# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_mx3431_sq
_database_code_depnum_ccdc_archive 'CCDC 1058255'
_audit_update_record             
;
2015-04-07 deposited with the CCDC.
2015-06-12 downloaded from the CCDC.
;
_audit_creation_date             2014-12-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C46 H42 Br2 O2 Si2'
_chemical_formula_sum            'C46 H42 Br2 O2 Si2'
_chemical_formula_weight         842.79
_chemical_melting_point          ?
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'
Br Br -0.2901 2.4595 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.917(3)
_cell_length_b                   15.959(4)
_cell_length_c                   25.657(5)
_cell_angle_alpha                72.399(15)
_cell_angle_beta                 76.618(15)
_cell_angle_gamma                71.646(12)
_cell_volume                     4364.2(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    11310
_cell_measurement_temperature    173.1500
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      1.6846
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.947
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5226
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0768
_diffrn_reflns_av_unetI/netI     0.0803
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            50951
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         1.433
_diffrn_ambient_temperature      173.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_device_details 
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'MM007-HF CCD(Saturn 724+)'
_diffrn_measurement_method       'ω scans at fixed χ = 45°'
_diffrn_number_total             19928
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.0255
_diffrn_orient_matrix_UB_12      0.0809
_diffrn_orient_matrix_UB_13      0.0284
_diffrn_orient_matrix_UB_21      -0.0649
_diffrn_orient_matrix_UB_22      -0.0064
_diffrn_orient_matrix_UB_23      0.0197
_diffrn_orient_matrix_UB_31      0.0213
_diffrn_orient_matrix_UB_32      -0.0231
_diffrn_orient_matrix_UB_33      0.0270
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0000
_diffrn_source_power             1.2000
_diffrn_source_voltage           50.0000
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15778
_reflns_number_total             19925
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2013)'
_computing_structure_solution    
;
'SHELXS (Sheldrick, 2013)'
;
_refine_diff_density_max         1.100
_refine_diff_density_min         -0.648
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     953
_refine_ls_number_reflns         19925
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0741
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0731P)²+4.8278P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1773
_refine_ls_wR_factor_ref         0.1898
_refine_special_details          
;
 ?
;
_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(H27A,H27B), C43(H43A,H43B), C44(H44A,H44B), C26A(H26C,
 H26D), C27A(H27C,H27D), C43A(H43C,H43D), C44A(H44C,H44D)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C10(H10), C29(H29), C30(H30),
 C40(H40), C41(H41), C2A(H2A), C3A(H3A), C4A(H4A), C5A(H5A), C7A(H7A),
 C10A(H10A), C29A(H29A), C30A(H30A), C40A(H40A), C41A(H41A)
2.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C35(H35A,H35B,H35C), C46(H46A,
 H46B,H46C), C17A(H17D,H17E,H17F), C18A(H18D,H18E,H18F), C19A(H19D,H19E,H19F),
 C22A(H22D,H22E,H22F), C23A(H23D,H23E,H23F), C24A(H24D,H24E,H24F), C35A(H35D,
 H35E,H35F), C46A(H46D,H46E,H46F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Br1 Br 0.85159(3) 0.54199(3) 0.41600(2) 0.04116(12) Uani 1 1 d . . . . .
Br2 Br 0.51421(3) 0.82162(3) 0.43749(2) 0.04267(12) Uani 1 1 d . . . . .
Si1 Si 0.99833(13) 0.77271(11) 0.67907(6) 0.0566(4) Uani 1 1 d . . . . .
Si2 Si 1.1834(2) 0.94878(14) 0.20290(8) 0.0789(5) Uani 1 1 d . . . . .
O1 O 0.3863(3) 0.6841(2) 0.49362(14) 0.0505(8) Uani 1 1 d . . . . .
O2 O 0.6986(3) 0.5325(2) 0.34576(15) 0.0512(8) Uani 1 1 d . . . . .
C1 C 1.2431(4) 0.9856(3) 0.4211(3) 0.0613(15) Uani 1 1 d . . . . .
C2 C 1.3285(5) 1.0378(4) 0.3967(4) 0.087(2) Uani 1 1 d . . . . .
H2 H 1.3499 1.0526 0.3585 0.104 Uiso 1 1 calc R . . . .
C3 C 1.3792(6) 1.0664(5) 0.4284(4) 0.098(3) Uani 1 1 d . . . . .
H3 H 1.4353 1.0996 0.4116 0.118 Uiso 1 1 calc R . . . .
C4 C 1.3479(5) 1.0463(5) 0.4863(4) 0.089(2) Uani 1 1 d . . . . .
H4 H 1.3825 1.0670 0.5073 0.107 Uiso 1 1 calc R . . . .
C5 C 1.2667(5) 0.9964(4) 0.5121(4) 0.083(2) Uani 1 1 d . . . . .
H5 H 1.2465 0.9831 0.5504 0.100 Uiso 1 1 calc R . . . .
C6 C 1.2127(4) 0.9644(4) 0.4796(3) 0.0620(16) Uani 1 1 d . . . . .
C7 C 1.1867(4) 0.9589(3) 0.3904(3) 0.0594(14) Uani 1 1 d . . . . .
H7 H 1.2052 0.9747 0.3521 0.071 Uiso 1 1 calc R . . . .
C8 C 1.1016(4) 0.9083(3) 0.4149(2) 0.0471(11) Uani 1 1 d . . . . .
C9 C 1.0759(4) 0.8821(3) 0.4740(2) 0.0472(11) Uani 1 1 d . . . . .
C10 C 1.1313(4) 0.9121(4) 0.5049(3) 0.0573(14) Uani 1 1 d . . . . .
H10 H 1.1133 0.8969 0.5433 0.069 Uiso 1 1 calc R . . . .
C11 C 1.0354(4) 0.8874(3) 0.3824(2) 0.0455(10) Uani 1 1 d . . . . .
C12 C 0.9488(4) 0.8382(3) 0.40923(19) 0.0400(9) Uani 1 1 d . . . . .
C13 C 0.9390(3) 0.7970(3) 0.46783(18) 0.0378(9) Uani 1 1 d . . . . .
C14 C 0.9976(4) 0.8232(3) 0.5001(2) 0.0430(10) Uani 1 1 d . . . . .
C15 C 1.0733(4) 0.9105(3) 0.3240(2) 0.0519(12) Uani 1 1 d . . . . .
C16 C 1.1169(4) 0.9290(4) 0.2759(2) 0.0573(13) Uani 1 1 d . . . . .
C17 C 1.3470(8) 0.9268(10) 0.2006(4) 0.176(6) Uani 1 1 d . . . . .
H17A H 1.3614 0.9688 0.2166 0.264 Uiso 1 1 calc GR . . . .
H17B H 1.3856 0.9347 0.1628 0.264 Uiso 1 1 calc GR . . . .
H17C H 1.3785 0.8656 0.2210 0.264 Uiso 1 1 calc GR . . . .
C18 C 1.1164(13) 1.0682(6) 0.1664(3) 0.171(6) Uani 1 1 d . . . . .
H18A H 1.0313 1.0833 0.1776 0.257 Uiso 1 1 calc GR . . . .
H18B H 1.1339 1.0744 0.1272 0.257 Uiso 1 1 calc GR . . . .
H18C H 1.1493 1.1087 0.1756 0.257 Uiso 1 1 calc GR . . . .
C19 C 1.1507(8) 0.8707(5) 0.1726(3) 0.100(2) Uani 1 1 d . . . . .
H19A H 1.1747 0.8095 0.1948 0.149 Uiso 1 1 calc GR . . . .
H19B H 1.1938 0.8745 0.1358 0.149 Uiso 1 1 calc GR . . . .
H19C H 1.0664 0.8871 0.1715 0.149 Uiso 1 1 calc GR . . . .
C20 C 0.9813(4) 0.7997(4) 0.5589(2) 0.0507(12) Uani 1 1 d . . . . .
C21 C 0.9780(4) 0.7897(4) 0.6083(2) 0.0570(13) Uani 1 1 d . . . . .
C22 C 1.0989(6) 0.8419(5) 0.6765(3) 0.0825(19) Uani 1 1 d . . . . .
H22A H 1.1739 0.8219 0.6542 0.124 Uiso 1 1 calc GR . . . .
H22B H 1.1121 0.8348 0.7133 0.124 Uiso 1 1 calc GR . . . .
H22C H 1.0629 0.9049 0.6607 0.124 Uiso 1 1 calc GR . . . .
C23 C 1.0687(5) 0.6505(4) 0.7048(3) 0.0763(17) Uani 1 1 d . . . . .
H23A H 1.0113 0.6165 0.7108 0.114 Uiso 1 1 calc GR . . . .
H23B H 1.0965 0.6407 0.7389 0.114 Uiso 1 1 calc GR . . . .
H23C H 1.1351 0.6306 0.6780 0.114 Uiso 1 1 calc GR . . . .
C24 C 0.8529(6) 0.8109(4) 0.7214(2) 0.0710(16) Uani 1 1 d . . . . .
H24A H 0.8228 0.8758 0.7089 0.107 Uiso 1 1 calc GR . . . .
H24B H 0.8634 0.7953 0.7595 0.107 Uiso 1 1 calc GR . . . .
H24C H 0.7972 0.7815 0.7178 0.107 Uiso 1 1 calc GR . . . .
C25 C 0.8724(3) 0.8242(3) 0.37799(18) 0.0381(9) Uani 1 1 d . . . . .
C26 C 0.8541(4) 0.8811(3) 0.31930(19) 0.0462(10) Uani 1 1 d . . . . .
H26A H 0.8674 0.9403 0.3137 0.055 Uiso 1 1 calc R . . . .
H26B H 0.9110 0.8508 0.2926 0.055 Uiso 1 1 calc R . . . .
C27 C 0.7274(4) 0.8927(3) 0.3110(2) 0.0485(11) Uani 1 1 d . . . . .
H27A H 0.6705 0.9243 0.3371 0.058 Uiso 1 1 calc R . . . .
H27B H 0.7150 0.9288 0.2739 0.058 Uiso 1 1 calc R . . . .
C28 C 0.7084(4) 0.8009(3) 0.31972(19) 0.0423(10) Uani 1 1 d . . . . .
C29 C 0.6565(4) 0.7792(3) 0.28490(19) 0.0457(10) Uani 1 1 d . . . . .
H29 H 0.6266 0.8244 0.2550 0.055 Uiso 1 1 calc R . . . .
C30 C 0.6473(4) 0.6915(3) 0.2931(2) 0.0479(11) Uani 1 1 d . . . . .
