# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_wa3034
_database_code_depnum_ccdc_archive 'CCDC 2078581'
loop_
_audit_author_name
_audit_author_address
'Michael Bolte'
;Goethe University Frankfurt
Germany
;
_audit_update_record             
;
2021-04-19 deposited with the CCDC.	2021-08-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H20 P, C3 Cl11 Si3'
_chemical_formula_sum            'C27 H20 Cl11 P Si3'
_chemical_formula_weight         849.62

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.4583(5)
_cell_length_b                   18.6349(7)
_cell_length_c                   14.6168(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.151(3)
_cell_angle_gamma                90
_cell_volume                     3651.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    31190
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      26.03

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_F_000             1704
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.999
_shelx_estimated_absorpt_T_min   0.721
_shelx_estimated_absorpt_T_max   0.841
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.316
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'X-Area (Stoe & Cie, 2001)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Genix 3D I\mS microfocus X-ray source'
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31190
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.039
_diffrn_reflns_theta_max         25.830
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6838
_reflns_number_gt                5619
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_cell_refinement       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'X-Area (Stoe & Cie, 2001)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  SHELXL
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0517P)²+3.6937P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6838
_refine_ls_number_parameters     379
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0382
_refine_ls_wR_factor_ref         0.1019
_refine_ls_wR_factor_gt          0.0940
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.71382(18) 0.50878(13) 0.83834(17) 0.0231(5) Uani 1 1 d . . . . .
C2 C 0.65437(19) 0.51057(12) 0.74782(17) 0.0226(5) Uani 1 1 d . . . . .
C3 C 0.55514(19) 0.51835(14) 0.73852(18) 0.0272(5) Uani 1 1 d . . . . .
Si1 Si 0.75362(5) 0.42537(4) 0.88464(5) 0.02699(16) Uani 1 1 d . . . . .
Si2 Si 0.73312(5) 0.58789(4) 0.90353(5) 0.02702(16) Uani 1 1 d . . . . .
Si3 Si 0.72304(6) 0.50862(4) 0.64303(5) 0.03049(18) Uani 1 1 d . . . . .
Cl11 Cl 0.67814(8) 0.38784(5) 0.99197(8) 0.0672(3) Uani 1 1 d . . . . .
Cl12 Cl 0.89942(5) 0.42141(4) 0.93942(5) 0.03921(18) Uani 1 1 d . . . . .
Cl13 Cl 0.73917(6) 0.34475(4) 0.78815(6) 0.0513(2) Uani 1 1 d . . . . .
Cl21 Cl 0.87887(6) 0.61567(5) 0.93884(9) 0.0697(3) Uani 1 1 d . . . . .
Cl22 Cl 0.67729(9) 0.58557(5) 1.03096(6) 0.0629(3) Uani 1 1 d . . . . .
Cl23 Cl 0.67050(7) 0.67608(4) 0.83837(6) 0.0506(2) Uani 1 1 d . . . . .
Cl31 Cl 0.68140(8) 0.42934(5) 0.55147(6) 0.0601(3) Uani 1 1 d . . . . .
Cl32 Cl 0.87081(6) 0.49321(5) 0.67741(6) 0.0531(2) Uani 1 1 d . . . . .
Cl33 Cl 0.70981(7) 0.60291(5) 0.57189(6) 0.0539(2) Uani 1 1 d . . . . .
Cl34 Cl 0.48255(5) 0.52422(5) 0.82961(5) 0.04335(19) Uani 1 1 d . . . . .
Cl35 Cl 0.48574(5) 0.52468(4) 0.63293(5) 0.03985(18) Uani 1 1 d . . . . .
P1 P 0.66465(5) 0.15011(3) 0.18940(4) 0.02228(14) Uani 1 1 d . . . . .
C11 C 0.58303(19) 0.16457(14) 0.08698(18) 0.0258(5) Uani 1 1 d . . . . .
C12 C 0.5517(2) 0.23409(15) 0.0638(2) 0.0370(7) Uani 1 1 d . . . . .
