# 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_sad_a
_database_code_depnum_ccdc_archive 'CCDC 2014280'
loop_
_audit_author_name
_audit_author_address
'Werner Uhl'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2020-07-06 deposited with the CCDC.	2021-01-18 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         ?
_chemical_formula_sum            'C74 H86 Li4 O2 P2 Si4'
_chemical_formula_weight         1209.48

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'
Li Li -0.0003 0.0001 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   11.4716(4)
_cell_length_b                   12.6646(5)
_cell_length_c                   12.7092(5)
_cell_angle_alpha                85.9440(10)
_cell_angle_beta                 86.3460(10)
_cell_angle_gamma                68.4460(10)
_cell_volume                     1711.60(11)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9989
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      30.05
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_F_000             644
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.161
_exptl_crystal_size_mid          0.158
_exptl_crystal_size_min          0.052
_exptl_absorpt_coefficient_mu    0.178
_shelx_estimated_absorpt_T_min   0.972
_shelx_estimated_absorpt_T_max   0.991
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6591
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25478
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.058
_diffrn_reflns_theta_max         30.055
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             9883
_reflns_number_gt                7636
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0643P)²+1.2771P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         9883
_refine_ls_number_parameters     393
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0579
_refine_ls_wR_factor_ref         0.1479
_refine_ls_wR_factor_gt          0.1392
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_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
P1 P 0.60917(4) 0.41189(4) 0.86157(3) 0.01283(10) Uani 1 1 d . . . . .
C1 C 0.58015(16) 0.56031(15) 0.85942(13) 0.0124(3) Uani 1 1 d . . . . .
C2 C 0.68702(17) 0.57897(16) 0.89457(13) 0.0149(3) Uani 1 1 d . . . . .
C3 C 0.68796(18) 0.69017(17) 0.89599(15) 0.0190(4) Uani 1 1 d . . . . .
H3 H 0.758501 0.702295 0.920157 0.023 Uiso 1 1 calc R U . . .
C4 C 0.58552(19) 0.78022(17) 0.86196(15) 0.0206(4) Uani 1 1 d . . . . .
H4 H 0.585610 0.855207 0.861905 0.025 Uiso 1 1 calc R U . . .
C5 C 0.48030(18) 0.76288(16) 0.82713(15) 0.0185(4) Uani 1 1 d . . . . .
H5 H 0.410832 0.826954 0.803778 0.022 Uiso 1 1 calc R U . . .
C6 C 0.47429(17) 0.65549(15) 0.82564(13) 0.0137(3) Uani 1 1 d . . . . .
C7 C 0.35960(17) 0.64614(15) 0.78656(13) 0.0149(3) Uani 1 1 d . . . . .
H7 H 0.285066 0.718810 0.784596 0.018 Uiso 1 1 calc R U . . .
C8 C 0.33213(16) 0.55095(15) 0.78442(13) 0.0144(3) Uani 1 1 d . . . . .
C9 C 0.78710(17) 0.47558(16) 0.92170(13) 0.0155(3) Uani 1 1 d . . . . .
H9 H 0.871059 0.473452 0.941175 0.019 Uiso 1 1 calc R U . . .
C10 C 0.76252(16) 0.37779(16) 0.90974(13) 0.0149(3) Uani 1 1 d . . . . .
Si1 Si 0.18331(5) 0.56913(4) 0.72374(4) 0.01476(12) Uani 1 1 d . . . . .
C11 C 0.08236(19) 0.72133(18) 0.69044(16) 0.0239(4) Uani 1 1 d . . . . .
H11A H 0.067935 0.765556 0.753433 0.036 Uiso 1 1 calc R U . . .
H11B H 0.001778 0.724629 0.665880 0.036 Uiso 1 1 calc R U . . .
H11C H 0.124823 0.753056 0.634682 0.036 Uiso 1 1 calc R U . . .
C12 C 0.0882(2) 0.5010(2) 0.80883(16) 0.0259(4) Uani 1 1 d . . . . .
H12A H 0.138801 0.420779 0.823977 0.039 Uiso 1 1 calc R U . . .
H12B H 0.013529 0.506875 0.771836 0.039 Uiso 1 1 calc R U . . .
H12C H 0.062556 0.539891 0.875186 0.039 Uiso 1 1 calc R U . . .
C13 C 0.22348(17) 0.49538(15) 0.59490(14) 0.0148(3) Uani 1 1 d . . . . .
C14 C 0.32389(18) 0.50174(17) 0.52949(15) 0.0193(4) Uani 1 1 d . . . . .
H14 H 0.375590 0.538332 0.553279 0.023 Uiso 1 1 calc R U . . .
C15 C 0.34987(19) 0.45587(18) 0.43063(15) 0.0220(4) Uani 1 1 d . . . . .
H15 H 0.417869 0.462271 0.387395 0.026 Uiso 1 1 calc R U . . .
C16 C 0.27635(19) 0.40068(17) 0.39510(15) 0.0217(4) Uani 1 1 d . . . . .
H16 H 0.293828 0.369021 0.327693 0.026 Uiso 1 1 calc R U . . .
C17 C 0.17762(19) 0.39229(19) 0.45869(16) 0.0239(4) Uani 1 1 d . . . . .
H17 H 0.127231 0.354323 0.435042 0.029 Uiso 1 1 calc R U . . .
C18 C 0.15157(18) 0.43908(17) 0.55710(15) 0.0203(4) Uani 1 1 d . . . . .
H18 H 0.083165 0.432603 0.599705 0.024 Uiso 1 1 calc R U . . .
Si2 Si 0.88278(5) 0.23211(4) 0.92043(4) 0.01544(12) Uani 1 1 d . . . . .
C21 C 0.8127(2) 0.12955(18) 0.98140(17) 0.0251(4) Uani 1 1 d . . . . .
H21A H 0.785150 0.148419 1.054569 0.038 Uiso 1 1 calc R U . . .
H21B H 0.875594 0.052268 0.980244 0.038 Uiso 1 1 calc R U . . .
H21C H 0.740615 0.134083 0.941409 0.038 Uiso 1 1 calc R U . . .
C22 C 1.01543(19) 0.23124(19) 0.99952(16) 0.0236(4) Uani 1 1 d . . . . .
H22A H 1.049787 0.286879 0.967518 0.035 Uiso 1 1 calc R U . . .
H22B H 1.081195 0.155314 1.000492 0.035 Uiso 1 1 calc R U . . .
H22C H 0.984719 0.251061 1.071925 0.035 Uiso 1 1 calc R U . . .
C23 C 0.94578(17) 0.18986(16) 0.78365(14) 0.0171(4) Uani 1 1 d . . . . .
C24 C 1.01703(19) 0.07678(18) 0.76174(16) 0.0237(4) Uani 1 1 d . . . . .
H24 H 1.034860 0.020075 0.817746 0.028 Uiso 1 1 calc R U . . .
C25 C 1.0622(2) 0.04562(19) 0.66008(17) 0.0273(5) Uani 1 1 d . . . . .
H25 H 1.110651 -0.031564 0.647293 0.033 Uiso 1 1 calc R U . . .
C26 C 1.0367(2) 0.12692(19) 0.57749(16) 0.0261(4) Uani 1 1 d . . . . .
H26 H 1.066286 0.105638 0.507717 0.031 Uiso 1 1 calc R U . . .
C27 C 0.9677(2) 0.23964(19) 0.59708(15) 0.0241(4) Uani 1 1 d . . . . .
H27 H 0.951100 0.295919 0.540736 0.029 Uiso 1 1 calc R U . . .
C28 C 0.92275(19) 0.27056(17) 0.69873(15) 0.0199(4) Uani 1 1 d . . . . .
H28 H 0.875373 0.348101 0.710956 0.024 Uiso 1 1 calc R U . . .
Li1 Li 0.4446(3) 0.3782(3) 0.7686(3) 0.0250(7) Uani 1 1 d . . . . .
Li2 Li 0.3717(3) 0.5237(3) 0.9512(3) 0.0217(7) Uani 1 1 d . . . . .
O1 O 0.42449(16) 0.23793(13) 0.77187(12) 0.0295(3) Uani 1 1 d . . . . .
C31 C 0.4672(2) 0.1576(2) 0.86127(18) 0.0324(5) Uani 1 1 d . . . . .
H31A H 0.466537 0.197547 0.925659 0.039 Uiso 1 1 calc R U . . .
H31B H 0.553231 0.102796 0.846949 0.039 Uiso 1 1 calc R U . . .
C32 C 0.3748(3) 0.0983(2) 0.8737(2) 0.0407(6) Uani 1 1 d . . . . .
H32A H 0.295731 0.145153 0.910163 0.049 Uiso 1 1 calc R U . . .
H32B H 0.410231 0.023455 0.912189 0.049 Uiso 1 1 calc R U . . .
C33 C 0.3555(3) 0.0858(3) 0.7582(3) 0.0586(9) Uani 1 1 d . . . . .
H33A H 0.423274 0.018671 0.729808 0.070 Uiso 1 1 calc R U . . .
H33B H 0.273754 0.078152 0.749936 0.070 Uiso 1 1 calc R U . . .
C34 C 0.3588(3) 0.1937(2) 0.7033(2) 0.0356(6) Uani 1 1 d . . . . .
H34A H 0.403617 0.178137 0.633653 0.043 Uiso 1 1 calc R U . . .
H34B H 0.272591 0.248957 0.692760 0.043 Uiso 1 1 calc R U . . .
C41 C 0.6386(3) 0.2210(3) 0.5137(3) 0.0620(9) Uani 1 1 d . . . . .
H41A H 0.561543 0.272389 0.547788 0.093 Uiso 1 1 calc R U . . .
H41B H 0.624666 0.217040 0.439079 0.093 Uiso 1 1 calc R U . . .
H41C H 0.706410 0.249673 0.519486 0.093 Uiso 1 1 calc R U . . .
C42 C 0.6739(2) 0.1052(2) 0.5668(2) 0.0372(6) Uani 1 1 d . . . . .
C43 C 0.7375(2) 0.0791(2) 0.6583(2) 0.0393(6) Uani 1 1 d . . . . .
H43 H 0.759722 0.135262 0.688524 0.047 Uiso 1 1 calc R U . . .
C44 C 0.7703(2) -0.0302(2) 0.7083(2) 0.0378(6) Uani 1 1 d . . . . .
H44 H 0.815662 -0.047913 0.771179 0.045 Uiso 1 1 calc R U . . .
C45 C 0.7368(2) -0.1111(2) 0.6660(2) 0.0369(6) Uani 1 1 d . . . . .
H45 H 0.758307 -0.184812 0.699464 0.044 Uiso 1 1 calc R U . . .
C46 C 0.6716(3) -0.0844(2) 0.5746(2) 0.0440(6) Uani 1 1 d . . . . .
H46 H 0.646841 -0.139476 0.545243 0.053 Uiso 1 1 calc R U . . .
C47 C 0.6424(3) 0.0220(2) 0.5256(2) 0.0429(6) Uani 1 1 d . . . . .
H47 H 0.599261 0.038619 0.461505 0.051 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
P1 C1 1.7829(18) . ?
P1 C10 1.7882(18) . ?
P1 Li1 2.468(3) . ?
P1 Li2 2.616(3) 2_667 ?
P1 Li2 2.779(3) . ?
C1 C6 1.425(3) . ?
C1 C2 1.434(2) . ?
C1 Li2 2.570(4) 2_667 ?
C1 Li2 2.771(4) . ?
C2 C3 1.414(3) . ?
C2 C9 1.426(3) . ?
C2 Li2 2.470(4) 2_667 ?
C3 C4 1.371(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.406(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.483(2) . ?
C6 Li2 2.747(4) . ?
C7 C8 1.356(2) . ?
C7 Li2 2.495(4) . ?
C7 H7 1.0000 . ?
C8 Si1 1.8483(18) . ?
C8 Li1 2.109(4) . ?
C8 Li2 2.174(4) . ?
C9 C10 1.387(3) . ?
C9 Li2 2.354(4) 2_667 ?
C9 H9 1.0000 . ?
C10 Si2 1.8558(19) . ?
C10 Li2 2.367(4) 2_667 ?
Si1 C12 1.874(2) . ?
Si1 C11 1.882(2) . ?
Si1 C13 1.8893(18) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.397(2) . ?
C13 C14 1.400(3) . ?
C14 C15 1.390(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.389(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.381(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
Si2 C21 1.865(2) . ?
Si2 C22 1.873(2) . ?
Si2 C23 1.8755(19) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C28 1.400(3) . ?
C23 C24 1.401(3) . ?
C24 C25 1.389(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.386(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
Li1 O1 1.871(4) . ?
Li1 Li2 2.951(5) . ?
Li2 Li2 3.102(7) 2_667 ?
O1 C34 1.450(3) . ?
O1 C31 1.452(3) . ?
C31 C32 1.504(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.526(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.501(4) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C41 C42 1.493(4) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.367(4) . ?
C42 C47 1.378(4) . ?
C43 C44 1.409(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.371(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.375(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.376(4) . ?
C46 H46 0.9500 . ?
C47 H47 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
C1 P1 C10 91.45(8) . . ?
C1 P1 Li1 110.21(10) . . ?
C10 P1 Li1 155.80(10) . . ?
C1 P1 Li2 68.49(10) . 2_667 ?
C10 P1 Li2 61.67(9) . 2_667 ?
Li1 P1 Li2 135.64(12) . 2_667 ?
C1 P1 Li2 71.01(9) . . ?
C10 P1 Li2 131.78(9) . . ?
Li1 P1 Li2 68.15(11) . . ?
Li2 P1 Li2 70.11(12) 2_667 . ?
C6 C1 C2 119.16(16) . . ?
C6 C1 P1 130.44(13) . . ?
C2 C1 P1 110.34(13) . . ?
C6 C1 Li2 127.54(14) . 2_667 ?
C2 C1 Li2 69.68(12) . 2_667 ?
P1 C1 Li2 71.31(10) . 2_667 ?
C6 C1 Li2 74.12(12) . . ?
C2 C1 Li2 137.05(13) . . ?
P1 C1 Li2 71.51(9) . . ?
Li2 C1 Li2 70.90(13) 2_667 . ?
C3 C2 C9 126.62(17) . . ?
C3 C2 C1 120.73(17) . . ?
C9 C2 C1 112.61(16) . . ?
C3 C2 Li2 124.20(15) . 2_667 ?
C9 C2 Li2 68.41(13) . 2_667 ?
C1 C2 Li2 77.33(13) . 2_667 ?
C4 C3 C2 118.99(17) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 120.76(17) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 122.36(18) . . ?
C6 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
C5 C6 C1 118.00(16) . . ?
C5 C6 C7 118.22(17) . . ?
C1 C6 C7 123.77(15) . . ?
C5 C6 Li2 137.11(14) . . ?
C1 C6 Li2 75.96(12) . . ?
C7 C6 Li2 64.40(11) . . ?
C8 C7 C6 127.45(17) . . ?
C8 C7 Li2 60.44(12) . . ?
C6 C7 Li2 83.20(13) . . ?
C8 C7 H7 114.6 . . ?
C6 C7 H7 114.6 . . ?
Li2 C7 H7 114.6 . . ?
C7 C8 Si1 115.90(14) . . ?
C7 C8 Li1 132.76(17) . . ?
Si1 C8 Li1 104.80(12) . . ?
C7 C8 Li2 86.70(14) . . ?
Si1 C8 Li2 127.30(12) . . ?
Li1 C8 Li2 87.11(15) . . ?
C10 C9 C2 114.66(16) . . ?
C10 C9 Li2 73.42(13) . 2_667 ?
C2 C9 Li2 77.31(13) . 2_667 ?
C10 C9 H9 122.6 . . ?
C2 C9 H9 122.6 . . ?
Li2 C9 H9 122.6 2_667 . ?
C9 C10 P1 110.95(14) . . ?
C9 C10 Si2 123.76(14) . . ?
P1 C10 Si2 124.52(10) . . ?
C9 C10 Li2 72.40(13) . 2_667 ?
P1 C10 Li2 76.65(10) . 2_667 ?
Si2 C10 Li2 126.08(12) . 2_667 ?
C8 Si1 C12 111.67(9) . . ?
C8 Si1 C11 114.29(9) . . ?
C12 Si1 C11 108.84(10) . . ?
C8 Si1 C13 107.77(8) . . ?
C12 Si1 C13 107.52(9) . . ?
C11 Si1 C13 106.41(8) . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 116.96(17) . . ?
C18 C13 Si1 122.58(14) . . ?
C14 C13 Si1 120.33(14) . . ?
C15 C14 C13 121.70(17) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
C16 C15 C14 119.98(18) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 119.37(17) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C16 C17 C18 120.37(18) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C17 C18 C13 121.63(17) . . ?
C17 C18 H18 119.2 . . ?
C13 C18 H18 119.2 . . ?
C10 Si2 C21 110.76(9) . . ?
C10 Si2 C22 110.02(9) . . ?
C21 Si2 C22 110.47(10) . . ?
C10 Si2 C23 107.77(8) . . ?
C21 Si2 C23 109.45(9) . . ?
C22 Si2 C23 108.29(9) . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C24 117.15(17) . . ?
C28 C23 Si2 121.09(14) . . ?
C24 C23 Si2 121.76(15) . . ?
C25 C24 C23 121.58(19) . . ?
C25 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
C26 C25 C24 120.0(2) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 119.64(18) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C26 C27 C28 120.22(19) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C27 C28 C23 121.38(19) . . ?
C27 C28 H28 119.3 . . ?
C23 C28 H28 119.3 . . ?
O1 Li1 C8 138.4(2) . . ?
O1 Li1 P1 123.85(18) . . ?
C8 Li1 P1 88.18(13) . . ?
O1 Li1 Li2 121.89(19) . . ?
C8 Li1 Li2 47.36(11) . . ?
P1 Li1 Li2 60.94(10) . . ?
C8 Li2 C9 120.38(16) . 2_667 ?
C8 Li2 C10 125.76(17) . 2_667 ?
C9 Li2 C10 34.18(8) 2_667 2_667 ?
C8 Li2 C2 136.42(17) . 2_667 ?
C9 Li2 C2 34.28(8) 2_667 2_667 ?
C10 Li2 C2 58.59(10) 2_667 2_667 ?
C8 Li2 C7 32.86(8) . . ?
C9 Li2 C7 129.63(16) 2_667 . ?
C10 Li2 C7 112.83(15) 2_667 . ?
C2 Li2 C7 162.04(17) 2_667 . ?
C8 Li2 C1 165.13(18) . 2_667 ?
C9 Li2 C1 57.60(9) 2_667 2_667 ?
C10 Li2 C1 62.23(10) 2_667 2_667 ?
C2 Li2 C1 32.99(7) 2_667 2_667 ?
C7 Li2 C1 161.17(16) . 2_667 ?
C8 Li2 P1 154.50(18) . 2_667 ?
C9 Li2 P1 63.53(9) 2_667 2_667 ?
C10 Li2 P1 41.68(7) 2_667 2_667 ?
C2 Li2 P1 62.67(9) 2_667 2_667 ?
C7 Li2 P1 123.17(15) . 2_667 ?
C1 Li2 P1 40.20(6) 2_667 2_667 ?
C8 Li2 C6 61.00(10) . . ?
C9 Li2 C6 145.41(17) 2_667 . ?
C10 Li2 C6 113.55(15) 2_667 . ?
C2 Li2 C6 162.58(16) 2_667 . ?
C7 Li2 C6 32.41(7) . . ?
C1 Li2 C6 130.24(14) 2_667 . ?
P1 Li2 C6 100.79(12) 2_667 . ?
C8 Li2 C1 76.68(11) . . ?
C9 Li2 C1 159.39(16) 2_667 . ?
C10 Li2 C1 127.51(15) 2_667 . ?
C2 Li2 C1 139.95(15) 2_667 . ?
C7 Li2 C1 58.00(9) . . ?
C1 Li2 C1 109.10(13) 2_667 . ?
P1 Li2 C1 96.04(11) 2_667 . ?
C6 Li2 C1 29.92(6) . . ?
C8 Li2 P1 79.30(11) . . ?
C9 Li2 P1 149.03(16) 2_667 . ?
C10 Li2 P1 151.56(15) 2_667 . ?
C2 Li2 P1 114.82(14) 2_667 . ?
C7 Li2 P1 80.31(10) . . ?
C1 Li2 P1 96.93(12) 2_667 . ?
P1 Li2 P1 109.89(12) 2_667 . ?
C6 Li2 P1 63.70(8) . . ?
C1 Li2 P1 37.48(6) . . ?
C8 Li2 Li1 45.53(11) . . ?
C9 Li2 Li1 124.24(16) 2_667 . ?
C10 Li2 Li1 155.88(17) 2_667 . ?
C2 Li2 Li1 110.04(15) 2_667 . ?
C7 Li2 Li1 71.11(12) . . ?
C1 Li2 Li1 121.45(16) 2_667 . ?
P1 Li2 Li1 156.67(16) 2_667 . ?
C6 Li2 Li1 82.88(12) . . ?
C1 Li2 Li1 75.56(11) . . ?
P1 Li2 Li1 50.91(9) . . ?
C8 Li2 Li2 126.51(19) . 2_667 ?
C9 Li2 Li2 113.09(17) 2_667 2_667 ?
C10 Li2 Li2 99.08(16) 2_667 2_667 ?
C2 Li2 Li2 89.36(15) 2_667 2_667 ?
C7 Li2 Li2 108.11(17) . 2_667 ?
C1 Li2 Li2 57.57(11) 2_667 2_667 ?
P1 Li2 Li2 57.40(10) 2_667 2_667 ?
C6 Li2 Li2 76.17(13) . 2_667 ?
C1 Li2 Li2 51.52(10) . 2_667 ?
P1 Li2 Li2 52.49(10) . 2_667 ?
Li1 Li2 Li2 102.10(17) . 2_667 ?
C34 O1 C31 108.65(16) . . ?
C34 O1 Li1 131.29(18) . . ?
C31 O1 Li1 119.71(17) . . ?
O1 C31 C32 104.3(2) . . ?
O1 C31 H31A 110.9 . . ?
C32 C31 H31A 110.9 . . ?
O1 C31 H31B 110.9 . . ?
C32 C31 H31B 110.9 . . ?
H31A C31 H31B 108.9 . . ?
C31 C32 C33 100.5(2) . . ?
C31 C32 H32A 111.7 . . ?
C33 C32 H32A 111.7 . . ?
C31 C32 H32B 111.7 . . ?
C33 C32 H32B 111.7 . . ?
H32A C32 H32B 109.4 . . ?
C34 C33 C32 104.1(2) . . ?
C34 C33 H33A 110.9 . . ?
C32 C33 H33A 110.9 . . ?
C34 C33 H33B 110.9 . . ?
C32 C33 H33B 110.9 . . ?
H33A C33 H33B 109.0 . . ?
O1 C34 C33 105.9(2) . . ?
O1 C34 H34A 110.5 . . ?
C33 C34 H34A 110.5 . . ?
O1 C34 H34B 110.5 . . ?
C33 C34 H34B 110.5 . . ?
H34A C34 H34B 108.7 . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C47 118.2(3) . . ?
C43 C42 C41 120.9(3) . . ?
C47 C42 C41 121.0(3) . . ?
C42 C43 C44 120.7(2) . . ?
C42 C43 H43 119.7 . . ?
C44 C43 H43 119.7 . . ?
C45 C44 C43 119.9(2) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C45 C46 119.4(3) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 H45 120.3 . . ?
C45 C46 C47 120.0(2) . . ?
C45 C46 H46 120.0 . . ?
C47 C46 H46 120.0 . . ?
C46 C47 C42 121.8(3) . . ?
C46 C47 H47 119.1 . . ?
C42 C47 H47 119.1 . . ?

