C43 C44 -58.0(3) . .
C42 Si2 C43 C48 125.28(16) . .
C42 Si2 C54 C49 -136.25(15) . .
C42 Si2 C54 C53 44.6(2) . .
C42 C37 C38 C39 2.0(3) . .
C43 Si2 C31 Cs2 -62.43(11) . .
C43 Si2 C31 Cs3 125.20(9) . .
C43 Si2 C31 C32 35.1(2) . .
C43 Si2 C31 C36 -143.28(14) . .
C43 Si2 C42 C37 135.88(15) . .
C43 Si2 C42 C41 -47.6(3) . .
C43 Si2 C54 C49 -5.21(16) . .
C43 Si2 C54 C53 175.6(2) . .
C43 C44 C45 C46 0.1(4) . .
C43 C48 C49 C50 178.8(2) . .
C43 C48 C49 C54 -2.1(3) . .
C44 C43 C48 C47 1.4(3) . .
C44 C43 C48 C49 -179.16(19) . .
C44 C45 C46 C47 0.7(4) . .
C45 C46 C47 C48 -0.5(4) . .
C46 C47 C48 C43 -0.6(3) . .
C46 C47 C48 C49 -180.0(2) . .
C47 C48 C49 C50 -1.8(4) . .
C47 C48 C49 C54 177.3(2) . .
C48 C43 C44 C45 -1.2(3) . .
C48 C49 C50 C51 176.5(2) . .
C48 C49 C54 Si2 5.2(2) . .
C48 C49 C54 C53 -175.54(19) . .
C49 C50 C51 C52 -0.8(3) . .
C50 C49 C54 Si2 -175.73(17) . .
C50 C49 C54 C53 3.6(3) . .
C50 C51 C52 C53 3.0(3) . .
C51 C52 C53 C54 -1.9(3) . .
C52 C53 C54 Si2 177.79(17) . .
C52 C53 C54 C49 -1.3(3) . .
C54 Si2 C31 Cs2 -169.12(8) . .
C54 Si2 C31 Cs3 18.51(13) . .
C54 Si2 C31 C32 -71.6(2) . .
C54 Si2 C31 C36 110.03(15) . .
C54 Si2 C42 C37 -114.28(15) . .
C54 Si2 C42 C41 62.2(2) . .
C54 Si2 C43 C44 -179.2(2) . .
C54 Si2 C43 C48 4.00(16) . .
C54 C49 C50 C51 -2.5(3) . .
O4 C55 C56 C57 12.9(3) . .
C55 O4 C58 C57 38.7(4) . .
C55 C56 C57 C58 9.8(3) . .
C56 C57 C58 O4 -29.8(4) . .
C58 O4 C55 C56 -32.2(4) . .