H12 H 0.571295 0.273229 0.102943 0.044 Uiso 1 1 calc R U . . .
C13 C 0.4916(3) 0.24551(17) -0.0170(2) 0.0463(8) Uani 1 1 d . . . . .
H13 H 0.470526 0.292769 -0.033627 0.056 Uiso 1 1 calc R U . . .
C14 C 0.4624(2) 0.18892(18) -0.0731(2) 0.0461(8) Uani 1 1 d . . . . .
H14 H 0.421274 0.197322 -0.128346 0.055 Uiso 1 1 calc R U . . .
C15 C 0.4922(2) 0.11971(17) -0.0500(2) 0.0420(7) Uani 1 1 d . . . . .
H15 H 0.471261 0.080798 -0.089100 0.050 Uiso 1 1 calc R U . . .
C16 C 0.5527(2) 0.10730(15) 0.0300(2) 0.0331(6) Uani 1 1 d . . . . .
H16 H 0.573447 0.059866 0.046096 0.040 Uiso 1 1 calc R U . . .
C21 C 0.62131(19) 0.20372(13) 0.27995(17) 0.0255(5) Uani 1 1 d . . . . .
C22 C 0.5196(2) 0.21486(16) 0.2846(2) 0.0357(6) Uani 1 1 d . . . . .
H22 H 0.472627 0.194093 0.239829 0.043 Uiso 1 1 calc R U . . .
C23 C 0.4870(2) 0.25636(17) 0.3547(2) 0.0404(7) Uani 1 1 d . . . . .
H23 H 0.417651 0.264430 0.357780 0.049 Uiso 1 1 calc R U . . .
C24 C 0.5553(2) 0.28595(14) 0.4201(2) 0.0363(7) Uani 1 1 d . . . . .
H24 H 0.532877 0.315185 0.467380 0.044 Uiso 1 1 calc R U . . .
C25 C 0.6558(2) 0.27335(15) 0.4172(2) 0.0358(6) Uani 1 1 d . . . . .
H25 H 0.702195 0.292637 0.463610 0.043 Uiso 1 1 calc R U . . .
C26 C 0.6895(2) 0.23258(14) 0.34686(18) 0.0298(6) Uani 1 1 d . . . . .
H26 H 0.758940 0.224449 0.344478 0.036 Uiso 1 1 calc R U . . .
C31 C 0.66676(18) 0.05730(13) 0.22008(17) 0.0243(5) Uani 1 1 d . . . . .
C32 C 0.6093(2) 0.03205(15) 0.28828(19) 0.0327(6) Uani 1 1 d . . . . .
H32 H 0.568735 0.064193 0.318999 0.039 Uiso 1 1 calc R U . . .
C33 C 0.6119(3) -0.04004(17) 0.3108(2) 0.0424(7) Uani 1 1 d . . . . .
H33 H 0.572039 -0.057637 0.356334 0.051 Uiso 1 1 calc R U . . .
C34 C 0.6722(2) -0.08654(15) 0.2673(2) 0.0391(7) Uani 1 1 d . . . . .
H34 H 0.674744 -0.135774 0.284183 0.047 Uiso 1 1 calc R U . . .
C35 C 0.7288(2) -0.06208(15) 0.1992(2) 0.0361(6) Uani 1 1 d . . . . .
H35 H 0.769556 -0.094521 0.169157 0.043 Uiso 1 1 calc R U . . .
C36 C 0.7260(2) 0.00974(14) 0.17510(19) 0.0287(6) Uani 1 1 d . . . . .
H36 H 0.764363 0.026639 0.128026 0.034 Uiso 1 1 calc R U . . .
C41 C 0.79049(18) 0.17675(13) 0.17314(17) 0.0235(5) Uani 1 1 d . . . . .
C42 C 0.8098(2) 0.22855(13) 0.10868(18) 0.0276(5) Uani 1 1 d . . . . .