H30 H 0.6069 0.6792 0.2705 0.057 Uiso 1 1 calc R . . . .
C31 C 0.6988(4) 0.6222(3) 0.33526(19) 0.0421(10) Uani 1 1 d . . . . .
C32 C 0.7553(3) 0.6431(3) 0.36969(18) 0.0386(9) Uani 1 1 d . . . . .
C33 C 0.7538(3) 0.7334(3) 0.36498(17) 0.0358(8) Uani 1 1 d . . . . .
C34 C 0.8045(3) 0.7621(3) 0.40235(17) 0.0356(8) Uani 1 1 d . . . . .
C35 C 0.6405(5) 0.5102(4) 0.3114(2) 0.0616(14) Uani 1 1 d . . . . .
H35A H 0.6820 0.5210 0.2742 0.092 Uiso 1 1 calc GR . . . .
H35B H 0.5595 0.5473 0.3121 0.092 Uiso 1 1 calc GR . . . .
H35C H 0.6407 0.4471 0.3247 0.092 Uiso 1 1 calc GR . . . .
C36 C 0.7912(3) 0.7247(3) 0.46193(18) 0.0371(9) Uani 1 1 d . . . . .
C37 C 0.6982(3) 0.6755(3) 0.49196(17) 0.0359(8) Uani 1 1 d . . . . .
C38 C 0.5795(3) 0.7035(3) 0.48099(17) 0.0378(9) Uani 1 1 d . . . . .
C39 C 0.4992(4) 0.6504(3) 0.50799(18) 0.0424(10) Uani 1 1 d . . . . .
C40 C 0.5347(4) 0.5708(3) 0.5485(2) 0.0490(11) Uani 1 1 d . . . . .
H40 H 0.4840 0.5331 0.5649 0.059 Uiso 1 1 calc R . . . .
C41 C 0.6469(4) 0.5485(3) 0.56403(19) 0.0479(11) Uani 1 1 d . . . . .
H41 H 0.6684 0.4982 0.5931 0.057 Uiso 1 1 calc R . . . .
C42 C 0.7273(4) 0.6005(3) 0.53658(18) 0.0409(9) Uani 1 1 d . . . . .
C43 C 0.8461(4) 0.5833(3) 0.55376(19) 0.0455(10) Uani 1 1 d . . . . .
H43A H 0.9090 0.5513 0.5296 0.055 Uiso 1 1 calc R . . . .
H43B H 0.8470 0.5454 0.5913 0.055 Uiso 1 1 calc R . . . .
C44 C 0.8681(4) 0.6729(3) 0.55059(19) 0.0481(11) Uani 1 1 d . . . . .
H44A H 0.9457 0.6617 0.5610 0.058 Uiso 1 1 calc R . . . .
H44B H 0.8078 0.7028 0.5765 0.058 Uiso 1 1 calc R . . . .
C45 C 0.8641(3) 0.7347(3) 0.49270(18) 0.0377(9) Uani 1 1 d . . . . .
C46 C 0.3012(4) 0.6329(4) 0.5223(2) 0.0609(14) Uani 1 1 d . . . . .
H46A H 0.2274 0.6612 0.5075 0.091 Uiso 1 1 calc GR . . . .
H46B H 0.2873 0.6311 0.5609 0.091 Uiso 1 1 calc GR . . . .
H46C H 0.3318 0.5719 0.5176 0.091 Uiso 1 1 calc GR . . . .
Br1A Br 0.23296(4) 0.40280(3) 0.29335(2) 0.05165(13) Uani 1 1 d . . . . .
Br2A Br 0.44608(4) 0.64725(4) 0.20326(2) 0.04802(13) Uani 1 1 d . . . . .
Si1A Si -0.18497(15) 0.93294(12) 0.06683(7) 0.0685(4) Uani 1 1 d . . . . .
Si2A Si 0.4800(2) 0.24874(13) -0.00574(10) 0.0948(7) Uani 1 1 d . . . . .
O1A O 0.3765(3) 0.6823(3) 0.31333(14) 0.0537(8) Uani 1 1 d . . . . .
O2A O 0.4447(3) 0.3102(2) 0.34667(14) 0.0563(9) Uani 1 1 d . . . . .
C1A C 0.0665(5) 0.5599(4) -0.0736(2) 0.0541(12) Uani 1 1 d . . . . .
C2A C 0.0587(6) 0.5245(4) -0.1180(2) 0.0667(15) Uani 1 1 d . . . . .
H2A H 0.1152 0.4724 -0.1255 0.080 Uiso 1 1 calc R . . . .
C3A C -0.0309(7) 0.5672(5) -0.1485(3) 0.0798(19) Uani 1 1 d . . . . .
H3A H -0.0363 0.5433 -0.1764 0.096 Uiso 1 1 calc R . . . .
C4A C -0.1160(7) 0.6469(5) -0.1390(3) 0.082(2) Uani 1 1 d . . . . .
H4A H -0.1770 0.6743 -0.1606 0.099 Uiso 1 1 calc R . . . .
C5A C -0.1115(5) 0.6848(4) -0.0989(2) 0.0680(15) Uani 1 1 d . . . . .
H5A H -0.1683 0.7381 -0.0936 0.082 Uiso 1 1 calc R . . . .
C6A C -0.0189(5) 0.6425(4) -0.0649(2) 0.0565(13) Uani 1 1 d . . . . .
C7A C 0.1526(5) 0.5169(4) -0.0401(2) 0.0540(12) Uani 1 1 d . . . . .
H7A H 0.2080 0.4635 -0.0462 0.065 Uiso 1 1 calc R . . . .
C8A C 0.1604(4) 0.5507(3) 0.00357(18) 0.0447(10) Uani 1 1 d . . . . .
C9A C 0.0733(4) 0.6317(3) 0.01354(19) 0.0471(10) Uani 1 1 d . . . . .
C10A C -0.0122(4) 0.6769(4) -0.0221(2) 0.0535(12) Uani 1 1 d . . . . .
H10A H -0.0662 0.7314 -0.0170 0.064 Uiso 1 1 calc R . . . .
C11A C 0.2540(4) 0.5074(3) 0.03682(19) 0.0457(10) Uani 1 1 d . . . . .
C12A C 0.2540(4) 0.5384(3) 0.08298(18) 0.0428(10) Uani 1 1 d . . . . .
C13A C 0.1510(4) 0.6083(3) 0.09957(19) 0.0424(10) Uani 1 1 d . . . . .
C14A C 0.0717(4) 0.6601(3) 0.0613(2) 0.0455(10) Uani 1 1 d . . . . .
C15A C 0.3370(4) 0.4256(4) 0.0251(2) 0.0516(11) Uani 1 1 d . . . . .
C16A C 0.3957(5) 0.3556(4) 0.0128(2) 0.0596(13) Uani 1 1 d . . . . .
C17A C 0.4037(10) 0.2436(7) -0.0628(4) 0.146(4) Uani 1 1 d . . . . .
H17D H 0.3203 0.2486 -0.0494 0.219 Uiso 1 1 calc GR . . . .
H17E H 0.4404 0.1867 -0.0729 0.219 Uiso 1 1 calc GR . . . .
H17F H 0.4124 0.2930 -0.0946 0.219 Uiso 1 1 calc GR . . . .
C18A C 0.4614(8) 0.1544(5) 0.0546(4) 0.118(3) Uani 1 1 d . . . . .
H18D H 0.4971 0.1572 0.0838 0.177 Uiso 1 1 calc GR . . . .
H18E H 0.4996 0.0975 0.0447 0.177 Uiso 1 1 calc GR . . . .
H18F H 0.3777 0.1591 0.0670 0.177 Uiso 1 1 calc GR . . . .
C19A C 0.6319(7) 0.2524(5) -0.0349(4) 0.130(4) Uani 1 1 d . . . . .
H19D H 0.6317 0.3088 -0.0624 0.196 Uiso 1 1 calc GR . . . .
H19E H 0.6707 0.2023 -0.0516 0.196 Uiso 1 1 calc GR . . . .
H19F H 0.6742 0.2483 -0.0062 0.196 Uiso 1 1 calc GR . . . .
C20A C -0.0107(4) 0.7459(4) 0.0669(2) 0.0526(12) Uani 1 1 d . . . . .
C21A C -0.0762(5) 0.8211(4) 0.0658(2) 0.0615(14) Uani 1 1 d . . . . .
C22A C -0.2511(7) 0.9703(5) 0.0025(3) 0.092(2) Uani 1 1 d . . . . .
H22D H -0.1893 0.9761 -0.0289 0.137 Uiso 1 1 calc GR . . . .
H22E H -0.3091 1.0282 0.0013 0.137 Uiso 1 1 calc GR . . . .
H22F H -0.2893 0.9261 0.0016 0.137 Uiso 1 1 calc GR . . . .
C23A C -0.1104(9) 1.0166(6) 0.0690(4) 0.126(3) Uani 1 1 d . . . . .
H23D H -0.0778 0.9974 0.1029 0.189 Uiso 1 1 calc GR . . . .
H23E H -0.1674 1.0751 0.0669 0.189 Uiso 1 1 calc GR . . . .
H23F H -0.0470 1.0211 0.0382 0.189 Uiso 1 1 calc GR . . . .
C24A C -0.2963(7) 0.9171(6) 0.1287(3) 0.114(3) Uani 1 1 d . . . . .
H24D H -0.3346 0.8728 0.1280 0.171 Uiso 1 1 calc GR . . . .
H24E H -0.3551 0.9740 0.1297 0.171 Uiso 1 1 calc GR . . . .
H24F H -0.2578 0.8960 0.1610 0.171 Uiso 1 1 calc GR . . . .
C25A C 0.3481(4) 0.4986(3) 0.11663(18) 0.0439(10) Uani 1 1 d . . . . .
C26A C 0.4728(4) 0.4489(4) 0.0945(2) 0.0525(12) Uani 1 1 d . . . . .
H26C H 0.4875 0.4702 0.0545 0.063 Uiso 1 1 calc R . . . .
H26D H 0.4799 0.3840 0.1038 0.063 Uiso 1 1 calc R . . . .
C27A C 0.5640(4) 0.4665(4) 0.1199(2) 0.0551(13) Uani 1 1 d . . . . .
H27C H 0.6442 0.4354 0.1057 0.066 Uiso 1 1 calc R . . . .
H27D H 0.5578 0.5313 0.1100 0.066 Uiso 1 1 calc R . . . .
C28A C 0.5411(4) 0.4327(3) 0.18102(19) 0.0465(10) Uani 1 1 d . . . . .