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
C10 P1 C1 C6 177.50(16) . . . . ?
Li1 P1 C1 C6 8.5(2) . . . . ?
Li2 P1 C1 C6 -123.84(18) 2_667 . . . ?
Li2 P1 C1 C6 -48.38(16) . . . . ?
C10 P1 C1 C2 0.25(13) . . . . ?
Li1 P1 C1 C2 -168.74(14) . . . . ?
Li2 P1 C1 C2 58.91(13) 2_667 . . . ?
Li2 P1 C1 C2 134.36(14) . . . . ?
C10 P1 C1 Li2 -58.66(10) . . . 2_667 ?
Li1 P1 C1 Li2 132.36(13) . . . 2_667 ?
Li2 P1 C1 Li2 75.46(12) . . . 2_667 ?
C10 P1 C1 Li2 -134.12(9) . . . . ?
Li1 P1 C1 Li2 56.90(12) . . . . ?
Li2 P1 C1 Li2 -75.46(12) 2_667 . . . ?
C6 C1 C2 C3 0.1(2) . . . . ?
P1 C1 C2 C3 177.66(13) . . . . ?
Li2 C1 C2 C3 -122.46(18) 2_667 . . . ?
Li2 C1 C2 C3 -98.0(2) . . . . ?
C6 C1 C2 C9 -177.63(15) . . . . ?
P1 C1 C2 C9 -0.02(18) . . . . ?
Li2 C1 C2 C9 59.86(15) 2_667 . . . ?
Li2 C1 C2 C9 84.4(2) . . . . ?
C6 C1 C2 Li2 122.51(17) . . . 2_667 ?
P1 C1 C2 Li2 -59.88(12) . . . 2_667 ?
Li2 C1 C2 Li2 24.5(2) . . . 2_667 ?
C9 C2 C3 C4 176.54(17) . . . . ?
C1 C2 C3 C4 -0.8(3) . . . . ?
Li2 C2 C3 C4 -96.3(2) 2_667 . . . ?
C2 C3 C4 C5 0.7(3) . . . . ?
C3 C4 C5 C6 0.2(3) . . . . ?
C4 C5 C6 C1 -1.0(3) . . . . ?
C4 C5 C6 C7 -179.45(17) . . . . ?
C4 C5 C6 Li2 98.8(2) . . . . ?
C2 C1 C6 C5 0.8(2) . . . . ?
P1 C1 C6 C5 -176.26(14) . . . . ?
Li2 C1 C6 C5 86.6(2) 2_667 . . . ?
Li2 C1 C6 C5 136.26(17) . . . . ?
C2 C1 C6 C7 179.21(15) . . . . ?
P1 C1 C6 C7 2.2(3) . . . . ?
Li2 C1 C6 C7 -95.0(2) 2_667 . . . ?
Li2 C1 C6 C7 -45.33(16) . . . . ?
C2 C1 C6 Li2 -135.46(16) . . . . ?
P1 C1 C6 Li2 47.49(15) . . . . ?
Li2 C1 C6 Li2 -49.63(19) 2_667 . . . ?
C5 C6 C7 C8 -175.85(17) . . . . ?
C1 C6 C7 C8 5.7(3) . . . . ?
Li2 C6 C7 C8 -44.17(18) . . . . ?
C5 C6 C7 Li2 -131.68(17) . . . . ?
C1 C6 C7 Li2 49.91(18) . . . . ?
C6 C7 C8 Si1 -177.00(14) . . . . ?
Li2 C7 C8 Si1 130.30(16) . . . . ?
C6 C7 C8 Li1 -30.3(3) . . . . ?
Li2 C7 C8 Li1 -83.0(2) . . . . ?
C6 C7 C8 Li2 52.7(2) . . . . ?
C3 C2 C9 C10 -177.83(17) . . . . ?
C1 C2 C9 C10 -0.3(2) . . . . ?
Li2 C2 C9 C10 64.84(16) 2_667 . . . ?
C3 C2 C9 Li2 117.3(2) . . . 2_667 ?
C1 C2 C9 Li2 -65.15(15) . . . 2_667 ?
C2 C9 C10 P1 0.50(19) . . . . ?
Li2 C9 C10 P1 67.61(12) 2_667 . . . ?
C2 C9 C10 Si2 170.81(12) . . . . ?
Li2 C9 C10 Si2 -122.07(16) 2_667 . . . ?
C2 C9 C10 Li2 -67.11(16) . . . 2_667 ?
C1 P1 C10 C9 -0.42(13) . . . . ?
Li1 P1 C10 C9 153.6(2) . . . . ?
Li2 P1 C10 C9 -64.93(14) 2_667 . . . ?
Li2 P1 C10 C9 -65.97(18) . . . . ?
C1 P1 C10 Si2 -170.65(11) . . . . ?
Li1 P1 C10 Si2 -16.6(3) . . . . ?
Li2 P1 C10 Si2 124.84(15) 2_667 . . . ?
Li2 P1 C10 Si2 123.81(13) . . . . ?
C1 P1 C10 Li2 64.51(11) . . . 2_667 ?
Li1 P1 C10 Li2 -141.4(3) . . . 2_667 ?
Li2 P1 C10 Li2 -1.0(2) . . . 2_667 ?
C7 C8 Si1 C12 -131.83(14) . . . . ?
Li1 C8 Si1 C12 72.80(15) . . . . ?
Li2 C8 Si1 C12 -25.00(19) . . . . ?
C7 C8 Si1 C11 -7.73(17) . . . . ?
Li1 C8 Si1 C11 -163.10(14) . . . . ?
Li2 C8 Si1 C11 99.10(17) . . . . ?
C7 C8 Si1 C13 110.30(14) . . . . ?
Li1 C8 Si1 C13 -45.07(15) . . . . ?
Li2 C8 Si1 C13 -142.86(16) . . . . ?
C8 Si1 C13 C18 144.75(16) . . . . ?
C12 Si1 C13 C18 24.24(19) . . . . ?
C11 Si1 C13 C18 -92.25(17) . . . . ?
C8 Si1 C13 C14 -39.45(17) . . . . ?
C12 Si1 C13 C14 -159.96(16) . . . . ?
C11 Si1 C13 C14 83.55(17) . . . . ?
C18 C13 C14 C15 1.0(3) . . . . ?
Si1 C13 C14 C15 -174.99(16) . . . . ?
C13 C14 C15 C16 -0.9(3) . . . . ?
C14 C15 C16 C17 0.2(3) . . . . ?
C15 C16 C17 C18 0.3(3) . . . . ?
C16 C17 C18 C13 -0.1(3) . . . . ?
C14 C13 C18 C17 -0.5(3) . . . . ?
Si1 C13 C18 C17 175.39(16) . . . . ?
C9 C10 Si2 C21 144.99(15) . . . . ?
P1 C10 Si2 C21 -46.00(14) . . . . ?
Li2 C10 Si2 C21 52.88(17) 2_667 . . . ?
C9 C10 Si2 C22 22.56(18) . . . . ?
P1 C10 Si2 C22 -168.43(11) . . . . ?
Li2 C10 Si2 C22 -69.55(16) 2_667 . . . ?
C9 C10 Si2 C23 -95.31(16) . . . . ?
P1 C10 Si2 C23 73.69(13) . . . . ?
Li2 C10 Si2 C23 172.57(14) 2_667 . . . ?
C10 Si2 C23 C28 14.07(18) . . . . ?
C21 Si2 C23 C28 134.59(16) . . . . ?
C22 Si2 C23 C28 -104.92(17) . . . . ?
C10 Si2 C23 C24 -165.59(16) . . . . ?
C21 Si2 C23 C24 -45.07(19) . . . . ?
C22 Si2 C23 C24 75.43(18) . . . . ?
C28 C23 C24 C25 -0.5(3) . . . . ?
Si2 C23 C24 C25 179.19(17) . . . . ?
C23 C24 C25 C26 -0.3(3) . . . . ?
C24 C25 C26 C27 1.1(3) . . . . ?
C25 C26 C27 C28 -1.0(3) . . . . ?
C26 C27 C28 C23 0.2(3) . . . . ?
C24 C23 C28 C27 0.5(3) . . . . ?
Si2 C23 C28 C27 -179.13(15) . . . . ?
C8 Li1 O1 C34 64.4(4) . . . . ?
P1 Li1 O1 C34 -161.4(2) . . . . ?
Li2 Li1 O1 C34 124.3(2) . . . . ?
C8 Li1 O1 C31 -108.0(3) . . . . ?
P1 Li1 O1 C31 26.2(3) . . . . ?
Li2 Li1 O1 C31 -48.0(3) . . . . ?
C34 O1 C31 C32 -27.6(2) . . . . ?
Li1 O1 C31 C32 146.3(2) . . . . ?
O1 C31 C32 C33 39.4(3) . . . . ?
C31 C32 C33 C34 -37.0(3) . . . . ?
C31 O1 C34 C33 3.6(3) . . . . ?
Li1 O1 C34 C33 -169.4(3) . . . . ?
C32 C33 C34 O1 21.4(3) . . . . ?
C47 C42 C43 C44 0.4(4) . . . . ?
C41 C42 C43 C44 179.8(3) . . . . ?
C42 C43 C44 C45 -1.0(4) . . . . ?
C43 C44 C45 C46 0.3(4) . . . . ?
C44 C45 C46 C47 1.0(4) . . . . ?
C45 C46 C47 C42 -1.6(4) . . . . ?
C43 C42 C47 C46 0.9(4) . . . . ?
C41 C42 C47 C46 -178.5(3) . . . . ?