H42 H 0.756964 0.247601 0.068432 0.033 Uiso 1 1 calc R U . . .
C43 C 0.9074(2) 0.25232(15) 0.1036(2) 0.0346(6) Uani 1 1 d . . . . .
H43 H 0.921111 0.287849 0.059875 0.042 Uiso 1 1 calc R U . . .
C44 C 0.9841(2) 0.22445(16) 0.1619(2) 0.0369(7) Uani 1 1 d . . . . .
H44 H 1.050318 0.241138 0.158439 0.044 Uiso 1 1 calc R U . . .
C45 C 0.9648(2) 0.17212(17) 0.2254(2) 0.0374(7) Uani 1 1 d . . . . .
H45 H 1.017980 0.152813 0.265054 0.045 Uiso 1 1 calc R U . . .
C46 C 0.8684(2) 0.14800(15) 0.23131(19) 0.0308(6) Uani 1 1 d . . . . .
H46 H 0.855202 0.112051 0.274704 0.037 Uiso 1 1 calc R U . . .


_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
C1 C2 1.484(3) . ?
C1 Si1 1.760(2) . ?
C1 Si2 1.762(3) . ?
C2 C3 1.338(4) . ?
C2 Si3 1.859(3) . ?
C3 Cl34 1.724(3) . ?
C3 Cl35 1.735(3) . ?
Si1 Cl12 2.0530(10) . ?
Si1 Cl13 2.0578(11) . ?
Si1 Cl11 2.0660(11) . ?
Si2 Cl23 2.0430(10) . ?
Si2 Cl21 2.0494(11) . ?
Si2 Cl22 2.0706(11) . ?
Si3 Cl32 2.0275(11) . ?
Si3 Cl31 2.0380(11) . ?
Si3 Cl33 2.0414(11) . ?
P1 C31 1.786(3) . ?
P1 C11 1.796(3) . ?
P1 C21 1.797(3) . ?
P1 C41 1.801(3) . ?
C11 C16 1.392(4) . ?
C11 C12 1.395(4) . ?
C12 C13 1.387(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.371(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.383(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.384(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C21 C26 1.388(4) . ?
C21 C22 1.393(4) . ?
C22 C23 1.386(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.380(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.377(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(4) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C36 1.396(4) . ?
C31 C32 1.397(4) . ?
C32 C33 1.383(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.381(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.384(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.384(4) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C41 C42 1.390(3) . ?
C41 C46 1.396(4) . ?
C42 C43 1.394(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.379(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.387(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.384(4) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?

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
C2 C1 Si1 118.95(18) . . ?
C2 C1 Si2 120.33(17) . . ?
Si1 C1 Si2 120.41(14) . . ?
C3 C2 C1 123.1(2) . . ?
C3 C2 Si3 118.94(19) . . ?
C1 C2 Si3 117.78(18) . . ?
C2 C3 Cl34 123.9(2) . . ?
C2 C3 Cl35 123.4(2) . . ?
Cl34 C3 Cl35 112.68(15) . . ?
C1 Si1 Cl12 115.41(9) . . ?
C1 Si1 Cl13 111.99(9) . . ?
Cl12 Si1 Cl13 105.62(4) . . ?
C1 Si1 Cl11 115.95(9) . . ?
Cl12 Si1 Cl11 102.10(5) . . ?
Cl13 Si1 Cl11 104.52(5) . . ?
C1 Si2 Cl23 112.73(9) . . ?
C1 Si2 Cl21 116.03(9) . . ?
Cl23 Si2 Cl21 105.05(5) . . ?
C1 Si2 Cl22 114.91(9) . . ?
Cl23 Si2 Cl22 105.57(5) . . ?
Cl21 Si2 Cl22 101.25(6) . . ?
C2 Si3 Cl32 110.35(9) . . ?
C2 Si3 Cl31 115.31(9) . . ?
Cl32 Si3 Cl31 105.42(5) . . ?
C2 Si3 Cl33 112.07(8) . . ?