C29A C 0.6291(4) 0.3784(3) 0.2129(2) 0.0494(11) Uani 1 1 d . . . . .
H29A H 0.7089 0.3682 0.1966 0.059 Uiso 1 1 calc R . . . .
C30A C 0.6009(4) 0.3391(3) 0.2685(2) 0.0514(11) Uani 1 1 d . . . . .
H30A H 0.6614 0.3048 0.2896 0.062 Uiso 1 1 calc R . . . .
C31A C 0.4824(4) 0.3510(3) 0.2927(2) 0.0477(11) Uani 1 1 d . . . . .
C32A C 0.3922(4) 0.4062(3) 0.26070(19) 0.0432(10) Uani 1 1 d . . . . .
C33A C 0.4198(4) 0.4522(3) 0.20571(19) 0.0421(10) Uani 1 1 d . . . . .
C34A C 0.3307(4) 0.5128(3) 0.16903(18) 0.0400(9) Uani 1 1 d . . . . .
C35A C 0.5341(5) 0.2547(4) 0.3800(2) 0.0598(13) Uani 1 1 d . . . . .
H35D H 0.5817 0.2048 0.3643 0.090 Uiso 1 1 calc GR . . . .
H35E H 0.4967 0.2314 0.4167 0.090 Uiso 1 1 calc GR . . . .
H35F H 0.5843 0.2904 0.3815 0.090 Uiso 1 1 calc GR . . . .
C36A C 0.2272(4) 0.5814(3) 0.18571(18) 0.0399(9) Uani 1 1 d . . . . .
C37A C 0.2131(3) 0.6138(3) 0.23613(18) 0.0393(9) Uani 1 1 d . . . . .
C38A C 0.3019(3) 0.6359(3) 0.25253(19) 0.0402(9) Uani 1 1 d . . . . .
C39A C 0.2827(4) 0.6630(3) 0.30172(19) 0.0435(10) Uani 1 1 d . . . . .
C40A C 0.1714(4) 0.6698(3) 0.3343(2) 0.0463(10) Uani 1 1 d . . . . .
H40A H 0.1587 0.6837 0.3683 0.056 Uiso 1 1 calc R . . . .
C41A C 0.0792(4) 0.6558(3) 0.31652(19) 0.0455(10) Uani 1 1 d . . . . .
H41A H 0.0038 0.6634 0.3378 0.055 Uiso 1 1 calc R . . . .
C42A C 0.0979(4) 0.6305(3) 0.26737(19) 0.0427(10) Uani 1 1 d . . . . .
C43A C -0.0017(4) 0.6245(4) 0.2431(2) 0.0488(11) Uani 1 1 d . . . . .
H43C H -0.0784 0.6550 0.2608 0.059 Uiso 1 1 calc R . . . .
H43D H 0.0002 0.5613 0.2486 0.059 Uiso 1 1 calc R . . . .
C44A C 0.0166(4) 0.6708(3) 0.1813(2) 0.0459(10) Uani 1 1 d . . . . .
H44C H -0.0471 0.6692 0.1643 0.055 Uiso 1 1 calc R . . . .
H44D H 0.0144 0.7340 0.1761 0.055 Uiso 1 1 calc R . . . .
C45A C 0.1357(4) 0.6219(3) 0.15433(19) 0.0416(9) Uani 1 1 d . . . . .
C46A C 0.3557(5) 0.7152(4) 0.3621(2) 0.0626(14) Uani 1 1 d . . . . .
H46D H 0.2956 0.7723 0.3580 0.094 Uiso 1 1 calc GR . . . .
H46E H 0.4286 0.7235 0.3670 0.094 Uiso 1 1 calc GR . . . .
H46F H 0.3292 0.6716 0.3938 0.094 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Br1 C32 1.908(4) . ?
Br2 C38 1.900(4) . ?
Si1 C21 1.815(5) . ?
Si1 C22 1.847(7) . ?
Si1 C23 1.841(6) . ?
Si1 C24 1.849(6) . ?
Si2 C16 1.830(6) . ?
Si2 C17 1.858(9) . ?
Si2 C18 1.859(9) . ?
Si2 C19 1.827(8) . ?
O1 C39 1.375(5) . ?
O1 C46 1.432(5) . ?
O2 C31 1.374(5) . ?
O2 C35 1.419(6) . ?
C1 C2 1.432(7) . ?
C1 C6 1.419(9) . ?
C1 C7 1.373(7) . ?
C2 C3 1.363(10) . ?
C3 C4 1.407(11) . ?
C4 C5 1.370(10) . ?
C5 C6 1.443(8) . ?
C6 C10 1.396(8) . ?
C7 C8 1.410(6) . ?
C8 C9 1.433(7) . ?
C8 C11 1.437(6) . ?
C9 C10 1.402(6) . ?
C9 C14 1.444(6) . ?
C11 C12 1.418(6) . ?
C11 C15 1.431(7) . ?
C12 C13 1.441(6) . ?
C12 C25 1.447(6) . ?
C13 C14 1.418(6) . ?
C13 C45 1.450(6) . ?
C14 C20 1.423(7) . ?
C15 C16 1.208(7) . ?
C20 C21 1.221(7) . ?
C25 C26 1.529(6) . ?
C25 C34 1.387(5) . ?
C26 C27 1.519(6) . ?
C27 C28 1.495(6) . ?
C28 C29 1.371(6) . ?
C28 C33 1.403(6) . ?
C29 C30 1.386(7) . ?
C30 C31 1.388(6) . ?
C31 C32 1.393(6) . ?
C32 C33 1.404(6) . ?
C33 C34 1.484(6) . ?
C34 C36 1.454(6) . ?
C36 C37 1.490(5) . ?
C36 C45 1.374(6) . ?
C37 C38 1.410(5) . ?
C37 C42 1.400(6) . ?
C38 C39 1.401(6) . ?
C39 C40 1.392(6) . ?
C40 C41 1.391(6) . ?
C41 C42 1.392(6) . ?
C42 C43 1.498(6) . ?
C43 C44 1.509(7) . ?
C44 C45 1.516(6) . ?
Br1A C32A 1.899(4) . ?
Br2A C38A 1.906(4) . ?
Si1A C21A 1.850(6) . ?
Si1A C22A 1.848(7) . ?
Si1A C23A 1.842(9) . ?
Si1A C24A 1.828(7) . ?
Si2A C16A 1.827(5) . ?
Si2A C17A 1.927(10) . ?
Si2A C18A 1.832(8) . ?
Si2A C19A 1.804(8) . ?
O1A C39A 1.362(5) . ?
O1A C46A 1.440(6) . ?
O2A C31A 1.375(6) . ?
O2A C35A 1.422(6) . ?
C1A C2A 1.449(7) . ?
C1A C6A 1.432(8) . ?
C1A C7A 1.367(7) . ?
C2A C3A 1.350(9) . ?
C3A C4A 1.401(10) . ?
C4A C5A 1.362(9) . ?
C5A C6A 1.434(7) . ?
C6A C10A 1.395(7) . ?
C7A C8A 1.414(6) . ?
C8A C9A 1.431(7) . ?
C8A C11A 1.431(7) . ?
C9A C10A 1.401(7) . ?
C9A C14A 1.424(6) . ?
C11A C12A 1.415(6) . ?
C11A C15A 1.435(7) . ?
C12A C13A 1.453(6) . ?
C12A C25A 1.440(6) . ?
C13A C14A 1.409(6) . ?
C13A C45A 1.448(6) . ?
C14A C20A 1.437(7) . ?
C15A C16A 1.206(7) . ?
C20A C21A 1.204(7) . ?
C25A C26A 1.517(6) . ?
C25A C34A 1.388(6) . ?
C26A C27A 1.522(7) . ?
C27A C28A 1.486(6) . ?
C28A C29A 1.384(7) . ?
C28A C33A 1.415(6) . ?
C29A C30A 1.383(7) . ?
C30A C31A 1.383(6) . ?
C31A C32A 1.408(6) . ?
C32A C33A 1.396(6) . ?
C33A C34A 1.488(6) . ?
C34A C36A 1.446(6) . ?
C36A C37A 1.489(6) . ?
C36A C45A 1.379(6) . ?
C37A C38A 1.397(6) . ?
C37A C42A 1.410(5) . ?
C38A C39A 1.403(6) . ?
C39A C40A 1.387(6) . ?
C40A C41A 1.384(6) . ?
C41A C42A 1.386(6) . ?
C42A C43A 1.502(6) . ?
C43A C44A 1.529(7) . ?
C44A C45A 1.509(6) . ?

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
C21 Si1 C22 106.8(3) . . ?
C21 Si1 C23 106.9(3) . . ?
C21 Si1 C24 110.2(3) . . ?
C22 Si1 C24 110.0(3) . . ?
C23 Si1 C22 110.8(3) . . ?
C23 Si1 C24 112.0(3) . . ?
C16 Si2 C17 106.9(4) . . ?
C16 Si2 C18 109.3(4) . . ?
C17 Si2 C18 111.4(6) . . ?
C19 Si2 C16 108.5(3) . . ?
C19 Si2 C17 111.4(5) . . ?
C19 Si2 C18 109.3(4) . . ?
C39 O1 C46 117.1(4) . . ?
C31 O2 C35 117.3(4) . . ?
C6 C1 C2 117.7(6) . . ?
C7 C1 C2 122.9(6) . . ?
C7 C1 C6 119.4(5) . . ?
C3 C2 C1 121.3(8) . . ?
C2 C3 C4 120.9(7) . . ?
C5 C4 C3 120.5(7) . . ?
C4 C5 C6 119.8(8) . . ?
C1 C6 C5 119.8(6) . . ?
C10 C6 C1 119.3(5) . . ?
C10 C6 C5 120.9(6) . . ?
C1 C7 C8 122.3(6) . . ?
C7 C8 C9 118.5(5) . . ?
C7 C8 C11 122.0(5) . . ?
C9 C8 C11 119.4(4) . . ?
C8 C9 C14 119.4(4) . . ?
C10 C9 C8 118.6(5) . . ?
C10 C9 C14 121.9(5) . . ?
C6 C10 C9 121.7(6) . . ?
C12 C11 C8 119.7(4) . . ?
C12 C11 C15 124.7(4) . . ?
C15 C11 C8 115.3(4) . . ?
C11 C12 C13 120.6(4) . . ?
C11 C12 C25 120.8(4) . . ?
C13 C12 C25 118.4(4) . . ?
C12 C13 C45 119.6(4) . . ?