_refine_diff_density_max         0.628
_refine_diff_density_min         -0.551
_refine_diff_density_rms         0.073



####################################################################### 
# 
# 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_sad_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2014283'
loop_
_audit_author_name
_audit_author_address
'Werner Uhl'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2020-07-06 deposited with the CCDC.	2021-01-18 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         ?
_chemical_formula_sum            'C37 H32 O5 P2 Si2 W'
_chemical_formula_weight         858.59

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'
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'
W W -0.8490 6.8722 '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/c'
_space_group_name_Hall           '-P 2ybc'

_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.6448(13)
_cell_length_b                   12.9069(16)
_cell_length_c                   26.220(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.664(4)
_cell_angle_gamma                90
_cell_volume                     3598.5(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9373
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      27.87

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_F_000             1704
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.260
_exptl_absorpt_coefficient_mu    3.407
_shelx_estimated_absorpt_T_min   0.358
_shelx_estimated_absorpt_T_max   0.471
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4328
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46224
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.215
_diffrn_reflns_theta_max         27.927
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8567
_reflns_number_gt                7625
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0186P)²+3.0197P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         8567
_refine_ls_number_parameters     428
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0253
_refine_ls_wR_factor_ref         0.0575
_refine_ls_wR_factor_gt          0.0554
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.002
_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
W1 W 0.22457(2) 0.81954(2) 0.49750(2) 0.01879(4) Uani 1 1 d . . . . .
C41 C 0.0600(2) 0.7622(2) 0.52294(10) 0.0232(6) Uani 1 1 d . . . . .
O1 O -0.02952(18) 0.72706(17) 0.53692(8) 0.0335(5) Uani 1 1 d . . . . .
C42 C 0.2727(2) 0.6725(2) 0.47835(10) 0.0218(5) Uani 1 1 d . . . . .
O2 O 0.29395(18) 0.59228(15) 0.46273(7) 0.0293(4) Uani 1 1 d . . . . .
C43 C 0.1506(3) 0.8273(3) 0.42685(11) 0.0352(8) Uani 1 1 d . . . . .
O3 O 0.1053(2) 0.8290(2) 0.38596(8) 0.0540(7) Uani 1 1 d . . . . .
C44 C 0.3977(3) 0.8707(2) 0.47647(10) 0.0255(6) Uani 1 1 d . . . . .
O4 O 0.4933(2) 0.89814(16) 0.46500(8) 0.0376(5) Uani 1 1 d . . . . .
C45 C 0.1700(3) 0.9707(2) 0.50538(10) 0.0268(6) Uani 1 1 d . . . . .
O5 O 0.1382(2) 1.05474(17) 0.50576(8) 0.0388(5) Uani 1 1 d . . . . .
P1 P 0.31277(6) 0.80853(5) 0.58860(2) 0.01440(12) Uani 1 1 d . . . . .
C1 C 0.4786(2) 0.79029(19) 0.59259(9) 0.0149(5) Uani 1 1 d . . . . .
C2 C 0.5379(2) 0.87853(19) 0.61256(9) 0.0173(5) Uani 1 1 d . . . . .
C3 C 0.6687(2) 0.8836(2) 0.61393(10) 0.0225(5) Uani 1 1 d . . . . .
H3 H 0.711823 0.943400 0.626609 0.027 Uiso 1 1 calc R U . . .
C4 C 0.7345(2) 0.7990(2) 0.59628(10) 0.0230(6) Uani 1 1 d . . . . .
H4 H 0.823407 0.803183 0.594857 0.028 Uiso 1 1 calc R U . . .
C5 C 0.6738(2) 0.7083(2) 0.58064(9) 0.0191(5) Uani 1 1 d . . . . .
H5 H 0.721806 0.650794 0.570083 0.023 Uiso 1 1 calc R U . . .
C6 C 0.5427(2) 0.70091(18) 0.58028(9) 0.0156(5) Uani 1 1 d . . . . .
C7 C 0.4743(2) 0.60213(19) 0.57487(9) 0.0168(5) Uani 1 1 d . . . . .
H7 H 0.514415 0.548823 0.556665 0.020 Uiso 1 1 calc R U . . .
C8 C 0.3611(2) 0.57881(18) 0.59287(9) 0.0163(5) Uani 1 1 d . . . . .
C9 C 0.4469(2) 0.95147(19) 0.63256(9) 0.0191(5) Uani 1 1 d . . . . .
H9 H 0.473109 1.014773 0.648169 0.023 Uiso 1 1 calc R U . . .
C10 C 0.3242(2) 0.92502(18) 0.62789(9) 0.0167(5) Uani 1 1 d . . . . .
Si1 Si 0.29052(7) 0.44480(5) 0.59009(3) 0.02030(15) Uani 1 1 d . . . . .
C11 C 0.4089(3) 0.3499(2) 0.56848(12) 0.0324(7) Uani 1 1 d . . . . .
H11A H 0.371131 0.280634 0.566567 0.039 Uiso 1 1 calc R U . . .
H11B H 0.481597 0.349064 0.592812 0.039 Uiso 1 1 calc R U . . .
H11C H 0.436144 0.369973 0.534686 0.039 Uiso 1 1 calc R U . . .
C12 C 0.1468(3) 0.4430(2) 0.54713(11) 0.0344(7) Uani 1 1 d . . . . .
H12A H 0.170692 0.448904 0.511590 0.041 Uiso 1 1 calc R U . . .
H12B H 0.092516 0.501333 0.555437 0.041 Uiso 1 1 calc R U . . .
H12C H 0.101487 0.377820 0.551675 0.041 Uiso 1 1 calc R U . . .
C13 C 0.2447(2) 0.41504(18) 0.65671(10) 0.0190(5) Uani 1 1 d . . . . .
C14 C 0.3366(2) 0.4009(2) 0.69580(10) 0.0238(6) Uani 1 1 d . . . . .
H14 H 0.422708 0.407297 0.688306 0.029 Uiso 1 1 calc R U . . .
C15 C 0.3054(3) 0.3778(2) 0.74529(11) 0.0311(6) Uani 1 1 d . . . . .
H15 H 0.369696 0.368060 0.771213 0.037 Uiso 1 1 calc R U . . .
C16 C 0.1804(3) 0.3691(2) 0.75672(11) 0.0311(7) Uani 1 1 d . . . . .
H16 H 0.158662 0.352954 0.790539 0.037 Uiso 1 1 calc R U . . .
C17 C 0.0874(3) 0.3839(2) 0.71921(11) 0.0290(6) Uani 1 1 d . . . . .
H17 H 0.001466 0.378477 0.727180 0.035 Uiso 1 1 calc R U . . .
C18 C 0.1194(2) 0.4067(2) 0.66950(10) 0.0231(5) Uani 1 1 d . . . . .
H18 H 0.054590 0.416754 0.643836 0.028 Uiso 1 1 calc R U . . .
Si2 Si 0.19396(6) 1.00447(5) 0.65333(3) 0.01728(14) Uani 1 1 d . . . . .
C21 C 0.2065(3) 1.1390(2) 0.62928(11) 0.0278(6) Uani 1 1 d . . . . .
H21A H 0.195461 1.139067 0.591965 0.033 Uiso 1 1 calc R U . . .
H21B H 0.289435 1.167131 0.639367 0.033 Uiso 1 1 calc R U . . .
H21C H 0.141069 1.181871 0.643804 0.033 Uiso 1 1 calc R U . . .
C22 C 0.0415(2) 0.9413(2) 0.63450(10) 0.0234(6) Uani 1 1 d . . . . .
H22A H -0.026939 0.976994 0.651006 0.028 Uiso 1 1 calc R U . . .
H22B H 0.043844 0.868527 0.645243 0.028 Uiso 1 1 calc R U . . .
H22C H 0.027415 0.944971 0.597342 0.028 Uiso 1 1 calc R U . . .
C23 C 0.2129(2) 1.00795(19) 0.72471(10) 0.0193(5) Uani 1 1 d . . . . .
C24 C 0.1506(3) 1.0843(2) 0.75175(11) 0.0290(6) Uani 1 1 d . . . . .
H24 H 0.103575 1.135873 0.733373 0.035 Uiso 1 1 calc R U . . .
C25 C 0.1556(3) 1.0867(2) 0.80433(12) 0.0375(7) Uani 1 1 d . . . . .
H25 H 0.113184 1.139981 0.821687 0.045 Uiso 1 1 calc R U . . .
C26 C 0.2224(3) 1.0116(2) 0.83202(11) 0.0337(7) Uani 1 1 d . . . . .
H26 H 0.224113 1.012103 0.868279 0.040 Uiso 1 1 calc R U . . .
C27 C 0.2862(3) 0.9361(2) 0.80652(11) 0.0300(6) Uani 1 1 d . . . . .
H27 H 0.333342 0.885231 0.825269 0.036 Uiso 1 1 calc R U . . .
C28 C 0.2818(2) 0.9343(2) 0.75353(10) 0.0247(6) Uani 1 1 d . . . . .
H28 H 0.326540 0.881927 0.736465 0.030 Uiso 1 1 calc R U . . .
P2 P 0.24979(6) 0.66499(5) 0.62470(2) 0.01568(13) Uani 1 1 d . . . . .
C31 C 0.3113(3) 0.66748(18) 0.69084(9) 0.0188(5) Uani 1 1 d . . . . .
C32 C 0.4377(3) 0.66659(19) 0.70681(10) 0.0228(6) Uani 1 1 d . . . . .
H32 H 0.500793 0.665509 0.682345 0.027 Uiso 1 1 calc R U . . .
C33 C 0.4717(3) 0.6673(2) 0.75871(11) 0.0303(6) Uani 1 1 d . . . . .
H33 H 0.558018 0.666945 0.769654 0.036 Uiso 1 1 calc R U . . .
C34 C 0.3801(4) 0.6684(2) 0.79433(11) 0.0363(8) Uani 1 1 d . . . . .
H34 H 0.403837 0.669711 0.829702 0.044 Uiso 1 1 calc R U . . .
C35 C 0.2549(4) 0.6677(2) 0.77898(11) 0.0389(8) Uani 1 1 d . . . . .
H35 H 0.192448 0.667588 0.803707 0.047 Uiso 1 1 calc R U . . .
C36 C 0.2198(3) 0.6673(2) 0.72732(11) 0.0287(6) Uani 1 1 d . . . . .
H36 H 0.133194 0.666805 0.716753 0.034 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
W1 C43 1.981(3) . ?
W1 C42 2.034(3) . ?
W1 C41 2.042(3) . ?
W1 C45 2.049(3) . ?
W1 C44 2.057(3) . ?
W1 P1 2.5294(7) . ?
C41 O1 1.131(3) . ?
C42 O2 1.140(3) . ?
C43 O3 1.155(4) . ?
C44 O4 1.132(3) . ?
C45 O5 1.137(3) . ?
P1 C1 1.779(2) . ?
P1 C10 1.823(2) . ?
P1 P2 2.1993(9) . ?
C1 C6 1.386(3) . ?
C1 C2 1.393(3) . ?
C2 C3 1.393(3) . ?
C2 C9 1.466(3) . ?
C3 C4 1.388(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.399(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.472(3) . ?
C7 C8 1.348(3) . ?
C7 H7 0.9500 . ?
C8 P2 1.852(2) . ?
C8 Si1 1.886(2) . ?
C9 C10 1.350(3) . ?
C9 H9 0.9500 . ?
C10 Si2 1.872(2) . ?
Si1 C12 1.857(3) . ?
Si1 C11 1.865(3) . ?
Si1 C13 1.875(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.394(3) . ?
C13 C14 1.395(4) . ?
C14 C15 1.387(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.382(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.376(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.394(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
Si2 C21 1.854(3) . ?
Si2 C22 1.862(3) . ?
Si2 C23 1.874(3) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.400(4) . ?
C23 C28 1.401(4) . ?
C24 C25 1.377(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.388(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.378(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(4) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
P2 C31 1.825(3) . ?
C31 C32 1.391(4) . ?
C31 C36 1.397(4) . ?
C32 C33 1.391(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.381(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.374(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.388(4) . ?
C35 H35 0.9500 . ?
C36 H36 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
C43 W1 C42 84.82(12) . . ?
C43 W1 C41 90.79(12) . . ?
C42 W1 C41 88.43(10) . . ?
C43 W1 C45 86.80(12) . . ?
C42 W1 C45 171.44(10) . . ?
C41 W1 C45 93.46(11) . . ?
C43 W1 C44 93.16(12) . . ?
C42 W1 C44 89.68(10) . . ?
C41 W1 C44 175.45(10) . . ?
C45 W1 C44 89.02(11) . . ?
C43 W1 P1 178.34(10) . . ?
C42 W1 P1 95.40(8) . . ?
C41 W1 P1 87.58(7) . . ?
C45 W1 P1 93.03(8) . . ?
C44 W1 P1 88.48(8) . . ?
O1 C41 W1 177.6(2) . . ?
O2 C42 W1 172.9(2) . . ?
O3 C43 W1 177.9(3) . . ?
O4 C44 W1 179.4(3) . . ?
O5 C45 W1 174.7(2) . . ?
C1 P1 C10 92.07(11) . . ?
C1 P1 P2 100.64(8) . . ?
C10 P1 P2 117.71(8) . . ?
C1 P1 W1 112.75(8) . . ?
C10 P1 W1 119.95(8) . . ?
P2 P1 W1 110.28(3) . . ?
C6 C1 C2 123.3(2) . . ?
C6 C1 P1 126.44(19) . . ?
C2 C1 P1 110.20(18) . . ?
C1 C2 C3 118.9(2) . . ?
C1 C2 C9 111.3(2) . . ?
C3 C2 C9 129.6(2) . . ?
C4 C3 C2 118.3(2) . . ?
C4 C3 H3 120.9 . . ?
C2 C3 H3 120.9 . . ?
C3 C4 C5 121.7(2) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C4 C5 C6 120.7(2) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 116.3(2) . . ?
C1 C6 C7 119.8(2) . . ?
C5 C6 C7 123.3(2) . . ?
C8 C7 C6 127.3(2) . . ?
C8 C7 H7 116.4 . . ?
C6 C7 H7 116.4 . . ?
C7 C8 P2 128.65(19) . . ?
C7 C8 Si1 123.51(18) . . ?
P2 C8 Si1 107.83(12) . . ?
C10 C9 C2 117.3(2) . . ?
C10 C9 H9 121.4 . . ?
C2 C9 H9 121.4 . . ?
C9 C10 P1 107.36(18) . . ?
C9 C10 Si2 123.95(19) . . ?
P1 C10 Si2 128.48(14) . . ?
C12 Si1 C11 110.88(15) . . ?
C12 Si1 C13 108.66(13) . . ?
C11 Si1 C13 110.94(12) . . ?
C12 Si1 C8 110.50(12) . . ?
C11 Si1 C8 109.93(12) . . ?
C13 Si1 C8 105.80(11) . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 117.3(2) . . ?
C18 C13 Si1 122.2(2) . . ?
C14 C13 Si1 120.46(19) . . ?
C15 C14 C13 121.7(3) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C17 C16 C15 120.1(3) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 119.9(3) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 121.3(3) . . ?
C17 C18 H18 119.4 . . ?
C13 C18 H18 119.4 . . ?
C21 Si2 C22 113.30(13) . . ?
C21 Si2 C10 109.02(12) . . ?
C22 Si2 C10 108.42(12) . . ?
C21 Si2 C23 108.13(12) . . ?
C22 Si2 C23 109.10(12) . . ?
C10 Si2 C23 108.79(11) . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C28 117.0(2) . . ?
C24 C23 Si2 119.4(2) . . ?
C28 C23 Si2 123.49(19) . . ?
C25 C24 C23 121.7(3) . . ?
C25 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C24 C25 C26 120.2(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C27 C26 C25 119.5(3) . . ?
C27 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C26 C27 C28 120.3(3) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C27 C28 C23 121.3(2) . . ?
C27 C28 H28 119.3 . . ?
C23 C28 H28 119.3 . . ?
C31 P2 C8 103.29(11) . . ?
C31 P2 P1 106.92(8) . . ?
C8 P2 P1 95.61(8) . . ?
C32 C31 C36 119.3(3) . . ?
C32 C31 P2 125.8(2) . . ?
C36 C31 P2 114.8(2) . . ?
C31 C32 C33 119.9(3) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C34 C33 C32 120.1(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C33 120.5(3) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 120.0(3) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.2(3) . . ?
C35 C36 H36 119.9 . . ?
C31 C36 H36 119.9 . . ?