Cl32 Si3 Cl33 106.68(5) . . ?
Cl31 Si3 Cl33 106.45(5) . . ?
C31 P1 C11 110.45(12) . . ?
C31 P1 C21 110.63(12) . . ?
C11 P1 C21 108.41(12) . . ?
C31 P1 C41 107.82(12) . . ?
C11 P1 C41 111.14(12) . . ?
C21 P1 C41 108.37(12) . . ?
C16 C11 C12 120.0(2) . . ?
C16 C11 P1 120.5(2) . . ?
C12 C11 P1 119.4(2) . . ?
C13 C12 C11 119.4(3) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C14 C13 C12 120.3(3) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 120.7(3) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C16 119.9(3) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
C15 C16 C11 119.8(3) . . ?
C15 C16 H16 120.1 . . ?
C11 C16 H16 120.1 . . ?
C26 C21 C22 119.9(2) . . ?
C26 C21 P1 119.8(2) . . ?
C22 C21 P1 120.3(2) . . ?
C23 C22 C21 119.8(3) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C24 C23 C22 120.0(3) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C25 C24 C23 120.4(3) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 120.2(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C21 119.6(3) . . ?
C25 C26 H26 120.2 . . ?
C21 C26 H26 120.2 . . ?
C36 C31 C32 119.9(2) . . ?
C36 C31 P1 119.56(19) . . ?
C32 C31 P1 120.5(2) . . ?
C33 C32 C31 119.6(3) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C34 C33 C32 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 120.6(3) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 H34 119.7 . . ?
C34 C35 C36 119.9(3) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C35 C36 C31 119.8(3) . . ?
C35 C36 H36 120.1 . . ?
C31 C36 H36 120.1 . . ?
C42 C41 C46 120.3(2) . . ?
C42 C41 P1 121.1(2) . . ?
C46 C41 P1 118.51(19) . . ?
C41 C42 C43 119.4(3) . . ?
C41 C42 H42 120.3 . . ?
C43 C42 H42 120.3 . . ?
C44 C43 C42 120.3(3) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 120.3(3) . . ?
C43 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C46 C45 C44 120.2(3) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C45 C46 C41 119.7(3) . . ?
C45 C46 H46 120.2 . . ?
C41 C46 H46 120.2 . . ?

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
Si1 C1 C2 C3 100.8(3) . . . . ?
Si2 C1 C2 C3 -72.8(3) . . . . ?
Si1 C1 C2 Si3 -83.9(2) . . . . ?
Si2 C1 C2 Si3 102.6(2) . . . . ?
C1 C2 C3 Cl34 -2.3(4) . . . . ?
Si3 C2 C3 Cl34 -177.62(14) . . . . ?
C1 C2 C3 Cl35 176.89(19) . . . . ?
Si3 C2 C3 Cl35 1.6(3) . . . . ?
C2 C1 Si1 Cl12 135.20(18) . . . . ?
Si2 C1 Si1 Cl12 -51.27(18) . . . . ?
C2 C1 Si1 Cl13 14.3(2) . . . . ?
Si2 C1 Si1 Cl13 -172.16(12) . . . . ?
C2 C1 Si1 Cl11 -105.51(19) . . . . ?
Si2 C1 Si1 Cl11 68.02(17) . . . . ?
C2 C1 Si2 Cl23 -2.0(2) . . . . ?
Si1 C1 Si2 Cl23 -175.44(12) . . . . ?
C2 C1 Si2 Cl21 -123.19(19) . . . . ?
Si1 C1 Si2 Cl21 63.37(17) . . . . ?
C2 C1 Si2 Cl22 119.02(19) . . . . ?
Si1 C1 Si2 Cl22 -54.42(17) . . . . ?
C3 C2 Si3 Cl32 -178.21(18) . . . . ?
C1 C2 Si3 Cl32 6.2(2) . . . . ?
C3 C2 Si3 Cl31 -58.9(2) . . . . ?