C14 C13 C12 118.5(4) . . ?
C14 C13 C45 121.8(4) . . ?
C13 C14 C9 120.6(4) . . ?
C13 C14 C20 124.9(4) . . ?
C20 C14 C9 114.4(4) . . ?
C16 C15 C11 173.1(5) . . ?
C15 C16 Si2 175.9(5) . . ?
C21 C20 C14 169.4(6) . . ?
C20 C21 Si1 170.9(5) . . ?
C12 C25 C26 122.8(4) . . ?
C34 C25 C12 120.3(4) . . ?
C34 C25 C26 116.7(4) . . ?
C27 C26 C25 109.3(4) . . ?
C28 C27 C26 109.1(4) . . ?
C29 C28 C27 124.0(4) . . ?
C29 C28 C33 119.9(4) . . ?
C33 C28 C27 116.1(4) . . ?
C28 C29 C30 121.6(4) . . ?
C29 C30 C31 119.6(4) . . ?
O2 C31 C30 124.4(4) . . ?
O2 C31 C32 116.6(4) . . ?
C30 C31 C32 118.9(4) . . ?
C31 C32 Br1 116.1(3) . . ?
C31 C32 C33 121.3(4) . . ?
C33 C32 Br1 122.0(3) . . ?
C28 C33 C32 118.0(4) . . ?
C28 C33 C34 117.2(4) . . ?
C32 C33 C34 124.7(4) . . ?
C25 C34 C33 117.2(4) . . ?
C25 C34 C36 119.7(4) . . ?
C36 C34 C33 123.0(4) . . ?
C34 C36 C37 122.0(4) . . ?
C45 C36 C34 120.4(4) . . ?
C45 C36 C37 117.6(4) . . ?
C38 C37 C36 124.3(4) . . ?
C42 C37 C36 118.2(4) . . ?
C42 C37 C38 117.3(4) . . ?
C37 C38 Br2 121.8(3) . . ?
C39 C38 Br2 116.4(3) . . ?
C39 C38 C37 121.2(4) . . ?
O1 C39 C38 116.1(4) . . ?
O1 C39 C40 124.1(4) . . ?
C40 C39 C38 119.7(4) . . ?
C41 C40 C39 119.2(4) . . ?
C40 C41 C42 120.9(4) . . ?
C37 C42 C43 115.9(4) . . ?
C41 C42 C37 120.8(4) . . ?
C41 C42 C43 123.2(4) . . ?
C42 C43 C44 109.5(4) . . ?
C43 C44 C45 111.1(4) . . ?
C13 C45 C44 123.4(4) . . ?
C36 C45 C13 119.8(4) . . ?
C36 C45 C44 116.6(4) . . ?
C22A Si1A C21A 106.3(3) . . ?
C23A Si1A C21A 110.9(3) . . ?
C23A Si1A C22A 110.0(4) . . ?
C24A Si1A C21A 107.9(3) . . ?
C24A Si1A C22A 112.3(4) . . ?
C24A Si1A C23A 109.3(4) . . ?
C16A Si2A C17A 105.0(4) . . ?
C16A Si2A C18A 108.3(3) . . ?
C18A Si2A C17A 108.7(4) . . ?
C19A Si2A C16A 110.0(3) . . ?
C19A Si2A C17A 108.1(4) . . ?
C19A Si2A C18A 116.2(4) . . ?
C39A O1A C46A 116.9(4) . . ?
C31A O2A C35A 117.4(4) . . ?
C6A C1A C2A 118.5(5) . . ?
C7A C1A C2A 122.0(5) . . ?
C7A C1A C6A 119.5(5) . . ?
C3A C2A C1A 119.8(6) . . ?
C2A C3A C4A 121.5(6) . . ?
C5A C4A C3A 121.4(6) . . ?
C4A C5A C6A 119.8(6) . . ?
C1A C6A C5A 118.8(5) . . ?
C10A C6A C1A 118.9(5) . . ?
C10A C6A C5A 122.2(5) . . ?
C1A C7A C8A 122.4(5) . . ?
C7A C8A C9A 118.5(5) . . ?
C7A C8A C11A 121.9(4) . . ?
C11A C8A C9A 119.6(4) . . ?
C10A C9A C8A 118.7(4) . . ?
C10A C9A C14A 122.4(5) . . ?
C14A C9A C8A 118.8(4) . . ?
C6A C10A C9A 122.0(5) . . ?
C8A C11A C15A 116.6(4) . . ?
C12A C11A C8A 120.5(4) . . ?
C12A C11A C15A 122.5(5) . . ?
C11A C12A C13A 118.8(4) . . ?
C11A C12A C25A 122.4(4) . . ?
C25A C12A C13A 118.6(4) . . ?
C14A C13A C12A 118.4(4) . . ?
C14A C13A C45A 123.2(4) . . ?
C45A C13A C12A 118.4(4) . . ?
C9A C14A C20A 116.4(4) . . ?
C13A C14A C9A 121.3(4) . . ?
C13A C14A C20A 122.2(4) . . ?
C16A C15A C11A 172.1(6) . . ?
C15A C16A Si2A 178.1(5) . . ?
C21A C20A C14A 173.3(6) . . ?
C20A C21A Si1A 176.1(6) . . ?
C12A C25A C26A 121.9(4) . . ?
C34A C25A C12A 120.5(4) . . ?
C34A C25A C26A 117.3(4) . . ?
C25A C26A C27A 109.1(4) . . ?
C28A C27A C26A 109.3(4) . . ?
C29A C28A C27A 123.9(4) . . ?
C29A C28A C33A 120.0(4) . . ?
C33A C28A C27A 115.9(4) . . ?
C30A C29A C28A 121.4(4) . . ?
C31A C30A C29A 119.8(5) . . ?
O2A C31A C30A 124.4(5) . . ?
O2A C31A C32A 116.4(4) . . ?
C30A C31A C32A 119.2(4) . . ?
C31A C32A Br1A 116.3(3) . . ?
C33A C32A Br1A 121.8(3) . . ?
C33A C32A C31A 121.5(4) . . ?
C28A C33A C34A 116.9(4) . . ?
C32A C33A C28A 117.6(4) . . ?
C32A C33A C34A 125.2(4) . . ?
C25A C34A C33A 116.5(4) . . ?
C25A C34A C36A 119.5(4) . . ?
C36A C34A C33A 123.9(4) . . ?
C34A C36A C37A 123.1(4) . . ?
C45A C36A C34A 120.8(4) . . ?
C45A C36A C37A 116.1(4) . . ?
C38A C37A C36A 125.4(4) . . ?
C38A C37A C42A 117.3(4) . . ?
C42A C37A C36A 117.1(4) . . ?
C37A C38A Br2A 120.4(3) . . ?
C37A C38A C39A 122.0(4) . . ?
C39A C38A Br2A 117.0(3) . . ?
O1A C39A C38A 116.4(4) . . ?
O1A C39A C40A 124.8(4) . . ?
C40A C39A C38A 118.8(4) . . ?
C41A C40A C39A 120.1(4) . . ?
C40A C41A C42A 120.9(4) . . ?
C37A C42A C43A 116.6(4) . . ?
C41A C42A C37A 120.4(4) . . ?
C41A C42A C43A 122.9(4) . . ?
C42A C43A C44A 107.4(4) . . ?
C45A C44A C43A 109.5(4) . . ?
C13A C45A C44A 121.6(4) . . ?
C36A C45A C13A 120.1(4) . . ?
C36A C45A C44A 117.9(4) . . ?

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
Br1 C32 C33 C28 162.6(3) . . . . ?
Br1 C32 C33 C34 -13.0(5) . . . . ?
Br2 C38 C39 O1 9.3(5) . . . . ?
Br2 C38 C39 C40 -168.0(4) . . . . ?
O1 C39 C40 C41 -172.8(4) . . . . ?
O2 C31 C32 Br1 12.4(5) . . . . ?
O2 C31 C32 C33 -175.7(4) . . . . ?
C1 C2 C3 C4 -0.8(11) . . . . ?
C1 C6 C10 C9 -1.9(7) . . . . ?
C1 C7 C8 C9 -1.7(7) . . . . ?
C1 C7 C8 C11 174.5(5) . . . . ?
C2 C1 C6 C5 0.6(7) . . . . ?
C2 C1 C6 C10 -178.8(5) . . . . ?
C2 C1 C7 C8 -179.2(5) . . . . ?
C2 C3 C4 C5 0.9(11) . . . . ?
C3 C4 C5 C6 -0.2(9) . . . . ?
C4 C5 C6 C1 -0.6(8) . . . . ?
C4 C5 C6 C10 178.9(5) . . . . ?
C5 C6 C10 C9 178.6(4) . . . . ?
C6 C1 C2 C3 0.1(9) . . . . ?
C6 C1 C7 C8 -2.1(8) . . . . ?
C7 C1 C2 C3 177.3(6) . . . . ?
C7 C1 C6 C5 -176.7(5) . . . . ?
C7 C1 C6 C10 3.8(7) . . . . ?
C7 C8 C9 C10 3.6(6) . . . . ?
C7 C8 C9 C14 -174.3(4) . . . . ?
C7 C8 C11 C12 -178.5(4) . . . . ?
C7 C8 C11 C15 8.1(7) . . . . ?
C8 C9 C10 C6 -1.9(6) . . . . ?
C8 C9 C14 C13 -4.8(6) . . . . ?
C8 C9 C14 C20 178.4(4) . . . . ?
C8 C11 C12 C13 -9.5(6) . . . . ?
C8 C11 C12 C25 173.6(4) . . . . ?
C9 C8 C11 C12 -2.3(6) . . . . ?
C9 C8 C11 C15 -175.7(4) . . . . ?
C9 C14 C20 C21 6(3) . . . . ?
C10 C9 C14 C13 177.4(4) . . . . ?
C10 C9 C14 C20 0.6(6) . . . . ?
C11 C8 C9 C10 -172.7(4) . . . . ?
C11 C8 C9 C14 9.4(6) . . . . ?
C11 C12 C13 C14 14.0(6) . . . . ?
C11 C12 C13 C45 -169.8(4) . . . . ?
C11 C12 C25 C26 -17.4(6) . . . . ?
C11 C12 C25 C34 167.7(4) . . . . ?
C12 C13 C14 C9 -6.7(6) . . . . ?
C12 C13 C14 C20 169.7(4) . . . . ?
C12 C13 C45 C36 -8.5(6) . . . . ?
C12 C13 C45 C44 166.5(4) . . . . ?
C12 C25 C26 C27 -146.6(4) . . . . ?