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
C10 P1 C1 C6 164.9(2) . . . . ?
P2 P1 C1 C6 46.2(2) . . . . ?
W1 P1 C1 C6 -71.3(2) . . . . ?
C10 P1 C1 C2 -12.31(18) . . . . ?
P2 P1 C1 C2 -131.01(16) . . . . ?
W1 P1 C1 C2 111.53(16) . . . . ?
C6 C1 C2 C3 9.1(4) . . . . ?
P1 C1 C2 C3 -173.60(19) . . . . ?
C6 C1 C2 C9 -167.1(2) . . . . ?
P1 C1 C2 C9 10.1(3) . . . . ?
C1 C2 C3 C4 -1.4(4) . . . . ?
C9 C2 C3 C4 174.0(3) . . . . ?
C2 C3 C4 C5 -4.2(4) . . . . ?
C3 C4 C5 C6 2.6(4) . . . . ?
C2 C1 C6 C5 -10.5(4) . . . . ?
P1 C1 C6 C5 172.66(18) . . . . ?
C2 C1 C6 C7 160.9(2) . . . . ?
P1 C1 C6 C7 -15.9(3) . . . . ?
C4 C5 C6 C1 4.6(4) . . . . ?
C4 C5 C6 C7 -166.6(2) . . . . ?
C1 C6 C7 C8 -18.6(4) . . . . ?
C5 C6 C7 C8 152.2(3) . . . . ?
C6 C7 C8 P2 5.9(4) . . . . ?
C6 C7 C8 Si1 -172.85(19) . . . . ?
C1 C2 C9 C10 -1.4(3) . . . . ?
C3 C2 C9 C10 -177.2(3) . . . . ?
C2 C9 C10 P1 -7.6(3) . . . . ?
C2 C9 C10 Si2 177.30(18) . . . . ?
C1 P1 C10 C9 11.17(19) . . . . ?
P2 P1 C10 C9 114.34(17) . . . . ?
W1 P1 C10 C9 -106.69(17) . . . . ?
C1 P1 C10 Si2 -174.07(17) . . . . ?
P2 P1 C10 Si2 -70.90(18) . . . . ?
W1 P1 C10 Si2 68.07(18) . . . . ?
C7 C8 Si1 C12 -114.3(2) . . . . ?
P2 C8 Si1 C12 66.72(16) . . . . ?
C7 C8 Si1 C11 8.4(3) . . . . ?
P2 C8 Si1 C11 -170.57(14) . . . . ?
C7 C8 Si1 C13 128.3(2) . . . . ?
P2 C8 Si1 C13 -50.73(15) . . . . ?
C12 Si1 C13 C18 -7.0(2) . . . . ?
C11 Si1 C13 C18 -129.2(2) . . . . ?
C8 Si1 C13 C18 111.6(2) . . . . ?
C12 Si1 C13 C14 173.4(2) . . . . ?
C11 Si1 C13 C14 51.2(2) . . . . ?
C8 Si1 C13 C14 -68.0(2) . . . . ?
C18 C13 C14 C15 1.0(4) . . . . ?
Si1 C13 C14 C15 -179.3(2) . . . . ?
C13 C14 C15 C16 -0.5(4) . . . . ?
C14 C15 C16 C17 -0.3(4) . . . . ?
C15 C16 C17 C18 0.6(4) . . . . ?
C16 C17 C18 C13 0.0(4) . . . . ?
C14 C13 C18 C17 -0.8(4) . . . . ?
Si1 C13 C18 C17 179.6(2) . . . . ?
C9 C10 Si2 C21 53.0(3) . . . . ?
P1 C10 Si2 C21 -121.00(18) . . . . ?
C9 C10 Si2 C22 176.7(2) . . . . ?
P1 C10 Si2 C22 2.8(2) . . . . ?
C9 C10 Si2 C23 -64.7(2) . . . . ?
P1 C10 Si2 C23 121.30(17) . . . . ?
C21 Si2 C23 C24 43.8(2) . . . . ?
C22 Si2 C23 C24 -79.8(2) . . . . ?
C10 Si2 C23 C24 162.1(2) . . . . ?
C21 Si2 C23 C28 -139.6(2) . . . . ?
C22 Si2 C23 C28 96.8(2) . . . . ?
C10 Si2 C23 C28 -21.3(2) . . . . ?
C28 C23 C24 C25 -0.6(4) . . . . ?
Si2 C23 C24 C25 176.2(2) . . . . ?
C23 C24 C25 C26 -0.8(5) . . . . ?
C24 C25 C26 C27 1.6(5) . . . . ?
C25 C26 C27 C28 -1.1(5) . . . . ?
C26 C27 C28 C23 -0.2(4) . . . . ?
C24 C23 C28 C27 1.1(4) . . . . ?
Si2 C23 C28 C27 -175.6(2) . . . . ?
C7 C8 P2 C31 -82.3(2) . . . . ?
Si1 C8 P2 C31 96.64(13) . . . . ?
C7 C8 P2 P1 26.6(2) . . . . ?
Si1 C8 P2 P1 -154.47(10) . . . . ?
C8 P2 C31 C32 36.5(2) . . . . ?
P1 P2 C31 C32 -63.7(2) . . . . ?
C8 P2 C31 C36 -141.60(19) . . . . ?
P1 P2 C31 C36 118.22(18) . . . . ?
C36 C31 C32 C33 -1.1(4) . . . . ?
P2 C31 C32 C33 -179.1(2) . . . . ?
C31 C32 C33 C34 0.3(4) . . . . ?
C32 C33 C34 C35 0.7(4) . . . . ?
C33 C34 C35 C36 -0.9(5) . . . . ?
C34 C35 C36 C31 0.0(4) . . . . ?
C32 C31 C36 C35 1.0(4) . . . . ?
P2 C31 C36 C35 179.2(2) . . . . ?

_refine_diff_density_max         0.964
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.091



####################################################################### 
# 
# 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_sad_a_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2014281'
loop_
_audit_author_name
_audit_author_address
'Werner Uhl'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2020-07-06 deposited with the CCDC.	2021-01-18 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         ?
_chemical_formula_sum            'C32 H32 P2 Si2'
_chemical_formula_weight         534.69

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'
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/c'
_space_group_name_Hall           '-P 2ybc'

_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.2157(4)
_cell_length_b                   10.4934(3)
_cell_length_c                   22.6538(7)
_cell_angle_alpha                90
_cell_angle_beta                 99.262(2)
_cell_angle_gamma                90
_cell_volume                     2866.00(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9890
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      27.91