C1 C2 Si3 Cl31 125.50(17) . . . . ?
C3 C2 Si3 Cl33 63.1(2) . . . . ?
C1 C2 Si3 Cl33 -112.50(17) . . . . ?
C31 P1 C11 C16 -16.8(3) . . . . ?
C21 P1 C11 C16 -138.2(2) . . . . ?
C41 P1 C11 C16 102.8(2) . . . . ?
C31 P1 C11 C12 164.5(2) . . . . ?
C21 P1 C11 C12 43.1(3) . . . . ?
C41 P1 C11 C12 -75.9(2) . . . . ?
C16 C11 C12 C13 -1.0(4) . . . . ?
P1 C11 C12 C13 177.7(2) . . . . ?
C11 C12 C13 C14 0.7(5) . . . . ?
C12 C13 C14 C15 0.1(5) . . . . ?
C13 C14 C15 C16 -0.4(5) . . . . ?
C14 C15 C16 C11 0.1(5) . . . . ?
C12 C11 C16 C15 0.7(4) . . . . ?
P1 C11 C16 C15 -178.1(2) . . . . ?
C31 P1 C21 C26 92.0(2) . . . . ?
C11 P1 C21 C26 -146.7(2) . . . . ?
C41 P1 C21 C26 -26.0(2) . . . . ?
C31 P1 C21 C22 -86.3(2) . . . . ?
C11 P1 C21 C22 34.9(2) . . . . ?
C41 P1 C21 C22 155.7(2) . . . . ?
C26 C21 C22 C23 1.7(4) . . . . ?
P1 C21 C22 C23 -180.0(2) . . . . ?
C21 C22 C23 C24 -0.6(5) . . . . ?
C22 C23 C24 C25 -1.3(5) . . . . ?
C23 C24 C25 C26 2.0(4) . . . . ?
C24 C25 C26 C21 -0.8(4) . . . . ?
C22 C21 C26 C25 -1.0(4) . . . . ?
P1 C21 C26 C25 -179.3(2) . . . . ?
C11 P1 C31 C36 80.3(2) . . . . ?
C21 P1 C31 C36 -159.6(2) . . . . ?
C41 P1 C31 C36 -41.3(2) . . . . ?
C11 P1 C31 C32 -99.4(2) . . . . ?
C21 P1 C31 C32 20.6(3) . . . . ?
C41 P1 C31 C32 139.0(2) . . . . ?
C36 C31 C32 C33 0.1(4) . . . . ?
P1 C31 C32 C33 179.8(2) . . . . ?
C31 C32 C33 C34 1.1(4) . . . . ?
C32 C33 C34 C35 -1.5(5) . . . . ?
C33 C34 C35 C36 0.7(5) . . . . ?
C34 C35 C36 C31 0.6(4) . . . . ?
C32 C31 C36 C35 -1.0(4) . . . . ?
P1 C31 C36 C35 179.3(2) . . . . ?
C31 P1 C41 C42 147.2(2) . . . . ?
C11 P1 C41 C42 26.0(2) . . . . ?
C21 P1 C41 C42 -93.0(2) . . . . ?
C31 P1 C41 C46 -37.4(2) . . . . ?
C11 P1 C41 C46 -158.6(2) . . . . ?
C21 P1 C41 C46 82.4(2) . . . . ?
C46 C41 C42 C43 -1.0(4) . . . . ?
P1 C41 C42 C43 174.4(2) . . . . ?
C41 C42 C43 C44 0.2(4) . . . . ?
C42 C43 C44 C45 0.5(4) . . . . ?
C43 C44 C45 C46 -0.5(5) . . . . ?
C44 C45 C46 C41 -0.2(4) . . . . ?
C42 C41 C46 C45 1.0(4) . . . . ?
P1 C41 C46 C45 -174.5(2) . . . . ?

_refine_diff_density_max         0.532
_refine_diff_density_min         -0.519
_refine_diff_density_rms         0.065