C12 C25 C34 C33 -164.4(4) . . . . ?
C12 C25 C34 C36 12.3(6) . . . . ?
C13 C12 C25 C26 165.7(4) . . . . ?
C13 C12 C25 C34 -9.2(6) . . . . ?
C13 C14 C20 C21 -170(2) . . . . ?
C14 C9 C10 C6 176.0(4) . . . . ?
C14 C13 C45 C36 167.5(4) . . . . ?
C14 C13 C45 C44 -17.5(6) . . . . ?
C15 C11 C12 C13 163.2(4) . . . . ?
C15 C11 C12 C25 -13.6(7) . . . . ?
C25 C12 C13 C14 -169.1(4) . . . . ?
C25 C12 C13 C45 7.1(6) . . . . ?
C25 C26 C27 C28 -59.6(5) . . . . ?
C25 C34 C36 C37 165.4(4) . . . . ?
C25 C34 C36 C45 -13.7(6) . . . . ?
C26 C25 C34 C33 20.4(5) . . . . ?
C26 C25 C34 C36 -162.9(4) . . . . ?
C26 C27 C28 C29 -133.5(5) . . . . ?
C26 C27 C28 C33 42.9(5) . . . . ?
C27 C28 C29 C30 176.2(4) . . . . ?
C27 C28 C33 C32 -170.0(4) . . . . ?
C27 C28 C33 C34 5.9(5) . . . . ?
C28 C29 C30 C31 -4.4(7) . . . . ?
C28 C33 C34 C25 -40.2(5) . . . . ?
C28 C33 C34 C36 143.2(4) . . . . ?
C29 C28 C33 C32 6.5(6) . . . . ?
C29 C28 C33 C34 -177.6(4) . . . . ?
C29 C30 C31 O2 -177.6(4) . . . . ?
C29 C30 C31 C32 2.1(6) . . . . ?
C30 C31 C32 Br1 -167.4(3) . . . . ?
C30 C31 C32 C33 4.5(6) . . . . ?
C31 C32 C33 C28 -8.8(6) . . . . ?
C31 C32 C33 C34 175.6(4) . . . . ?
C32 C33 C34 C25 135.5(4) . . . . ?
C32 C33 C34 C36 -41.1(6) . . . . ?
C33 C28 C29 C30 0.0(7) . . . . ?
C33 C34 C36 C37 -18.0(6) . . . . ?
C33 C34 C36 C45 162.8(4) . . . . ?
C34 C25 C26 C27 28.4(5) . . . . ?
C34 C36 C37 C38 -41.7(6) . . . . ?
C34 C36 C37 C42 143.1(4) . . . . ?
C34 C36 C45 C13 11.7(6) . . . . ?
C34 C36 C45 C44 -163.7(4) . . . . ?
C35 O2 C31 C30 -0.8(6) . . . . ?
C35 O2 C31 C32 179.4(4) . . . . ?
C36 C37 C38 Br2 -14.0(6) . . . . ?
C36 C37 C38 C39 175.2(4) . . . . ?
C36 C37 C42 C41 -176.0(4) . . . . ?
C36 C37 C42 C43 6.6(6) . . . . ?
C37 C36 C45 C13 -167.5(4) . . . . ?
C37 C36 C45 C44 17.1(6) . . . . ?
C37 C38 C39 O1 -179.4(4) . . . . ?
C37 C38 C39 C40 3.3(7) . . . . ?
C37 C42 C43 C44 39.6(5) . . . . ?
C38 C37 C42 C41 8.5(6) . . . . ?
C38 C37 C42 C43 -168.9(4) . . . . ?
C38 C39 C40 C41 4.2(7) . . . . ?
C39 C40 C41 C42 -5.3(7) . . . . ?
C40 C41 C42 C37 -1.2(7) . . . . ?
C40 C41 C42 C43 176.0(4) . . . . ?
C41 C42 C43 C44 -137.7(5) . . . . ?
C42 C37 C38 Br2 161.3(3) . . . . ?
C42 C37 C38 C39 -9.5(6) . . . . ?
C42 C43 C44 C45 -58.0(5) . . . . ?
C43 C44 C45 C13 -145.3(4) . . . . ?
C43 C44 C45 C36 29.8(5) . . . . ?
C45 C13 C14 C9 177.2(4) . . . . ?
C45 C13 C14 C20 -6.4(6) . . . . ?
C45 C36 C37 C38 137.5(4) . . . . ?
C45 C36 C37 C42 -37.7(6) . . . . ?
C46 O1 C39 C38 -177.6(4) . . . . ?
C46 O1 C39 C40 -0.5(7) . . . . ?
Br1A C32A C33A C28A -164.5(3) . . . . ?
Br1A C32A C33A C34A 8.6(6) . . . . ?
Br2A C38A C39A O1A -9.3(6) . . . . ?
Br2A C38A C39A C40A 169.8(3) . . . . ?
O1A C39A C40A C41A 174.7(5) . . . . ?
O2A C31A C32A Br1A -8.5(5) . . . . ?
O2A C31A C32A C33A 179.0(4) . . . . ?
C1A C2A C3A C4A 1.4(9) . . . . ?
C1A C6A C10A C9A -1.7(7) . . . . ?
C1A C7A C8A C9A 1.3(7) . . . . ?
C1A C7A C8A C11A -177.2(4) . . . . ?
C2A C1A C6A C5A 2.6(7) . . . . ?
C2A C1A C6A C10A 179.8(4) . . . . ?
C2A C1A C7A C8A -179.6(4) . . . . ?
C2A C3A C4A C5A 0.5(10) . . . . ?
C3A C4A C5A C6A -0.8(9) . . . . ?
C4A C5A C6A C1A -0.8(8) . . . . ?
C4A C5A C6A C10A -177.9(5) . . . . ?
C5A C6A C10A C9A 175.4(5) . . . . ?
C6A C1A C2A C3A -2.9(7) . . . . ?
C6A C1A C7A C8A 0.5(7) . . . . ?
C7A C1A C2A C3A 177.2(5) . . . . ?
C7A C1A C6A C5A -177.6(5) . . . . ?
C7A C1A C6A C10A -0.3(7) . . . . ?
C7A C8A C9A C10A -3.3(7) . . . . ?
C7A C8A C9A C14A 172.5(4) . . . . ?
C7A C8A C11A C12A -174.9(4) . . . . ?
C7A C8A C11A C15A -2.5(6) . . . . ?
C8A C9A C10A C6A 3.6(7) . . . . ?
C8A C9A C14A C13A -2.3(7) . . . . ?
C8A C9A C14A C20A 174.9(4) . . . . ?
C8A C11A C12A C13A 6.6(6) . . . . ?
C8A C11A C12A C25A -178.2(4) . . . . ?
C9A C8A C11A C12A 6.6(6) . . . . ?
C9A C8A C11A C15A 179.0(4) . . . . ?
C10A C9A C14A C13A 173.4(4) . . . . ?
C10A C9A C14A C20A -9.5(7) . . . . ?
C11A C8A C9A C10A 175.3(4) . . . . ?
C11A C8A C9A C14A -8.9(6) . . . . ?
C11A C12A C13A C14A -17.4(6) . . . . ?
C11A C12A C13A C45A 163.2(4) . . . . ?
C11A C12A C25A C26A 24.1(7) . . . . ?
C11A C12A C25A C34A -162.6(4) . . . . ?
C12A C13A C14A C9A 15.4(6) . . . . ?
C12A C13A C14A C20A -161.6(4) . . . . ?
C12A C13A C45A C36A 11.5(6) . . . . ?
C12A C13A C45A C44A -161.3(4) . . . . ?
C12A C25A C26A C27A 145.0(4) . . . . ?
C12A C25A C34A C33A 165.7(4) . . . . ?
C12A C25A C34A C36A -11.9(7) . . . . ?
C13A C12A C25A C26A -160.6(4) . . . . ?
C13A C12A C25A C34A 12.7(7) . . . . ?
C14A C9A C10A C6A -172.1(5) . . . . ?
C14A C13A C45A C36A -167.8(4) . . . . ?
C14A C13A C45A C44A 19.4(7) . . . . ?
C15A C11A C12A C13A -165.4(4) . . . . ?
C15A C11A C12A C25A 9.9(7) . . . . ?
C25A C12A C13A C14A 167.1(4) . . . . ?
C25A C12A C13A C45A -12.2(6) . . . . ?
C25A C26A C27A C28A 60.0(5) . . . . ?
C25A C34A C36A C37A -167.8(4) . . . . ?
C25A C34A C36A C45A 11.0(6) . . . . ?
C26A C25A C34A C33A -20.7(6) . . . . ?
C26A C25A C34A C36A 161.8(4) . . . . ?
C26A C27A C28A C29A 131.8(5) . . . . ?
C26A C27A C28A C33A -42.5(6) . . . . ?
C27A C28A C29A C30A -171.4(5) . . . . ?
C27A C28A C33A C32A 166.9(4) . . . . ?
C27A C28A C33A C34A -6.8(6) . . . . ?
C28A C29A C30A C31A 2.5(7) . . . . ?
C28A C33A C34A C25A 41.0(6) . . . . ?
C28A C33A C34A C36A -141.6(4) . . . . ?
C29A C28A C33A C32A -7.7(7) . . . . ?
C29A C28A C33A C34A 178.6(4) . . . . ?
C29A C30A C31A O2A 175.7(4) . . . . ?
C29A C30A C31A C32A -2.6(7) . . . . ?
C30A C31A C32A Br1A 170.0(4) . . . . ?
C30A C31A C32A C33A -2.6(7) . . . . ?
C31A C32A C33A C28A 7.6(7) . . . . ?
C31A C32A C33A C34A -179.2(4) . . . . ?
C32A C33A C34A C25A -132.3(5) . . . . ?
C32A C33A C34A C36A 45.2(7) . . . . ?
C33A C28A C29A C30A 2.8(7) . . . . ?
C33A C34A C36A C37A 14.8(7) . . . . ?
C33A C34A C36A C45A -166.4(4) . . . . ?
C34A C25A C26A C27A -28.6(6) . . . . ?
C34A C36A C37A C38A 44.5(7) . . . . ?
C34A C36A C37A C42A -140.9(4) . . . . ?
C34A C36A C45A C13A -10.8(6) . . . . ?
C34A C36A C45A C44A 162.3(4) . . . . ?
C35A O2A C31A C30A 2.2(7) . . . . ?
C35A O2A C31A C32A -179.5(4) . . . . ?
C36A C37A C38A Br2A 11.5(6) . . . . ?