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_F_000             1128
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.360
_exptl_crystal_size_min          0.340
_exptl_absorpt_coefficient_mu    0.255
_shelx_estimated_absorpt_T_min   0.905
_shelx_estimated_absorpt_T_max   0.918
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6702
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41891
_diffrn_reflns_av_unetI/netI     0.0379
_diffrn_reflns_av_R_equivalents  0.0574
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.689
_diffrn_reflns_theta_max         27.944
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6863
_reflns_number_gt                6013
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0337P)²+3.0558P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_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         6863
_refine_ls_number_parameters     454
_refine_ls_number_restraints     456
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0499
_refine_ls_wR_factor_ref         0.1205
_refine_ls_wR_factor_gt          0.1167
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_restrained_S_all      1.074
_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
P1 P 0.63493(6) 0.45572(6) 0.59111(3) 0.01586(17) Uani 0.6794(14) 1 d D U P A 1
C1 C 0.5489(3) 0.4114(3) 0.64515(15) 0.0175(6) Uani 0.7152(15) 1 d D U P A 1
C6 C 0.4534(3) 0.4726(4) 0.65551(17) 0.0185(8) Uani 0.7152(15) 1 d D U P A 1
C7 C 0.4274(3) 0.6000(4) 0.63043(17) 0.0190(8) Uani 0.7152(15) 1 d D U P A 1
H7 H 0.352108 0.626127 0.626369 0.023 Uiso 0.7152(15) 1 calc R U P A 1
C8 C 0.4987(7) 0.6836(7) 0.6126(5) 0.0171(15) Uani 0.7152(15) 1 d D U P A 1
P2 P 0.65003(5) 0.65391(6) 0.62249(3) 0.01402(17) Uani 0.6794(14) 1 d D U P A 1
C31 C 0.6949(3) 0.7252(3) 0.55614(15) 0.0164(6) Uani 0.7152(15) 1 d D U P A 1
C32 C 0.7900(3) 0.8003(4) 0.56461(16) 0.0200(6) Uani 0.7152(15) 1 d D U P A 1
H32 H 0.827681 0.816873 0.604420 0.024 Uiso 0.7152(15) 1 calc R U P A 1
C33 C 0.8310(3) 0.8515(4) 0.5159(2) 0.0238(8) Uani 0.7152(15) 1 d D U P A 1
H33 H 0.897353 0.902126 0.522280 0.029 Uiso 0.7152(15) 1 calc R U P A 1
C34 C 0.7770(4) 0.8300(4) 0.45876(19) 0.0241(9) Uani 0.7152(15) 1 d D U P A 1
H34 H 0.805203 0.866264 0.425316 0.029 Uiso 0.7152(15) 1 calc R U P A 1
C35 C 0.6821(4) 0.7561(4) 0.44939(17) 0.0259(8) Uani 0.7152(15) 1 d D U P A 1
H35 H 0.644240 0.741422 0.409437 0.031 Uiso 0.7152(15) 1 calc R U P A 1
C36 C 0.6410(3) 0.7026(3) 0.4980(2) 0.0218(7) Uani 0.7152(15) 1 d D U P A 1
H36 H 0.575675 0.650303 0.491333 0.026 Uiso 0.7152(15) 1 calc R U P A 1
P1A P 0.68613(15) 0.50835(17) 0.64613(8) 0.0194(5) Uani 0.2621(14) 1 d D U P A
2
C1A C 0.5697(6) 0.4316(7) 0.6708(4) 0.0187(15) Uani 0.2848(15) 1 d D U P A 2
C6A C 0.4657(9) 0.4791(11) 0.6763(4) 0.020(2) Uani 0.2848(15) 1 d D U P A 2
C7A C 0.4398(10) 0.6091(11) 0.6519(4) 0.028(3) Uani 0.2848(15) 1 d D U P A 2
H7A H 0.385993 0.657825 0.668832 0.033 Uiso 0.2848(15) 1 calc R U P A 2
C8A C 0.4853(18) 0.6641(18) 0.6082(12) 0.021(4) Uani 0.2848(15) 1 d D U P A 2
P2A P 0.57740(15) 0.57187(18) 0.56498(9) 0.0189(5) Uani 0.2621(14) 1 d D U P A
2
C31A C 0.6663(7) 0.6886(8) 0.5349(5) 0.0195(16) Uani 0.2848(15) 1 d D U P A 2
C32A C 0.6560(8) 0.6970(11) 0.4735(5) 0.031(2) Uani 0.2848(15) 1 d D U P A 2
H32A H 0.600583 0.647253 0.448790 0.037 Uiso 0.2848(15) 1 calc R U P A 2
C33A C 0.7253(10) 0.7772(13) 0.4468(5) 0.037(3) Uani 0.2848(15) 1 d D U P A 2
H33A H 0.719500 0.779529 0.404027 0.044 Uiso 0.2848(15) 1 calc R U P A 2
C34A C 0.8011(10) 0.8519(11) 0.4815(6) 0.030(3) Uani 0.2848(15) 1 d D U P A 2
H34A H 0.844561 0.912024 0.463211 0.036 Uiso 0.2848(15) 1 calc R U P A 2
C35A C 0.8151(8) 0.8411(9) 0.5417(6) 0.027(2) Uani 0.2848(15) 1 d D U P A 2
H35A H 0.872592 0.889029 0.565736 0.032 Uiso 0.2848(15) 1 calc R U P A 2
C36A C 0.7480(9) 0.7623(9) 0.5691(4) 0.0236(18) Uani 0.2848(15) 1 d D U P A 2
H36A H 0.757630 0.758167 0.611986 0.028 Uiso 0.2848(15) 1 calc R U P A 2
C2 C 0.59201(17) 0.30274(19) 0.67815(10) 0.0254(4) Uani 1 1 d . . . . .
C3 C 0.52545(19) 0.2402(2) 0.71360(10) 0.0303(5) Uani 1 1 d . . . . .
H3 H 0.548265 0.161160 0.732064 0.036 Uiso 1 1 calc R U . . .
C4 C 0.42586(19) 0.2948(2) 0.72146(10) 0.0300(5) Uani 1 1 d . . . . .
H4 H 0.379544 0.251402 0.744778 0.036 Uiso 1 1 calc R U . . .
C5 C 0.39207(17) 0.4111(2) 0.69619(9) 0.0264(4) Uani 1 1 d . . . . .
H5 H 0.327350 0.450649 0.705937 0.032 Uiso 1 1 calc R U . A 1
C9 C 0.69984(17) 0.26937(19) 0.66397(10) 0.0260(4) Uani 1 1 d . . . . .
H9 H 0.736599 0.193159 0.678555 0.031 Uiso 1 1 calc R U . . .
C10 C 0.74612(17) 0.35197(19) 0.62886(10) 0.0277(4) Uani 1 1 d . . . . .
Si1 Si 0.44370(4) 0.84499(5) 0.59110(2) 0.02234(13) Uani 1 1 d . . . . .
C11 C 0.40581(18) 0.8635(2) 0.50878(9) 0.0303(5) Uani 1 1 d . . . . .
H11A H 0.364086 0.942855 0.499858 0.036 Uiso 1 1 calc R U . . .
H11B H 0.359964 0.791187 0.492427 0.036 Uiso 1 1 calc R U . . .
H11C H 0.473391 0.866320 0.490647 0.036 Uiso 1 1 calc R U . . .
C12 C 0.55207(17) 0.9617(2) 0.62321(9) 0.0263(4) Uani 1 1 d . . . . .
H12A H 0.617151 0.952456 0.603295 0.032 Uiso 1 1 calc R U . . .
H12B H 0.573440 0.945617 0.666129 0.032 Uiso 1 1 calc R U . . .
H12C H 0.522609 1.048397 0.617086 0.032 Uiso 1 1 calc R U . . .
C13 C 0.31533(17) 0.8737(2) 0.62538(10) 0.0265(4) Uani 1 1 d . . . . .
C14 C 0.21287(19) 0.8262(2) 0.59884(12) 0.0381(6) Uani 1 1 d . . . . .
H14 H 0.207146 0.779706 0.562495 0.046 Uiso 1 1 calc R U . . .
C15 C 0.1182(2) 0.8462(3) 0.62502(15) 0.0505(8) Uani 1 1 d . . . . .
H15 H 0.048968 0.812474 0.606508 0.061 Uiso 1 1 calc R U . . .
C16 C 0.1245(2) 0.9140(3) 0.67720(15) 0.0533(8) Uani 1 1 d . . . . .
H16 H 0.059848 0.926864 0.694828 0.064 Uiso 1 1 calc R U . . .
C17 C 0.2240(2) 0.9629(3) 0.70377(13) 0.0474(7) Uani 1 1 d . . . . .
H17 H 0.228308 1.010673 0.739694 0.057 Uiso 1 1 calc R U . . .
C18 C 0.3190(2) 0.9430(2) 0.67832(11) 0.0332(5) Uani 1 1 d . . . . .
H18 H 0.387684 0.977149 0.697352 0.040 Uiso 1 1 calc R U . . .
Si2 Si 0.88357(5) 0.33254(5) 0.60388(3) 0.02518(14) Uani 1 1 d . . . . .
C21 C 0.8852(2) 0.4342(2) 0.53731(12) 0.0421(6) Uani 1 1 d . . . . .
H21A H 0.953019 0.417722 0.520610 0.050 Uiso 1 1 calc R U . . .
H21B H 0.883063 0.524089 0.548842 0.050 Uiso 1 1 calc R U . . .
H21C H 0.820356 0.414722 0.507202 0.050 Uiso 1 1 calc R U . . .
C22 C 0.90332(18) 0.1621(2) 0.58591(11) 0.0295(4) Uani 1 1 d . . . . .
H22A H 0.846042 0.136221 0.552688 0.035 Uiso 1 1 calc R U . . .
H22B H 0.897625 0.109699 0.621086 0.035 Uiso 1 1 calc R U . . .
H22C H 0.976722 0.150593 0.574476 0.035 Uiso 1 1 calc R U . . .
C23 C 0.99433(16) 0.38173(19) 0.66701(10) 0.0258(4) Uani 1 1 d . . . . .
C24 C 1.05650(17) 0.2913(2) 0.70324(10) 0.0270(4) Uani 1 1 d . . . . .
H24 H 1.045166 0.203460 0.694191 0.032 Uiso 1 1 calc R U . . .
C25 C 1.13404(17) 0.3262(2) 0.75188(10) 0.0301(5) Uani 1 1 d . . . . .
H25 H 1.174396 0.262642 0.776161 0.036 Uiso 1 1 calc R U . . .
C26 C 1.15279(18) 0.4542(2) 0.76515(11) 0.0328(5) Uani 1 1 d . . . . .
H26 H 1.205747 0.478614 0.798656 0.039 Uiso 1 1 calc R U . . .
C27 C 1.09422(19) 0.5457(2) 0.72948(12) 0.0361(5) Uani 1 1 d . . . . .
H27 H 1.107930 0.633478 0.738017 0.043 Uiso 1 1 calc R U . . .
C28 C 1.01559(19) 0.5103(2) 0.68134(11) 0.0332(5) Uani 1 1 d . . . . .
H28 H 0.975159 0.574406 0.657482 0.040 Uiso 1 1 calc R U . . .
P1B P 0.6083(12) 0.5928(14) 0.6418(6) 0.021(3) Uiso 0.03576(7) 1 d . . P . .
P2B P 0.6536(12) 0.4880(14) 0.5651(7) 0.020(3) Uiso 0.03576(7) 1 d . . P A .
P1C P 0.5501(19) 0.535(2) 0.5900(10) 0.018(4) Uiso 0.02279(12) 1 d . . P A .
P2C P 0.7239(16) 0.5662(18) 0.6227(8) 0.012(3) Uiso 0.02279(12) 1 d . . P A .


_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
P1 P2B 0.746(18) . ?
P1 P1C 1.32(2) . ?
P1 P2C 1.669(19) . ?
P1 C1 1.798(3) . ?
P1 C10 1.841(2) . ?
P1 P1B 1.901(14) . ?
P1 P2 2.1959(9) . ?
C1 C6 1.385(5) . ?
C1 C2 1.418(4) . ?
C1 P1C 1.80(3) . ?
C1 P1B 2.043(15) . ?
C6 C5 1.432(4) . ?
C6 C7 1.467(5) . ?
C6 P1C 2.14(3) . ?
C6 P1B 2.336(15) . ?
C7 C8 1.343(7) . ?
C7 P1C 2.00(2) . ?
C7 P1B 2.185(15) . ?
C7 H7 0.9500 . ?
C8 P1B 1.690(16) . ?
C8 P1C 1.79(2) . ?
C8 P2 1.853(8) . ?
C8 Si1 1.858(6) . ?
P2 P1B 0.967(15) . ?
P2 P2C 1.289(19) . ?
P2 P1C 1.82(2) . ?
P2 C31 1.840(3) . ?
P2 P2B 2.177(14) . ?
C31 C32 1.391(5) . ?
C31 C36 1.395(5) . ?
C31 P2C 2.239(19) . ?
C32 C33 1.391(5) . ?
C32 H32 0.9600 . ?
C33 C34 1.374(5) . ?
C33 H33 0.9600 . ?
C34 C35 1.383(5) . ?
C34 H34 0.9600 . ?
C35 C36 1.399(5) . ?
C35 H35 0.9600 . ?
C36 H36 0.9600 . ?
P1A P2C 0.971(19) . ?
P1A P1B 1.292(14) . ?
P1A C1A 1.800(7) . ?
P1A P2B 1.826(16) . ?
P1A C10 1.864(3) . ?
P1A P1C 1.94(2) . ?
P1A P2A 2.191(3) . ?
C1A C2 1.384(8) . ?
C1A C6A 1.389(11) . ?
C1A P1B 1.902(17) . ?
C1A P1C 2.11(3) . ?
C6A C5 1.285(12) . ?
C6A C7A 1.487(12) . ?
C6A P1B 2.347(19) . ?
C7A C8A 1.341(14) . ?
C7A P1B 2.115(19) . ?
C7A P1C 2.24(3) . ?
C7A H7A 0.9600 . ?
C8A P1C 1.66(3) . ?
C8A P1B 1.74(3) . ?
C8A P2A 1.875(15) . ?
C8A Si1 1.987(15) . ?
P2A P1C 0.80(3) . ?
P2A P2B 1.281(14) . ?
P2A P1B 1.735(14) . ?
P2A C31A 1.839(8) . ?
P2A P2C 2.040(19) . ?
C31A C32A 1.380(10) . ?
C31A C36A 1.395(11) . ?
C31A P2B 2.226(18) . ?
C32A C33A 1.399(11) . ?
C32A H32A 0.9600 . ?
C33A C34A 1.362(13) . ?
C33A H33A 0.9600 . ?
C34A C35A 1.351(12) . ?
C34A H34A 0.9600 . ?
C35A C36A 1.381(11) . ?
C35A H35A 0.9600 . ?
C36A H36A 0.9600 . ?
C2 C3 1.395(3) . ?
C2 C9 1.448(3) . ?
C3 C4 1.382(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C9 C10 1.360(3) . ?
C9 H9 0.9500 . ?
C10 Si2 1.867(2) . ?
C10 P2B 2.207(16) . ?
C10 P2C 2.266(19) . ?
Si1 C11 1.858(2) . ?
Si1 C12 1.863(2) . ?
Si1 C13 1.883(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.391(3) . ?
C13 C18 1.397(3) . ?
C14 C15 1.397(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.371(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.367(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
Si2 C21 1.850(3) . ?
Si2 C22 1.858(2) . ?
Si2 C23 1.876(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.396(3) . ?
C23 C28 1.402(3) . ?
C24 C25 1.382(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.387(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.379(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.383(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
P1B P1C 1.41(3) . ?
P1B P2C 1.57(2) . ?
P2B P1C 1.55(3) . ?
P2B P2C 1.66(2) . ?