C36A C37A C38A C39A -177.8(4) . . . . ?
C36A C37A C42A C41A 176.2(4) . . . . ?
C36A C37A C42A C43A -6.9(6) . . . . ?
C37A C36A C45A C13A 168.1(4) . . . . ?
C37A C36A C45A C44A -18.8(6) . . . . ?
C37A C38A C39A O1A 179.7(4) . . . . ?
C37A C38A C39A C40A -1.3(7) . . . . ?
C37A C42A C43A C44A -42.0(6) . . . . ?
C38A C37A C42A C41A -8.7(7) . . . . ?
C38A C37A C42A C43A 168.1(4) . . . . ?
C38A C39A C40A C41A -4.3(7) . . . . ?
C39A C40A C41A C42A 3.2(7) . . . . ?
C40A C41A C42A C37A 3.5(7) . . . . ?
C40A C41A C42A C43A -173.1(5) . . . . ?
C41A C42A C43A C44A 134.8(5) . . . . ?
C42A C37A C38A Br2A -163.1(3) . . . . ?
C42A C37A C38A C39A 7.7(7) . . . . ?
C42A C43A C44A C45A 60.5(5) . . . . ?
C43A C44A C45A C13A 142.0(4) . . . . ?
C43A C44A C45A C36A -31.0(6) . . . . ?
C45A C13A C14A C9A -165.3(4) . . . . ?
C45A C13A C14A C20A 17.7(7) . . . . ?
C45A C36A C37A C38A -134.4(5) . . . . ?
C45A C36A C37A C42A 40.2(6) . . . . ?
C46A O1A C39A C38A 176.6(4) . . . . ?
C46A O1A C39A C40A -2.4(7) . . . . ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mx3830
_database_code_depnum_ccdc_archive 'CCDC 1058256'
_audit_update_record             
;
2015-04-07 deposited with the CCDC.
2015-06-12 downloaded from the CCDC.
;
_audit_creation_date             2015-01-16
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.12 svn.r3133 for OlexSys, GUI svn.r4987)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C46 H38 O2 Si2, C3 H6 O'
_chemical_formula_sum            'C49 H44 O3 Si2'
_chemical_formula_weight         737.02
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.361(5)
_cell_length_b                   12.402(5)
_cell_length_c                   15.056(5)
_cell_angle_alpha                72.031(18)
_cell_angle_beta                 82.67(2)
_cell_angle_gamma                89.49(3)
_cell_volume                     2000.4(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6500
_cell_measurement_temperature    173.1500
_cell_measurement_theta_max      27.4739
_cell_measurement_theta_min      1.4342
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.131
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5001
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.224
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_av_unetI/netI     0.1084
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15133
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.198
_diffrn_reflns_theta_max         25.198
_diffrn_reflns_theta_min         1.808
_diffrn_ambient_temperature      173.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 20.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 180.0000
	             XTD: 40.4286
	          2theta: -19.8011
scan:
	Number of images: 360
	           Slice: -110.0000 - 70.0000
	     Image width: 0.5000
	        Exp time: 20.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 45.0000
	             Phi: 0.0000
	             XTD: 40.4286
	          2theta: -19.8011
;
_diffrn_measurement_device       
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_device_details 
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       dtprofit.ref
_diffrn_number_total             8967
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.0242
_diffrn_orient_matrix_UB_12      0.0666
_diffrn_orient_matrix_UB_13      -0.0536
_diffrn_orient_matrix_UB_21      0.0822
_diffrn_orient_matrix_UB_22      -0.0134
_diffrn_orient_matrix_UB_23      0.0160
_diffrn_orient_matrix_UB_31      -0.0201
_diffrn_orient_matrix_UB_32      -0.0453
_diffrn_orient_matrix_UB_33      -0.0500
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0000
_diffrn_source_power             1.2000
_diffrn_source_voltage           50.0000
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5120
_reflns_number_total             7149
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
????
;
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.735
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         7149
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1480
_refine_ls_R_factor_gt           0.1175
_refine_ls_restrained_S_all      1.114
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1652P)²+1.8037P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3062
_refine_ls_wR_factor_ref         0.3362
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C7(H7), C8(H8), C13(H13), C15(H15), C16(H16), C17(H17),
 C18(H18), C20(H20), C25(H25), C26(H26), C28(H28), C29(H29)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C),
 C41(H41A,H41B,H41C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C46(H46A,H46B,
 H46C), C47(H47A,H47B,H47C), C49(H49A,H49B,H49C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Si1 Si 0.80486(14) 0.04253(13) 0.30427(11) 0.0466(4) Uani 1 1 d . . . . .
Si2 Si 0.15331(14) 0.77498(14) 0.07885(11) 0.0483(5) Uani 1 1 d . . . . .
O1 O 0.7714(3) 0.6660(3) 0.6149(2) 0.0472(9) Uani 1 1 d . . . . .
O2 O 0.9245(3) 0.7661(3) 0.4749(3) 0.0510(10) Uani 1 1 d . . . . .
C1 C 0.7794(5) 0.7368(5) 0.6740(4) 0.0497(13) Uani 1 1 d . . . . .
H1A H 0.7727 0.8148 0.6378 0.075 Uiso 1 1 calc GR . . . .
H1B H 0.8545 0.7268 0.6979 0.075 Uiso 1 1 calc GR . . . .
H1C H 0.7163 0.7159 0.7256 0.075 Uiso 1 1 calc GR . . . .
C2 C 1.0321(5) 0.8072(5) 0.4952(4) 0.0579(15) Uani 1 1 d . . . . .
H2A H 1.0865 0.8345 0.4382 0.087 Uiso 1 1 calc GR . . . .
H2B H 1.0672 0.7468 0.5397 0.087 Uiso 1 1 calc GR . . . .
H2C H 1.0148 0.8679 0.5214 0.087 Uiso 1 1 calc GR . . . .
C3 C 0.6844(4) 0.6853(4) 0.5582(3) 0.0379(11) Uani 1 1 d . . . . .
C4 C 0.5734(4) 0.7286(4) 0.5850(3) 0.0390(11) Uani 1 1 d . . . . .
H4 H 0.5651 0.7572 0.6357 0.047 Uiso 1 1 calc R . . . .
C5 C 0.4800(4) 0.7287(4) 0.5376(3) 0.0410(12) Uani 1 1 d . . . . .
H5 H 0.4088 0.7590 0.5550 0.049 Uiso 1 1 calc R . . . .
C6 C 0.4899(4) 0.6826(4) 0.4610(3) 0.0349(10) Uani 1 1 d . . . . .
C7 C 0.3897(4) 0.6704(4) 0.4176(3) 0.0391(11) Uani 1 1 d . . . . .
H7 H 0.3167 0.6953 0.4379 0.047 Uiso 1 1 calc R . . . .
C8 C 0.3979(4) 0.6227(4) 0.3463(4) 0.0416(12) Uani 1 1 d . . . . .
H8 H 0.3311 0.6177 0.3177 0.050 Uiso 1 1 calc R . . . .
C9 C 0.5078(4) 0.5804(4) 0.3153(3) 0.0334(10) Uani 1 1 d . . . . .
C10 C 0.5151(4) 0.5193(4) 0.2443(3) 0.0340(10) Uani 1 1 d . . . . .
C11 C 0.4289(4) 0.5265(4) 0.1832(3) 0.0330(10) Uani 1 1 d . . . . .
C12 C 0.4279(4) 0.4481(4) 0.1293(3) 0.0363(11) Uani 1 1 d . . . . .
C13 C 0.3410(4) 0.4526(4) 0.0684(3) 0.0383(11) Uani 1 1 d . . . . .
H13 H 0.2868 0.5103 0.0590 0.046 Uiso 1 1 calc R . . . .
C14 C 0.3364(4) 0.3704(4) 0.0222(3) 0.0413(12) Uani 1 1 d . . . . .
C15 C 0.2494(5) 0.3736(5) -0.0398(4) 0.0471(13) Uani 1 1 d . . . . .
H15 H 0.1923 0.4287 -0.0467 0.057 Uiso 1 1 calc R . . . .
C16 C 0.2487(5) 0.2975(5) -0.0887(4) 0.0530(14) Uani 1 1 d . . . . .
H16 H 0.1915 0.3011 -0.1285 0.064 Uiso 1 1 calc R . . . .
C17 C 0.3352(5) 0.2128(5) -0.0790(4) 0.0535(15) Uani 1 1 d . . . . .
H17 H 0.3351 0.1624 -0.1136 0.064 Uiso 1 1 calc R . . . .
C18 C 0.4181(5) 0.2043(5) -0.0199(4) 0.0487(13) Uani 1 1 d . . . . .
H18 H 0.4729 0.1471 -0.0132 0.058 Uiso 1 1 calc R . . . .
C19 C 0.4212(5) 0.2839(4) 0.0327(3) 0.0430(12) Uani 1 1 d . . . . .
C20 C 0.5049(4) 0.2793(4) 0.0943(3) 0.0383(11) Uani 1 1 d . . . . .
H20 H 0.5583 0.2207 0.1040 0.046 Uiso 1 1 calc R . . . .
C21 C 0.5115(4) 0.3598(4) 0.1420(3) 0.0357(11) Uani 1 1 d . . . . .
C22 C 0.6039(4) 0.3584(4) 0.2001(3) 0.0394(11) Uani 1 1 d . . . . .
C23 C 0.6125(4) 0.4446(4) 0.2407(3) 0.0362(11) Uani 1 1 d . . . . .
C24 C 0.7199(4) 0.4633(4) 0.2812(3) 0.0358(11) Uani 1 1 d . . . . .
C25 C 0.8325(4) 0.4232(4) 0.2514(3) 0.0404(12) Uani 1 1 d . . . . .
H25 H 0.8362 0.3773 0.2127 0.048 Uiso 1 1 calc R . . . .
C26 C 0.9337(4) 0.4521(4) 0.2795(3) 0.0429(12) Uani 1 1 d . . . . .
H26 H 1.0056 0.4259 0.2584 0.051 Uiso 1 1 calc R . . . .
C27 C 0.9341(4) 0.5202(4) 0.3395(3) 0.0379(11) Uani 1 1 d . . . . .
C28 C 1.0390(4) 0.5547(5) 0.3639(3) 0.0423(12) Uani 1 1 d . . . . .
H28 H 1.1105 0.5234 0.3486 0.051 Uiso 1 1 calc R . . . .
C29 C 1.0374(5) 0.6349(5) 0.4107(4) 0.0486(13) Uani 1 1 d . . . . .
H29 H 1.1082 0.6616 0.4224 0.058 Uiso 1 1 calc R . . . .
C30 C 0.9293(4) 0.6759(4) 0.4404(3) 0.0391(11) Uani 1 1 d . . . . .
C31 C 0.8207(4) 0.6284(4) 0.4334(3) 0.0366(11) Uani 1 1 d . . . . .
C32 C 0.7031(4) 0.6561(4) 0.4744(3) 0.0357(11) Uani 1 1 d . . . . .
C33 C 0.5998(4) 0.6432(4) 0.4315(3) 0.0334(10) Uani 1 1 d . . . . .
C34 C 0.6080(4) 0.5875(4) 0.3603(3) 0.0348(11) Uani 1 1 d . . . . .
C35 C 0.7165(4) 0.5338(4) 0.3374(3) 0.0338(10) Uani 1 1 d . . . . .
C36 C 0.8223(4) 0.5600(4) 0.3718(3) 0.0338(10) Uani 1 1 d . . . . .
C37 C 0.3419(4) 0.6136(4) 0.1645(3) 0.0394(11) Uani 1 1 d . . . . .
C38 C 0.2672(5) 0.6810(5) 0.1373(4) 0.0459(13) Uani 1 1 d . . . . .
C39 C 0.2256(6) 0.9061(5) -0.0063(5) 0.0651(17) Uani 1 1 d . . . . .
H39A H 0.2734 0.9419 0.0255 0.098 Uiso 1 1 calc GR . . . .
H39B H 0.1659 0.9569 -0.0326 0.098 Uiso 1 1 calc GR . . . .
H39C H 0.2749 0.8874 -0.0558 0.098 Uiso 1 1 calc GR . . . .
C40 C 0.0440(6) 0.8137(6) 0.1667(5) 0.0680(18) Uani 1 1 d . . . . .
H40A H 0.0023 0.7465 0.2083 0.102 Uiso 1 1 calc GR . . . .
H40B H -0.0117 0.8651 0.1344 0.102 Uiso 1 1 calc GR . . . .
H40C H 0.0851 0.8495 0.2025 0.102 Uiso 1 1 calc GR . . . .
C41 C 0.0814(6) 0.6935(6) 0.0142(5) 0.0697(19) Uani 1 1 d . . . . .
H41A H 0.1379 0.6835 -0.0356 0.105 Uiso 1 1 calc GR . . . .
H41B H 0.0153 0.7343 -0.0120 0.105 Uiso 1 1 calc GR . . . .
H41C H 0.0540 0.6206 0.0568 0.105 Uiso 1 1 calc GR . . . .
C42 C 0.6745(4) 0.2594(5) 0.2231(3) 0.0422(12) Uani 1 1 d . . . . .
C43 C 0.7226(5) 0.1684(5) 0.2472(4) 0.0446(12) Uani 1 1 d . . . . .
C44 C 0.7606(6) 0.0112(6) 0.4340(4) 0.0607(16) Uani 1 1 d . . . . .
H44A H 0.7757 0.0774 0.4517 0.091 Uiso 1 1 calc GR . . . .
H44B H 0.8059 -0.0502 0.4674 0.091 Uiso 1 1 calc GR . . . .
H44C H 0.6776 -0.0096 0.4494 0.091 Uiso 1 1 calc GR . . . .
C45 C 0.9659(5) 0.0825(6) 0.2691(5) 0.0684(18) Uani 1 1 d . . . . .
H45A H 0.9844 0.1008 0.2020 0.103 Uiso 1 1 calc GR . . . .
H45B H 1.0123 0.0201 0.2993 0.103 Uiso 1 1 calc GR . . . .
H45C H 0.9837 0.1472 0.2878 0.103 Uiso 1 1 calc GR . . . .
C46 C 0.7644(6) -0.0816(5) 0.2683(4) 0.0558(15) Uani 1 1 d . . . . .
H46A H 0.6838 -0.1060 0.2941 0.084 Uiso 1 1 calc GR . . . .
H46B H 0.8164 -0.1424 0.2914 0.084 Uiso 1 1 calc GR . . . .
H46C H 0.7721 -0.0605 0.2009 0.084 Uiso 1 1 calc GR . . . .
O3 O 1.2478(5) 0.9449(7) 0.3055(6) 0.145(3) Uani 1 1 d . . . . .
C47 C 1.4142(9) 0.9267(8) 0.1983(6) 0.108(3) Uani 1 1 d . . . . .
H47A H 1.3556 0.9089 0.1639 0.162 Uiso 1 1 calc GR . . . .
H47B H 1.4627 0.8623 0.2192 0.162 Uiso 1 1 calc GR . . . .
H47C H 1.4632 0.9901 0.1582 0.162 Uiso 1 1 calc GR . . . .
C48 C 1.3528(6) 0.9563(6) 0.2829(6) 0.076(2) Uani 1 1 d . . . . .
C49 C 1.4311(7) 0.9985(6) 0.3352(5) 0.081(2) Uani 1 1 d . . . . .
H49A H 1.3847 1.0171 0.3861 0.121 Uiso 1 1 calc GR . . . .
H49B H 1.4743 1.0651 0.2939 0.121 Uiso 1 1 calc GR . . . .
H49C H 1.4860 0.9412 0.3600 0.121 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Si1 C43 1.844(6) . ?
Si1 C44 1.872(6) . ?
Si1 C45 1.865(6) . ?
Si1 C46 1.862(6) . ?
Si2 C38 1.855(6) . ?
Si2 C39 1.852(7) . ?
Si2 C40 1.867(6) . ?
Si2 C41 1.861(6) . ?
O1 C1 1.440(6) . ?
O1 C3 1.359(6) . ?
O2 C2 1.432(6) . ?
O2 C30 1.369(6) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.426(7) . ?
C3 C32 1.409(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.352(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.430(6) . ?
C6 C7 1.414(6) . ?
C6 C33 1.406(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.371(7) . ?
C8 H8 0.9300 . ?
C8 C9 1.429(6) . ?
C9 C10 1.482(6) . ?
C9 C34 1.414(6) . ?
C10 C11 1.411(6) . ?
C10 C23 1.444(6) . ?
C11 C12 1.446(6) . ?
C11 C37 1.445(7) . ?
C12 C13 1.421(7) . ?
C12 C21 1.427(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.405(7) . ?
C14 C15 1.436(7) . ?
C14 C19 1.421(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.366(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.418(8) . ?
C17 H17 0.9300 . ?
C17 C18 1.358(8) . ?
C18 H18 0.9300 . ?
C18 C19 1.447(7) . ?
C19 C20 1.400(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.406(6) . ?
C21 C22 1.447(7) . ?
C22 C23 1.394(7) . ?
C22 C42 1.436(7) . ?
C23 C24 1.482(6) . ?
C24 C25 1.436(6) . ?
C24 C35 1.389(6) . ?
C25 H25 0.9300 . ?
C25 C26 1.362(7) . ?
C26 H26 0.9300 . ?
C26 C27 1.415(7) . ?
C27 C28 1.400(7) . ?
C27 C36 1.440(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.383(7) . ?
C29 H29 0.9300 . ?
C29 C30 1.399(7) . ?
C30 C31 1.401(7) . ?
C31 C32 1.481(6) . ?
C31 C36 1.436(6) . ?
C32 C33 1.443(6) . ?
C33 C34 1.437(6) . ?
C34 C35 1.448(6) . ?
C35 C36 1.446(6) . ?
C37 C38 1.204(7) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 C43 1.221(7) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
O3 C48 1.195(9) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C47 C48 1.518(11) . ?
C48 C49 1.458(10) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?

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
C43 Si1 C44 106.0(3) . . ?
C43 Si1 C45 106.6(3) . . ?
C43 Si1 C46 111.2(3) . . ?
C45 Si1 C44 111.9(3) . . ?
C46 Si1 C44 109.5(3) . . ?
C46 Si1 C45 111.5(3) . . ?
C38 Si2 C40 111.2(3) . . ?
C38 Si2 C41 105.4(3) . . ?
C39 Si2 C38 109.9(3) . . ?
C39 Si2 C40 109.1(3) . . ?
C39 Si2 C41 109.4(3) . . ?
C41 Si2 C40 111.8(3) . . ?
C3 O1 C1 118.5(4) . . ?
C30 O2 C2 118.7(4) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C2 H2A 109.5 . . ?
O2 C2 H2B 109.5 . . ?
O2 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O1 C3 C4 121.0(4) . . ?
O1 C3 C32 118.8(4) . . ?
C32 C3 C4 120.1(4) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.8(4) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.5(5) . . ?
C6 C5 H5 119.8 . . ?
C7 C6 C5 121.1(4) . . ?
C33 C6 C5 119.4(4) . . ?
C33 C6 C7 119.3(4) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.3(4) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 119.6 . . ?
C7 C8 C9 120.8(4) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 C10 121.2(4) . . ?
C34 C9 C8 118.8(4) . . ?
C34 C9 C10 119.7(4) . . ?
C11 C10 C9 123.4(4) . . ?
C11 C10 C23 118.4(4) . . ?
C23 C10 C9 118.2(4) . . ?
C10 C11 C12 120.5(4) . . ?
C10 C11 C37 124.3(4) . . ?
C37 C11 C12 115.0(4) . . ?
C13 C12 C11 121.5(4) . . ?
C13 C12 C21 119.1(4) . . ?
C21 C12 C11 119.3(4) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.5(5) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C15 121.3(5) . . ?
C13 C14 C19 120.7(4) . . ?
C19 C14 C15 118.0(5) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 C14 121.4(5) . . ?
C16 C15 H15 119.3 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.1(5) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.1(5) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.1(5) . . ?
C19 C18 H18 120.0 . . ?
C14 C19 C18 119.4(5) . . ?
C20 C19 C14 118.2(4) . . ?
C20 C19 C18 122.5(5) . . ?
C19 C20 H20 118.7 . . ?
C19 C20 C21 122.5(5) . . ?
C21 C20 H20 118.7 . . ?
C12 C21 C22 119.2(4) . . ?
C20 C21 C12 119.0(4) . . ?
C20 C21 C22 121.7(4) . . ?
C23 C22 C21 119.9(4) . . ?
C23 C22 C42 122.2(4) . . ?
C42 C22 C21 117.4(4) . . ?
C10 C23 C24 117.7(4) . . ?
C22 C23 C10 120.2(4) . . ?
C22 C23 C24 122.1(4) . . ?
C25 C24 C23 120.3(4) . . ?
C35 C24 C23 120.1(4) . . ?