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
P2B P1 P1C 92.2(16) . . ?
P2B P1 P2C 76.2(13) . . ?
P1C P1 P2C 91.5(12) . . ?
P2B P1 C1 160.3(11) . . ?
P1C P1 C1 68.5(11) . . ?
P2C P1 C1 107.4(7) . . ?
P2B P1 C10 109.8(11) . . ?
P1C P1 C10 153.6(10) . . ?
P2C P1 C10 80.3(7) . . ?
C1 P1 C10 89.95(13) . . ?
P2B P1 P1B 103.7(12) . . ?
P1C P1 P1B 47.8(10) . . ?
P2C P1 P1B 51.6(8) . . ?
C1 P1 P1B 67.0(5) . . ?
C10 P1 P1B 110.6(4) . . ?
P2B P1 P2 78.8(11) . . ?
P1C P1 P2 55.8(10) . . ?
P2C P1 P2 35.8(6) . . ?
C1 P1 P2 93.00(10) . . ?
C10 P1 P2 113.11(8) . . ?
P1B P1 P2 26.0(4) . . ?
C6 C1 C2 122.4(3) . . ?
C6 C1 P1 126.6(3) . . ?
C2 C1 P1 111.04(19) . . ?
C6 C1 P1C 83.4(7) . . ?
C2 C1 P1C 154.2(8) . . ?
P1 C1 P1C 43.2(7) . . ?
C6 C1 P1B 83.6(5) . . ?
C2 C1 P1B 131.7(5) . . ?
P1 C1 P1B 58.9(4) . . ?
P1C C1 P1B 42.5(8) . . ?
C1 C6 C5 116.3(3) . . ?
C1 C6 C7 119.5(3) . . ?
C5 C6 C7 123.9(3) . . ?
C1 C6 P1C 56.6(6) . . ?
C5 C6 P1C 170.9(7) . . ?
C7 C6 P1C 64.1(6) . . ?
C1 C6 P1B 60.3(4) . . ?
C5 C6 P1B 148.0(4) . . ?
C7 C6 P1B 65.6(4) . . ?
P1C C6 P1B 36.4(7) . . ?
C8 C7 C6 127.0(4) . . ?
C8 C7 P1C 61.0(7) . . ?
C6 C7 P1C 74.6(7) . . ?
C8 C7 P1B 50.6(5) . . ?
C6 C7 P1B 76.8(4) . . ?
P1C C7 P1B 39.1(7) . . ?
C8 C7 H7 116.5 . . ?
C6 C7 H7 116.5 . . ?
P1C C7 H7 147.2 . . ?
P1B C7 H7 165.2 . . ?
C7 C8 P1B 91.4(6) . . ?
C7 C8 P1C 77.9(9) . . ?
P1B C8 P1C 47.7(9) . . ?
C7 C8 P2 122.4(4) . . ?
P1B C8 P2 31.2(5) . . ?
P1C C8 P2 59.9(7) . . ?
C7 C8 Si1 116.7(4) . . ?
P1B C8 Si1 147.9(8) . . ?
P1C C8 Si1 148.2(10) . . ?
P2 C8 Si1 119.8(4) . . ?
P1B P2 P2C 86.8(12) . . ?
P1B P2 P1C 50.1(12) . . ?
P2C P2 P1C 86.2(11) . . ?
P1B P2 C31 152.7(8) . . ?
P2C P2 C31 89.6(9) . . ?
P1C P2 C31 102.6(8) . . ?
P1B P2 C8 65.0(9) . . ?
P2C P2 C8 143.6(9) . . ?
P1C P2 C8 58.3(7) . . ?
C31 P2 C8 104.8(2) . . ?
P1B P2 P2B 78.6(10) . . ?
P2C P2 P2B 49.4(9) . . ?
P1C P2 P2B 44.4(8) . . ?
C31 P2 P2B 78.5(5) . . ?
C8 P2 P2B 100.2(5) . . ?
P1B P2 P1 59.7(8) . . ?
P2C P2 P1 49.2(9) . . ?
P1C P2 P1 37.0(7) . . ?
C31 P2 P1 98.13(12) . . ?
C8 P2 P1 95.2(3) . . ?
P2B P2 P1 19.6(5) . . ?
C32 C31 C36 118.9(3) . . ?
C32 C31 P2 118.0(3) . . ?
C36 C31 P2 123.0(3) . . ?
C32 C31 P2C 106.9(6) . . ?
C36 C31 P2C 120.5(6) . . ?
P2 C31 P2C 35.1(5) . . ?
C31 C32 C33 120.6(3) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C34 C33 C32 120.3(4) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 120.0(4) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 C36 120.2(4) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C31 C36 C35 120.0(3) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
P2C P1A P1B 86.5(13) . . ?
P2C P1A C1A 156.7(12) . . ?
P1B P1A C1A 73.9(7) . . ?
P2C P1A P2B 64.4(12) . . ?
P1B P1A P2B 88.1(8) . . ?
C1A P1A P2B 101.8(6) . . ?
P2C P1A C10 101.4(11) . . ?
P1B P1A C10 153.8(7) . . ?
C1A P1A C10 91.6(3) . . ?
P2B P1A C10 73.5(5) . . ?
P2C P1A P1C 89.1(14) . . ?
P1B P1A P1C 46.5(9) . . ?
C1A P1A P1C 68.4(8) . . ?
P2B P1A P1C 48.3(8) . . ?
C10 P1A P1C 108.2(6) . . ?
P2C P1A P2A 68.1(11) . . ?
P1B P1A P2A 52.3(6) . . ?
C1A P1A P2A 89.7(3) . . ?
P2B P1A P2A 35.7(4) . . ?
C10 P1A P2A 107.30(12) . . ?
P1C P1A P2A 21.3(8) . . ?
C2 C1A C6A 120.4(7) . . ?
C2 C1A P1A 108.9(5) . . ?
C6A C1A P1A 130.3(7) . . ?
C2 C1A P1B 148.8(7) . . ?
C6A C1A P1B 89.6(8) . . ?
P1A C1A P1B 40.7(5) . . ?
C2 C1A P1C 126.8(8) . . ?
C6A C1A P1C 85.1(8) . . ?
P1A C1A P1C 59.0(7) . . ?
P1B C1A P1C 40.8(7) . . ?
C5 C6A C1A 122.2(9) . . ?
C5 C6A C7A 121.4(9) . . ?
C1A C6A C7A 116.1(9) . . ?
C5 C6A P1B 176.3(8) . . ?
C1A C6A P1B 54.1(6) . . ?
C7A C6A P1B 62.3(7) . . ?
C8A C7A C6A 125.5(10) . . ?
C8A C7A P1B 55.2(11) . . ?
C6A C7A P1B 79.2(8) . . ?
C8A C7A P1C 47.5(10) . . ?
C6A C7A P1C 78.4(8) . . ?
P1B C7A P1C 37.7(7) . . ?
C8A C7A H7A 117.3 . . ?
C6A C7A H7A 117.3 . . ?
P1B C7A H7A 145.8 . . ?
P1C C7A H7A 163.2 . . ?
C7A C8A P1C 95.9(13) . . ?
C7A C8A P1B 85.6(13) . . ?
P1C C8A P1B 48.9(10) . . ?
C7A C8A P2A 121.2(11) . . ?
P1C C8A P2A 25.3(9) . . ?
P1B C8A P2A 57.2(6) . . ?
C7A C8A Si1 115.6(10) . . ?
P1C C8A Si1 148.4(13) . . ?
P1B C8A Si1 132.1(17) . . ?
P2A C8A Si1 123.2(8) . . ?
P1C P2A P2B 92.8(17) . . ?
P1C P2A P1B 53.2(16) . . ?
P2B P2A P1B 92.5(9) . . ?
P1C P2A C31A 157.1(16) . . ?
P2B P2A C31A 89.2(8) . . ?
P1B P2A C31A 104.0(6) . . ?
P1C P2A C8A 61.9(16) . . ?
P2B P2A C8A 148.2(10) . . ?
P1B P2A C8A 57.5(10) . . ?
C31A P2A C8A 106.8(6) . . ?
P1C P2A P2C 87.4(16) . . ?
P2B P2A P2C 54.2(8) . . ?
P1B P2A P2C 48.2(7) . . ?
C31A P2A P2C 75.4(6) . . ?
C8A P2A P2C 102.7(11) . . ?
P1C P2A P1A 61.6(15) . . ?
P2B P2A P1A 56.4(7) . . ?
P1B P2A P1A 36.1(5) . . ?
C31A P2A P1A 101.5(3) . . ?
C8A P2A P1A 93.0(8) . . ?
P2C P2A P1A 26.2(5) . . ?
C32A C31A C36A 117.8(8) . . ?
C32A C31A P2A 116.9(8) . . ?
C36A C31A P2A 125.2(8) . . ?
C32A C31A P2B 111.8(8) . . ?
C36A C31A P2B 115.6(8) . . ?
P2A C31A P2B 35.1(4) . . ?
C31A C32A C33A 120.8(10) . . ?
C31A C32A H32A 119.6 . . ?
C33A C32A H32A 119.6 . . ?
C34A C33A C32A 120.0(10) . . ?
C34A C33A H33A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C35A C34A C33A 119.8(9) . . ?
C35A C34A H34A 120.1 . . ?
C33A C34A H34A 120.1 . . ?
C34A C35A C36A 121.2(9) . . ?
C34A C35A H35A 119.4 . . ?
C36A C35A H35A 119.4 . . ?
C35A C36A C31A 120.3(8) . . ?
C35A C36A H36A 119.8 . . ?
C31A C36A H36A 119.8 . . ?
C1A C2 C3 114.0(3) . . ?
C3 C2 C1 118.7(2) . . ?
C1A C2 C9 112.2(3) . . ?
C3 C2 C9 130.46(19) . . ?
C1 C2 C9 110.6(2) . . ?
C4 C3 C2 119.05(19) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 121.53(19) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 H4 119.2 . . ?
C6A C5 C4 117.2(5) . . ?
C4 C5 C6 120.8(2) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C10 C9 C2 117.02(18) . . ?
C10 C9 H9 121.5 . . ?
C2 C9 H9 121.5 . . ?
C9 C10 P1 107.68(15) . . ?
C9 C10 P1A 102.94(16) . . ?
C9 C10 Si2 125.91(15) . . ?
P1 C10 Si2 123.79(13) . . ?
P1A C10 Si2 124.25(13) . . ?
C9 C10 P2B 125.3(5) . . ?
P1 C10 P2B 18.5(4) . . ?
P1A C10 P2B 52.5(4) . . ?
Si2 C10 P2B 105.2(5) . . ?
C9 C10 P2C 127.7(5) . . ?
P1 C10 P2C 46.5(5) . . ?
P1A C10 P2C 24.8(5) . . ?
Si2 C10 P2C 101.2(5) . . ?
P2B C10 P2C 43.5(6) . . ?
C11 Si1 C8 112.3(3) . . ?
C11 Si1 C12 111.70(10) . . ?
C8 Si1 C12 107.0(4) . . ?
C11 Si1 C13 107.92(10) . . ?
C8 Si1 C13 109.13(16) . . ?
C12 Si1 C13 108.68(10) . . ?
C11 Si1 C8A 108.1(8) . . ?
C12 Si1 C8A 114.1(9) . . ?
C13 Si1 C8A 106.0(4) . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 117.4(2) . . ?
C14 C13 Si1 121.05(18) . . ?
C18 C13 Si1 121.59(17) . . ?
C13 C14 C15 120.8(3) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
C16 C15 C14 120.6(3) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C17 C16 C15 119.8(2) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.2(3) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C13 121.3(3) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
C21 Si2 C22 110.95(12) . . ?
C21 Si2 C10 108.19(11) . . ?
C22 Si2 C10 109.04(10) . . ?
C21 Si2 C23 111.21(11) . . ?
C22 Si2 C23 109.19(10) . . ?
C10 Si2 C23 108.19(9) . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C28 117.0(2) . . ?
C24 C23 Si2 121.23(15) . . ?
C28 C23 Si2 121.68(17) . . ?
C25 C24 C23 121.8(2) . . ?
C25 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C24 C25 C26 119.8(2) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C27 C26 C25 119.7(2) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C28 120.2(2) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C27 C28 C23 121.4(2) . . ?
C27 C28 H28 119.3 . . ?
C23 C28 H28 119.3 . . ?
P2 P1B P1C 98.1(15) . . ?
P1A P1B P1C 91.9(12) . . ?
P2 P1B P2C 55.2(10) . . ?
P1A P1B P2C 38.2(8) . . ?
P1C P1B P2C 92.8(14) . . ?
P2 P1B C8 83.7(10) . . ?
P1C P1B C8 69.8(11) . . ?
P2C P1B C8 133.2(12) . . ?
P1A P1B P2A 91.6(8) . . ?
P1C P1B P2A 27.2(11) . . ?
P2C P1B P2A 76.1(9) . . ?
P1A P1B C8A 154.2(14) . . ?
P1C P1B C8A 62.4(14) . . ?
P2C P1B C8A 135.1(13) . . ?
P2A P1B C8A 65.3(10) . . ?
P2 P1B P1 94.2(10) . . ?
P1C P1B P1 44.1(10) . . ?
P2C P1B P1 56.5(8) . . ?
C8 P1B P1 113.0(8) . . ?
P1A P1B C1A 65.4(7) . . ?
P1C P1B C1A 77.5(12) . . ?
P2C P1B C1A 102.8(10) . . ?
P2A P1B C1A 102.0(8) . . ?
C8A P1B C1A 106.8(10) . . ?
P2 P1B C1 148.3(12) . . ?
P1C P1B C1 59.5(12) . . ?
P2C P1B C1 100.7(10) . . ?
C8 P1B C1 106.0(8) . . ?
P1 P1B C1 54.1(4) . . ?
P1A P1B C7A 139.9(11) . . ?
P1C P1B C7A 75.8(12) . . ?
P2C P1B C7A 168.6(12) . . ?
P2A P1B C7A 93.4(7) . . ?
C8A P1B C7A 39.2(5) . . ?
C1A P1B C7A 74.6(6) . . ?
P2 P1B C7 121.3(11) . . ?
P1C P1B C7 63.3(11) . . ?
P2C P1B C7 155.8(11) . . ?
C8 P1B C7 37.9(4) . . ?
P1 P1B C7 102.9(6) . . ?
C1 P1B C7 71.2(5) . . ?
P1 P2B P1C 58.9(13) . . ?
P2A P2B P1C 31.3(10) . . ?
P1 P2B P2C 77.9(13) . . ?
P2A P2B P2C 86.9(10) . . ?
P1C P2B P2C 84.6(13) . . ?
P2A P2B P1A 87.9(8) . . ?
P1C P2B P1A 69.8(10) . . ?
P2C P2B P1A 31.9(7) . . ?
P1 P2B P2 81.6(11) . . ?
P1C P2B P2 55.4(9) . . ?
P2C P2B P2 36.2(7) . . ?
P1 P2B P1B 57.1(10) . . ?
P2A P2B P1B 52.0(7) . . ?
P1C P2B P1B 39.5(9) . . ?
P2C P2B P1B 45.3(8) . . ?
P1A P2B P1B 35.9(5) . . ?
P2 P2B P1B 25.5(4) . . ?
P1 P2B C10 51.7(9) . . ?
P2A P2B C10 137.9(12) . . ?
P1C P2B C10 109.3(13) . . ?
P2C P2B C10 70.1(9) . . ?
P1A P2B C10 54.1(4) . . ?
P2 P2B C10 100.6(6) . . ?
P1B P2B C10 88.5(7) . . ?
P2A P2B C31A 55.7(6) . . ?
P1C P2B C31A 85.0(11) . . ?
P2C P2B C31A 73.8(9) . . ?
P1A P2B C31A 100.6(7) . . ?
P1B P2B C31A 79.0(7) . . ?
C10 P2B C31A 139.4(7) . . ?
P2A P1C P1B 100(2) . . ?
P1 P1C P1B 88.1(14) . . ?
P2A P1C P2B 55.9(15) . . ?
P1 P1C P2B 28.8(8) . . ?
P1B P1C P2B 96.2(15) . . ?
P2A P1C C8A 92.7(19) . . ?
P1B P1C C8A 68.7(15) . . ?
P2B P1C C8A 143.4(19) . . ?
P1 P1C C8 148.3(16) . . ?
P1B P1C C8 62.5(11) . . ?
P2B P1C C8 136.7(17) . . ?
P1 P1C C1 68.3(10) . . ?
P1B P1C C1 78.0(13) . . ?
P2B P1C C1 97.1(13) . . ?
C8 P1C C1 112.8(13) . . ?
P1 P1C P2 87.2(12) . . ?
P1B P1C P2 31.8(8) . . ?
P2B P1C P2 80.2(12) . . ?
C8 P1C P2 61.8(8) . . ?
C1 P1C P2 107.1(11) . . ?
P2A P1C P1A 97.0(18) . . ?
P1B P1C P1A 41.6(8) . . ?
P2B P1C P1A 61.9(9) . . ?
C8A P1C P1A 110.3(16) . . ?
P1 P1C C7 148.0(17) . . ?
P1B P1C C7 77.6(12) . . ?
P2B P1C C7 173.7(15) . . ?
C8 P1C C7 41.1(5) . . ?
C1 P1C C7 80.7(10) . . ?
P2 P1C C7 94.8(9) . . ?
P2A P1C C1A 149(2) . . ?
P1B P1C C1A 61.8(11) . . ?
P2B P1C C1A 99.7(13) . . ?
C8A P1C C1A 101.4(14) . . ?
P1A P1C C1A 52.6(6) . . ?
P1 P1C C6 108.3(14) . . ?
P1B P1C C6 79.4(13) . . ?
P2B P1C C6 137.0(15) . . ?
C8 P1C C6 79.0(9) . . ?
C1 P1C C6 40.0(6) . . ?
P2 P1C C6 109.8(11) . . ?
C7 P1C C6 41.3(5) . . ?
P1A P2C P1B 55.3(11) . . ?
P2 P2C P1B 38.0(7) . . ?
P1A P2C P2B 83.7(14) . . ?
P2 P2C P2B 94.5(12) . . ?
P1B P2C P2B 86.0(12) . . ?
P2 P2C P1 95.0(11) . . ?
P1B P2C P1 71.9(10) . . ?
P2B P2C P1 25.9(7) . . ?
P1A P2C P2A 85.7(12) . . ?
P1B P2C P2A 55.7(8) . . ?
P2B P2C P2A 38.8(6) . . ?
P1A P2C P1C 64.2(12) . . ?
P2 P2C P1C 57.2(9) . . ?
P1B P2C P1C 40.7(9) . . ?
P2B P2C P1C 45.5(9) . . ?
P1 P2C P1C 37.8(7) . . ?
P2A P2C P1C 21.8(7) . . ?
P2 P2C C31 55.3(7) . . ?
P1B P2C C31 90.1(10) . . ?
P2B P2C C31 80.5(10) . . ?
P1 P2C C31 102.0(9) . . ?
P1C P2C C31 81.0(9) . . ?
P1A P2C C10 53.8(9) . . ?
P2 P2C C10 141.8(13) . . ?
P1B P2C C10 105.3(11) . . ?
P2B P2C C10 66.4(8) . . ?
P1 P2C C10 53.2(5) . . ?
P2A P2C C10 98.8(8) . . ?
P1C P2C C10 88.4(9) . . ?
C31 P2C C10 141.8(9) . . ?