C35 C24 C25 118.9(4) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.5(4) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 118.7 . . ?
C25 C26 C27 122.7(5) . . ?
C27 C26 H26 118.7 . . ?
C26 C27 C36 118.1(4) . . ?
C28 C27 C26 122.4(5) . . ?
C28 C27 C36 119.4(5) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.6(5) . . ?
C29 C28 H28 119.7 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0(5) . . ?
C30 C29 H29 120.0 . . ?
O2 C30 C29 121.7(4) . . ?
O2 C30 C31 117.0(4) . . ?
C29 C30 C31 121.3(5) . . ?
C30 C31 C32 124.7(4) . . ?
C30 C31 C36 117.4(4) . . ?
C36 C31 C32 117.4(4) . . ?
C3 C32 C31 123.6(4) . . ?
C3 C32 C33 117.3(4) . . ?
C33 C32 C31 118.9(4) . . ?
C6 C33 C32 120.0(4) . . ?
C6 C33 C34 119.8(4) . . ?
C34 C33 C32 120.2(4) . . ?
C9 C34 C33 119.8(4) . . ?
C9 C34 C35 119.6(4) . . ?
C33 C34 C35 120.6(4) . . ?
C24 C35 C34 121.3(4) . . ?
C24 C35 C36 121.1(4) . . ?
C36 C35 C34 117.6(4) . . ?
C27 C36 C35 118.6(4) . . ?
C31 C36 C27 119.0(4) . . ?
C31 C36 C35 122.4(4) . . ?
C38 C37 C11 170.1(5) . . ?
C37 C38 Si2 170.4(5) . . ?
Si2 C39 H39A 109.5 . . ?
Si2 C39 H39B 109.5 . . ?
Si2 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si2 C40 H40A 109.5 . . ?
Si2 C40 H40B 109.5 . . ?
Si2 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si2 C41 H41A 109.5 . . ?
Si2 C41 H41B 109.5 . . ?
Si2 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C22 172.7(5) . . ?
C42 C43 Si1 167.4(4) . . ?
Si1 C44 H44A 109.5 . . ?
Si1 C44 H44B 109.5 . . ?
Si1 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Si1 C45 H45A 109.5 . . ?
Si1 C45 H45B 109.5 . . ?
Si1 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si1 C46 H46A 109.5 . . ?
Si1 C46 H46B 109.5 . . ?
Si1 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C48 C47 H47A 109.5 . . ?
C48 C47 H47B 109.5 . . ?
C48 C47 H47C 109.5 . . ?
O3 C48 C47 122.3(8) . . ?
O3 C48 C49 122.5(9) . . ?
C49 C48 C47 115.3(7) . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?

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
O1 C3 C4 C5 -168.1(5) . . . . ?
O1 C3 C32 C31 -13.5(7) . . . . ?
O1 C3 C32 C33 160.8(4) . . . . ?
O2 C30 C31 C32 -10.3(7) . . . . ?
O2 C30 C31 C36 160.9(4) . . . . ?
C1 O1 C3 C4 -30.7(7) . . . . ?
C1 O1 C3 C32 152.6(5) . . . . ?
C2 O2 C30 C29 -10.3(7) . . . . ?
C2 O2 C30 C31 171.6(5) . . . . ?
C3 C4 C5 C6 1.6(8) . . . . ?
C3 C32 C33 C6 13.6(7) . . . . ?
C3 C32 C33 C34 -164.8(4) . . . . ?
C4 C3 C32 C31 169.7(5) . . . . ?
C4 C3 C32 C33 -15.9(7) . . . . ?
C4 C5 C6 C7 172.8(5) . . . . ?
C4 C5 C6 C33 -3.8(7) . . . . ?
C5 C6 C7 C8 -177.7(5) . . . . ?
C5 C6 C33 C32 -4.0(7) . . . . ?
C5 C6 C33 C34 174.4(4) . . . . ?
C6 C7 C8 C9 1.9(8) . . . . ?
C6 C33 C34 C9 4.8(7) . . . . ?
C6 C33 C34 C35 -172.3(4) . . . . ?
C7 C6 C33 C32 179.4(4) . . . . ?
C7 C6 C33 C34 -2.2(7) . . . . ?
C7 C8 C9 C10 174.4(4) . . . . ?
C7 C8 C9 C34 0.7(7) . . . . ?
C8 C9 C10 C11 19.1(7) . . . . ?
C8 C9 C10 C23 -157.8(4) . . . . ?
C8 C9 C34 C33 -4.0(7) . . . . ?
C8 C9 C34 C35 173.0(4) . . . . ?
C9 C10 C11 C12 -167.3(4) . . . . ?
C9 C10 C11 C37 16.7(7) . . . . ?
C9 C10 C23 C22 158.4(4) . . . . ?
C9 C10 C23 C24 -21.7(6) . . . . ?
C9 C34 C35 C24 -8.3(7) . . . . ?
C9 C34 C35 C36 169.1(4) . . . . ?
C10 C9 C34 C33 -177.8(4) . . . . ?
C10 C9 C34 C35 -0.7(7) . . . . ?
C10 C11 C12 C13 179.1(4) . . . . ?
C10 C11 C12 C21 3.0(7) . . . . ?
C10 C23 C24 C25 -157.3(4) . . . . ?
C10 C23 C24 C35 13.2(6) . . . . ?
C11 C10 C23 C22 -18.6(7) . . . . ?
C11 C10 C23 C24 161.2(4) . . . . ?
C11 C12 C13 C14 -175.3(4) . . . . ?
C11 C12 C21 C20 175.8(4) . . . . ?
C11 C12 C21 C22 -7.0(7) . . . . ?
C12 C13 C14 C15 -179.9(4) . . . . ?
C12 C13 C14 C19 -2.4(7) . . . . ?
C12 C21 C22 C23 -1.8(7) . . . . ?
C12 C21 C22 C42 170.5(4) . . . . ?
C13 C12 C21 C20 -0.4(7) . . . . ?
C13 C12 C21 C22 176.8(4) . . . . ?
C13 C14 C15 C16 176.4(5) . . . . ?
C13 C14 C19 C18 -176.6(5) . . . . ?
C13 C14 C19 C20 3.5(7) . . . . ?
C14 C15 C16 C17 0.0(8) . . . . ?
C14 C19 C20 C21 -3.1(7) . . . . ?
C15 C14 C19 C18 1.0(7) . . . . ?
C15 C14 C19 C20 -178.9(5) . . . . ?
C15 C16 C17 C18 1.4(8) . . . . ?
C16 C17 C18 C19 -1.6(8) . . . . ?
C17 C18 C19 C14 0.3(8) . . . . ?
C17 C18 C19 C20 -179.7(5) . . . . ?
C18 C19 C20 C21 176.9(5) . . . . ?
C19 C14 C15 C16 -1.1(7) . . . . ?
C19 C20 C21 C12 1.6(7) . . . . ?
C19 C20 C21 C22 -175.5(5) . . . . ?
C20 C21 C22 C23 175.3(4) . . . . ?
C20 C21 C22 C42 -12.3(7) . . . . ?
C21 C12 C13 C14 0.9(7) . . . . ?
C21 C22 C23 C10 14.8(7) . . . . ?
C21 C22 C23 C24 -165.1(4) . . . . ?
C22 C23 C24 C25 22.5(7) . . . . ?
C22 C23 C24 C35 -166.9(5) . . . . ?
C23 C10 C11 C12 9.6(7) . . . . ?
C23 C10 C11 C37 -166.3(4) . . . . ?
C23 C24 C25 C26 172.0(4) . . . . ?
C23 C24 C35 C34 2.0(7) . . . . ?
C23 C24 C35 C36 -175.3(4) . . . . ?
C24 C25 C26 C27 1.0(8) . . . . ?
C24 C35 C36 C27 5.7(7) . . . . ?
C24 C35 C36 C31 -177.1(4) . . . . ?
C25 C24 C35 C34 172.6(4) . . . . ?
C25 C24 C35 C36 -4.7(7) . . . . ?
C25 C26 C27 C28 -176.4(5) . . . . ?
C25 C26 C27 C36 0.1(7) . . . . ?
C26 C27 C28 C29 170.1(5) . . . . ?
C26 C27 C36 C31 179.4(4) . . . . ?
C26 C27 C36 C35 -3.3(7) . . . . ?
C27 C28 C29 C30 4.9(8) . . . . ?
C28 C27 C36 C31 -4.0(7) . . . . ?
C28 C27 C36 C35 173.3(4) . . . . ?
C28 C29 C30 O2 -170.7(5) . . . . ?
C28 C29 C30 C31 7.3(8) . . . . ?
C29 C30 C31 C32 171.5(5) . . . . ?
C29 C30 C31 C36 -17.3(7) . . . . ?
C30 C31 C32 C3 -32.2(7) . . . . ?
C30 C31 C32 C33 153.5(5) . . . . ?
C30 C31 C36 C27 15.4(6) . . . . ?
C30 C31 C36 C35 -161.7(4) . . . . ?
C31 C32 C33 C6 -171.7(4) . . . . ?
C31 C32 C33 C34 9.9(7) . . . . ?
C32 C3 C4 C5 8.6(8) . . . . ?
C32 C31 C36 C27 -172.8(4) . . . . ?
C32 C31 C36 C35 10.1(7) . . . . ?
C32 C33 C34 C9 -176.8(4) . . . . ?
C32 C33 C34 C35 6.2(7) . . . . ?
C33 C6 C7 C8 -1.1(7) . . . . ?
C33 C34 C35 C24 168.8(4) . . . . ?
C33 C34 C35 C36 -13.8(6) . . . . ?
C34 C9 C10 C11 -167.2(4) . . . . ?
C34 C9 C10 C23 15.8(6) . . . . ?
C34 C35 C36 C27 -171.7(4) . . . . ?
C34 C35 C36 C31 5.4(6) . . . . ?
C35 C24 C25 C26 1.3(7) . . . . ?
C36 C27 C28 C29 -6.4(7) . . . . ?
C36 C31 C32 C3 156.6(5) . . . . ?
C36 C31 C32 C33 -17.7(6) . . . . ?
C37 C11 C12 C13 -4.6(6) . . . . ?
C37 C11 C12 C21 179.3(4) . . . . ?
C42 C22 C23 C10 -157.2(5) . . . . ?
C42 C22 C23 C24 22.9(7) . . . . ?
C44 Si1 C43 C42 43(2) . . . . ?
C45 Si1 C43 C42 -76(2) . . . . ?
C46 Si1 C43 C42 162(2) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