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
P2B P1 C1 C6 -13(3) . . . . ?
P1C P1 C1 C6 0.5(10) . . . . ?
P2C P1 C1 C6 85.1(8) . . . . ?
C10 P1 C1 C6 164.9(3) . . . . ?
P1B P1 C1 C6 52.4(6) . . . . ?
P2 P1 C1 C6 51.8(3) . . . . ?
P2B P1 C1 C2 168(3) . . . . ?
P1C P1 C1 C2 -178.8(10) . . . . ?
P2C P1 C1 C2 -94.1(7) . . . . ?
C10 P1 C1 C2 -14.4(2) . . . . ?
P1B P1 C1 C2 -126.9(5) . . . . ?
P2 P1 C1 C2 -127.5(2) . . . . ?
P2B P1 C1 P1C -13(3) . . . . ?
P2C P1 C1 P1C 84.6(12) . . . . ?
C10 P1 C1 P1C 164.4(10) . . . . ?
P1B P1 C1 P1C 51.9(11) . . . . ?
P2 P1 C1 P1C 51.3(10) . . . . ?
P2B P1 C1 P1B -65(3) . . . . ?
P1C P1 C1 P1B -51.9(11) . . . . ?
P2C P1 C1 P1B 32.7(8) . . . . ?
C10 P1 C1 P1B 112.5(5) . . . . ?
P2 P1 C1 P1B -0.7(5) . . . . ?
C2 C1 C6 C5 -7.7(5) . . . . ?
P1 C1 C6 C5 173.1(2) . . . . ?
P1C C1 C6 C5 173.4(7) . . . . ?
P1B C1 C6 C5 -143.8(5) . . . . ?
C2 C1 C6 C7 165.7(3) . . . . ?
P1 C1 C6 C7 -13.5(5) . . . . ?
P1C C1 C6 C7 -13.2(8) . . . . ?
P1B C1 C6 C7 29.6(5) . . . . ?
C2 C1 C6 P1C 178.9(8) . . . . ?
P1 C1 C6 P1C -0.3(7) . . . . ?
P1B C1 C6 P1C 42.7(8) . . . . ?
C2 C1 C6 P1B 136.1(5) . . . . ?
P1 C1 C6 P1B -43.1(5) . . . . ?
P1C C1 C6 P1B -42.7(8) . . . . ?
C1 C6 C7 C8 -21.0(8) . . . . ?
C5 C6 C7 C8 151.8(7) . . . . ?
P1C C6 C7 C8 -33.2(9) . . . . ?
P1B C6 C7 C8 7.1(8) . . . . ?
C1 C6 C7 P1C 12.2(7) . . . . ?
C5 C6 C7 P1C -174.9(7) . . . . ?
P1B C6 C7 P1C 40.3(7) . . . . ?
C1 C6 C7 P1B -28.1(5) . . . . ?
C5 C6 C7 P1B 144.7(5) . . . . ?
P1C C6 C7 P1B -40.3(7) . . . . ?
C6 C7 C8 P1B -8.9(10) . . . . ?
P1C C7 C8 P1B -46.1(9) . . . . ?
C6 C7 C8 P1C 37.1(10) . . . . ?
P1B C7 C8 P1C 46.1(9) . . . . ?
C6 C7 C8 P2 -4.7(12) . . . . ?
P1C C7 C8 P2 -41.9(9) . . . . ?
P1B C7 C8 P2 4.2(6) . . . . ?
C6 C7 C8 Si1 -173.0(4) . . . . ?
P1C C7 C8 Si1 149.9(12) . . . . ?
P1B C7 C8 Si1 -164.0(11) . . . . ?
C7 C8 P2 P1B -8.1(11) . . . . ?
P1C C8 P2 P1B -57.1(13) . . . . ?
Si1 C8 P2 P1B 159.8(12) . . . . ?
C7 C8 P2 P2C 34.6(18) . . . . ?
P1B C8 P2 P2C 42.7(18) . . . . ?
P1C C8 P2 P2C -14.4(18) . . . . ?
Si1 C8 P2 P2C -157.5(14) . . . . ?
C7 C8 P2 P1C 49.0(12) . . . . ?
P1B C8 P2 P1C 57.1(13) . . . . ?
Si1 C8 P2 P1C -143.1(12) . . . . ?
C7 C8 P2 C31 144.9(7) . . . . ?
P1B C8 P2 C31 152.9(9) . . . . ?
P1C C8 P2 C31 95.9(9) . . . . ?
Si1 C8 P2 C31 -47.3(7) . . . . ?
C7 C8 P2 P2B 64.2(10) . . . . ?
P1B C8 P2 P2B 72.2(11) . . . . ?
P1C C8 P2 P2B 15.2(10) . . . . ?
Si1 C8 P2 P2B -128.0(7) . . . . ?
C7 C8 P2 P1 45.0(8) . . . . ?
P1B C8 P2 P1 53.1(9) . . . . ?
P1C C8 P2 P1 -4.0(9) . . . . ?
Si1 C8 P2 P1 -147.1(5) . . . . ?
P1B P2 C31 C32 -161.7(18) . . . . ?
P2C P2 C31 C32 -79.5(9) . . . . ?
P1C P2 C31 C32 -165.5(7) . . . . ?
C8 P2 C31 C32 134.3(4) . . . . ?
P2B P2 C31 C32 -128.0(5) . . . . ?
P1 P2 C31 C32 -128.1(2) . . . . ?
P1B P2 C31 C36 15.3(19) . . . . ?
P2C P2 C31 C36 97.5(9) . . . . ?
P1C P2 C31 C36 11.5(7) . . . . ?
C8 P2 C31 C36 -48.7(4) . . . . ?
P2B P2 C31 C36 49.0(5) . . . . ?
P1 P2 C31 C36 48.9(3) . . . . ?
P1B P2 C31 P2C -82(2) . . . . ?
P1C P2 C31 P2C -86.0(11) . . . . ?
C8 P2 C31 P2C -146.2(9) . . . . ?
P2B P2 C31 P2C -48.5(9) . . . . ?
P1 P2 C31 P2C -48.6(8) . . . . ?
C36 C31 C32 C33 -0.3(5) . . . . ?
P2 C31 C32 C33 176.8(3) . . . . ?
P2C C31 C32 C33 140.5(6) . . . . ?
C31 C32 C33 C34 0.9(6) . . . . ?
C32 C33 C34 C35 -0.6(7) . . . . ?
C33 C34 C35 C36 -0.3(6) . . . . ?
C32 C31 C36 C35 -0.6(5) . . . . ?
P2 C31 C36 C35 -177.6(3) . . . . ?
P2C C31 C36 C35 -136.1(6) . . . . ?
C34 C35 C36 C31 0.9(6) . . . . ?
P2C P1A C1A C2 138(3) . . . . ?
P1B P1A C1A C2 171.1(8) . . . . ?
P2B P1A C1A C2 86.7(7) . . . . ?
C10 P1A C1A C2 13.2(5) . . . . ?
P1C P1A C1A C2 122.2(9) . . . . ?
P2A P1A C1A C2 120.5(5) . . . . ?
P2C P1A C1A C6A -35(3) . . . . ?
P1B P1A C1A C6A -1.3(10) . . . . ?
P2B P1A C1A C6A -85.7(10) . . . . ?
C10 P1A C1A C6A -159.2(8) . . . . ?
P1C P1A C1A C6A -50.2(10) . . . . ?
P2A P1A C1A C6A -51.9(8) . . . . ?
P2C P1A C1A P1B -33(3) . . . . ?
P2B P1A C1A P1B -84.5(8) . . . . ?
C10 P1A C1A P1B -157.9(7) . . . . ?
P1C P1A C1A P1B -49.0(9) . . . . ?
P2A P1A C1A P1B -50.6(7) . . . . ?
P2C P1A C1A P1C 16(3) . . . . ?
P1B P1A C1A P1C 49.0(9) . . . . ?
P2B P1A C1A P1C -35.5(8) . . . . ?
C10 P1A C1A P1C -108.9(7) . . . . ?
P2A P1A C1A P1C -1.6(7) . . . . ?
C2 C1A C6A C5 9.9(12) . . . . ?
P1A C1A C6A C5 -178.4(6) . . . . ?
P1B C1A C6A C5 -179.2(8) . . . . ?
P1C C1A C6A C5 140.2(10) . . . . ?
C2 C1A C6A C7A -163.9(7) . . . . ?
P1A C1A C6A C7A 7.7(13) . . . . ?
P1B C1A C6A C7A 6.9(9) . . . . ?
P1C C1A C6A C7A -33.7(10) . . . . ?
C2 C1A C6A P1B -170.8(10) . . . . ?
P1A C1A C6A P1B 0.8(7) . . . . ?
P1C C1A C6A P1B -40.6(7) . . . . ?
C5 C6A C7A C8A -148(2) . . . . ?
C1A C6A C7A C8A 26(2) . . . . ?
P1B C6A C7A C8A 32(2) . . . . ?
C5 C6A C7A P1B 179.8(8) . . . . ?
C1A C6A C7A P1B -6.3(8) . . . . ?
C5 C6A C7A P1C -141.8(10) . . . . ?
C1A C6A C7A P1C 32.1(9) . . . . ?
P1B C6A C7A P1C 38.4(7) . . . . ?
C6A C7A C8A P1C 9(3) . . . . ?
P1B C7A C8A P1C 47.9(10) . . . . ?
C6A C7A C8A P1B -39(2) . . . . ?
P1C C7A C8A P1B -47.9(10) . . . . ?
C6A C7A C8A P2A 8(3) . . . . ?
P1B C7A C8A P2A 47.0(13) . . . . ?
P1C C7A C8A P2A -0.9(11) . . . . ?
C6A C7A C8A Si1 -174.4(10) . . . . ?
P1B C7A C8A Si1 -135(3) . . . . ?
P1C C7A C8A Si1 177(3) . . . . ?
C7A C8A P2A P1C 2(2) . . . . ?
P1B C8A P2A P1C 62.3(19) . . . . ?
Si1 C8A P2A P1C -176(3) . . . . ?
C7A C8A P2A P2B -39(4) . . . . ?
P1C C8A P2A P2B -41(3) . . . . ?
P1B C8A P2A P2B 21(2) . . . . ?
Si1 C8A P2A P2B 143.6(15) . . . . ?
C7A C8A P2A P1B -60(2) . . . . ?
P1C C8A P2A P1B -62.3(19) . . . . ?
Si1 C8A P2A P1B 122(2) . . . . ?
C7A C8A P2A C31A -156(2) . . . . ?
P1C C8A P2A C31A -158.4(18) . . . . ?
P1B C8A P2A C31A -96.1(7) . . . . ?
Si1 C8A P2A C31A 26(2) . . . . ?
C7A C8A P2A P2C -78(2) . . . . ?
P1C C8A P2A P2C -80.1(19) . . . . ?
P1B C8A P2A P2C -17.8(10) . . . . ?
Si1 C8A P2A P2C 104.4(18) . . . . ?
C7A C8A P2A P1A -53(2) . . . . ?
P1C C8A P2A P1A -55.4(18) . . . . ?
P1B C8A P2A P1A 6.9(7) . . . . ?
Si1 C8A P2A P1A 129.0(17) . . . . ?
P1C P2A C31A C32A -175(4) . . . . ?
P2B P2A C31A C32A 90.1(10) . . . . ?
P1B P2A C31A C32A -177.6(8) . . . . ?
C8A P2A C31A C32A -117.8(12) . . . . ?
P2C P2A C31A C32A 143.2(9) . . . . ?
P1A P2A C31A C32A 145.5(7) . . . . ?
P1C P2A C31A C36A 10(4) . . . . ?
P2B P2A C31A C36A -85.2(10) . . . . ?
P1B P2A C31A C36A 7.1(9) . . . . ?
C8A P2A C31A C36A 66.9(12) . . . . ?
P2C P2A C31A C36A -32.1(9) . . . . ?
P1A P2A C31A C36A -29.8(8) . . . . ?
P1C P2A C31A P2B 95(4) . . . . ?
P1B P2A C31A P2B 92.4(8) . . . . ?
C8A P2A C31A P2B 152.2(12) . . . . ?
P2C P2A C31A P2B 53.1(9) . . . . ?
P1A P2A C31A P2B 55.4(7) . . . . ?
C36A C31A C32A C33A -0.1(15) . . . . ?
P2A C31A C32A C33A -175.8(9) . . . . ?
P2B C31A C32A C33A -137.5(10) . . . . ?
C31A C32A C33A C34A -2.6(18) . . . . ?
C32A C33A C34A C35A 5.1(19) . . . . ?
C33A C34A C35A C36A -4.9(18) . . . . ?
C34A C35A C36A C31A 2.1(15) . . . . ?
C32A C31A C36A C35A 0.4(13) . . . . ?
P2A C31A C36A C35A 175.7(7) . . . . ?
P2B C31A C36A C35A 136.2(9) . . . . ?
C6A C1A C2 C3 -25.1(9) . . . . ?
P1A C1A C2 C3 161.6(3) . . . . ?
P1B C1A C2 C3 172.8(12) . . . . ?
P1C C1A C2 C3 -133.4(9) . . . . ?
C6A C1A C2 C9 173.2(6) . . . . ?
P1A C1A C2 C9 0.0(6) . . . . ?
P1B C1A C2 C9 11.2(15) . . . . ?
P1C C1A C2 C9 64.9(10) . . . . ?
C6 C1 C2 C3 13.1(4) . . . . ?
P1 C1 C2 C3 -167.62(18) . . . . ?
P1C C1 C2 C3 -169.5(16) . . . . ?
P1B C1 C2 C3 125.8(6) . . . . ?
C6 C1 C2 C9 -172.0(3) . . . . ?
P1 C1 C2 C9 7.3(3) . . . . ?
P1C C1 C2 C9 5.4(17) . . . . ?
P1B C1 C2 C9 -59.2(6) . . . . ?
C1A C2 C3 C4 20.6(5) . . . . ?
C1 C2 C3 C4 -8.1(3) . . . . ?
C9 C2 C3 C4 178.1(2) . . . . ?
C2 C3 C4 C5 -1.5(3) . . . . ?
C1A C6A C5 C4 10.5(10) . . . . ?
C7A C6A C5 C4 -176.0(6) . . . . ?
C3 C4 C5 C6A -14.7(6) . . . . ?
C3 C4 C5 C6 6.9(4) . . . . ?
C1 C6 C5 C4 -2.2(5) . . . . ?
C7 C6 C5 C4 -175.3(3) . . . . ?
P1B C6 C5 C4 -77.6(9) . . . . ?
C1A C2 C9 C10 -20.5(5) . . . . ?
C3 C2 C9 C10 -178.3(2) . . . . ?
C1 C2 C9 C10 7.5(3) . . . . ?
C2 C9 C10 P1 -17.9(2) . . . . ?
C2 C9 C10 P1A 28.4(2) . . . . ?
C2 C9 C10 Si2 180.00(16) . . . . ?
C2 C9 C10 P2B -24.5(5) . . . . ?
C2 C9 C10 P2C 30.3(7) . . . . ?
P2B P1 C10 C9 -163.0(12) . . . . ?
P1C P1 C10 C9 52(2) . . . . ?
P2C P1 C10 C9 125.6(7) . . . . ?
C1 P1 C10 C9 17.93(19) . . . . ?
P1B P1 C10 C9 83.2(5) . . . . ?
P2 P1 C10 C9 111.17(15) . . . . ?
P2B P1 C10 Si2 -0.4(12) . . . . ?
P1C P1 C10 Si2 -145(2) . . . . ?
P2C P1 C10 Si2 -71.8(7) . . . . ?
C1 P1 C10 Si2 -179.52(16) . . . . ?
P1B P1 C10 Si2 -114.3(5) . . . . ?
P2 P1 C10 Si2 -86.29(14) . . . . ?
P1C P1 C10 P2B -145(3) . . . . ?
P2C P1 C10 P2B -71.4(13) . . . . ?
C1 P1 C10 P2B -179.1(12) . . . . ?
P1B P1 C10 P2B -113.8(13) . . . . ?
P2 P1 C10 P2B -85.9(12) . . . . ?
P2B P1 C10 P2C 71.4(13) . . . . ?
P1C P1 C10 P2C -73(2) . . . . ?
C1 P1 C10 P2C -107.7(7) . . . . ?
P1B P1 C10 P2C -42.4(8) . . . . ?
P2 P1 C10 P2C -14.5(7) . . . . ?
P2C P1A C10 C9 176.5(11) . . . . ?
P1B P1A C10 C9 -77.9(15) . . . . ?
C1A P1A C10 C9 -22.9(3) . . . . ?
P2B P1A C10 C9 -124.8(6) . . . . ?
P1C P1A C10 C9 -90.7(8) . . . . ?
P2A P1A C10 C9 -113.10(16) . . . . ?
P2C P1A C10 Si2 24.3(11) . . . . ?
P1B P1A C10 Si2 129.9(15) . . . . ?
C1A P1A C10 Si2 -175.1(3) . . . . ?
P2B P1A C10 Si2 83.0(6) . . . . ?
P1C P1A C10 Si2 117.1(8) . . . . ?
P2A P1A C10 Si2 94.71(16) . . . . ?
P2C P1A C10 P2B -58.7(13) . . . . ?
P1B P1A C10 P2B 46.9(16) . . . . ?
C1A P1A C10 P2B 101.9(6) . . . . ?
P1C P1A C10 P2B 34.1(10) . . . . ?
P2A P1A C10 P2B 11.7(5) . . . . ?
P1B P1A C10 P2C 105.6(19) . . . . ?
C1A P1A C10 P2C 160.6(12) . . . . ?
P2B P1A C10 P2C 58.7(13) . . . . ?
P1C P1A C10 P2C 92.8(14) . . . . ?
P2A P1A C10 P2C 70.4(11) . . . . ?
C7 C8 Si1 C11 -99.1(7) . . . . ?
P1B C8 Si1 C11 112.1(13) . . . . ?
P1C C8 Si1 C11 12.4(18) . . . . ?
P2 C8 Si1 C11 92.4(6) . . . . ?
C7 C8 Si1 C12 138.0(7) . . . . ?
P1B C8 Si1 C12 -10.9(13) . . . . ?
P1C C8 Si1 C12 -110.5(18) . . . . ?
P2 C8 Si1 C12 -30.6(6) . . . . ?
C7 C8 Si1 C13 20.5(9) . . . . ?
P1B C8 Si1 C13 -128.3(12) . . . . ?
P1C C8 Si1 C13 132.0(17) . . . . ?
P2 C8 Si1 C13 -148.0(4) . . . . ?
C11 Si1 C13 C14 40.8(2) . . . . ?
C8 Si1 C13 C14 -81.5(4) . . . . ?
C12 Si1 C13 C14 162.15(17) . . . . ?
C8A Si1 C13 C14 -74.7(10) . . . . ?
C11 Si1 C13 C18 -139.30(17) . . . . ?
C8 Si1 C13 C18 98.4(4) . . . . ?
C12 Si1 C13 C18 -18.00(19) . . . . ?
C8A Si1 C13 C18 105.1(10) . . . . ?
C18 C13 C14 C15 -0.9(3) . . . . ?
Si1 C13 C14 C15 178.98(18) . . . . ?
C13 C14 C15 C16 0.5(4) . . . . ?
C14 C15 C16 C17 0.2(4) . . . . ?
C15 C16 C17 C18 -0.7(4) . . . . ?
C16 C17 C18 C13 0.3(4) . . . . ?
C14 C13 C18 C17 0.5(3) . . . . ?
Si1 C13 C18 C17 -179.40(17) . . . . ?
C9 C10 Si2 C21 159.7(2) . . . . ?
P1 C10 Si2 C21 0.33(18) . . . . ?
P1A C10 Si2 C21 -54.49(19) . . . . ?
P2B C10 Si2 C21 0.2(4) . . . . ?
P2C C10 Si2 C21 -44.3(5) . . . . ?
C9 C10 Si2 C22 38.9(2) . . . . ?
P1 C10 Si2 C22 -120.45(14) . . . . ?
P1A C10 Si2 C22 -175.26(15) . . . . ?
P2B C10 Si2 C22 -120.6(4) . . . . ?
P2C C10 Si2 C22 -165.1(5) . . . . ?
C9 C10 Si2 C23 -79.7(2) . . . . ?
P1 C10 Si2 C23 120.91(14) . . . . ?
P1A C10 Si2 C23 66.09(17) . . . . ?
P2B C10 Si2 C23 120.8(4) . . . . ?
P2C C10 Si2 C23 76.2(5) . . . . ?
C21 Si2 C23 C24 -139.62(17) . . . . ?
C22 Si2 C23 C24 -16.86(19) . . . . ?
C10 Si2 C23 C24 101.70(17) . . . . ?
C21 Si2 C23 C28 42.8(2) . . . . ?
C22 Si2 C23 C28 165.56(17) . . . . ?
C10 Si2 C23 C28 -75.89(19) . . . . ?
C28 C23 C24 C25 1.3(3) . . . . ?
Si2 C23 C24 C25 -176.37(16) . . . . ?
C23 C24 C25 C26 -1.0(3) . . . . ?
C24 C25 C26 C27 -0.3(3) . . . . ?
C25 C26 C27 C28 1.2(3) . . . . ?
C26 C27 C28 C23 -0.9(3) . . . . ?
C24 C23 C28 C27 -0.4(3) . . . . ?
Si2 C23 C28 C27 177.28(17) . . . . ?
P2C P2 P1B P1C -87.7(14) . . . . ?
C31 P2 P1B P1C -5(3) . . . . ?
C8 P2 P1B P1C 68.5(12) . . . . ?
P2B P2 P1B P1C -38.6(11) . . . . ?
P1 P2 P1B P1C -44.2(10) . . . . ?
P1C P2 P1B P2C 87.7(14) . . . . ?
C31 P2 P1B P2C 82.9(19) . . . . ?
C8 P2 P1B P2C 156.2(10) . . . . ?
P2B P2 P1B P2C 49.2(9) . . . . ?
P1 P2 P1B P2C 43.5(10) . . . . ?
P2C P2 P1B C8 -156.2(10) . . . . ?
P1C P2 P1B C8 -68.5(12) . . . . ?
C31 P2 P1B C8 -73.4(18) . . . . ?
P2B P2 P1B C8 -107.1(7) . . . . ?
P1 P2 P1B C8 -112.7(8) . . . . ?
P2C P2 P1B P1 -43.5(9) . . . . ?
P1C P2 P1B P1 44.2(10) . . . . ?
C31 P2 P1B P1 39(2) . . . . ?
C8 P2 P1B P1 112.7(8) . . . . ?
P2B P2 P1B P1 5.7(5) . . . . ?
P2C P2 P1B C1 -46(2) . . . . ?
P1C P2 P1B C1 41.9(19) . . . . ?
C31 P2 P1B C1 37(4) . . . . ?
C8 P2 P1B C1 110(2) . . . . ?
P2B P2 P1B C1 3(2) . . . . ?
P1 P2 P1B C1 -2.3(17) . . . . ?
P2C P2 P1B C7 -151.4(13) . . . . ?
P1C P2 P1B C7 -63.6(13) . . . . ?
C31 P2 P1B C7 -68(2) . . . . ?
C8 P2 P1B C7 4.9(7) . . . . ?
P2B P2 P1B C7 -102.2(11) . . . . ?
P1 P2 P1B C7 -107.8(12) . . . . ?
P2C P1A P1B P1C 92.1(17) . . . . ?
C1A P1A P1B P1C -75.3(13) . . . . ?
P2B P1A P1B P1C 27.6(13) . . . . ?
C10 P1A P1B P1C -17(2) . . . . ?
P2A P1A P1B P1C 27.2(11) . . . . ?
C1A P1A P1B P2C -167.4(12) . . . . ?
P2B P1A P1B P2C -64.5(12) . . . . ?
C10 P1A P1B P2C -108.9(17) . . . . ?
P1C P1A P1B P2C -92.1(17) . . . . ?
P2A P1A P1B P2C -64.9(12) . . . . ?
P2C P1A P1B P2A 64.9(12) . . . . ?
C1A P1A P1B P2A -102.5(6) . . . . ?
P2B P1A P1B P2A 0.4(7) . . . . ?
C10 P1A P1B P2A -44.0(18) . . . . ?
P1C P1A P1B P2A -27.2(11) . . . . ?
P2C P1A P1B C8A 90(3) . . . . ?
C1A P1A P1B C8A -77(3) . . . . ?
P2B P1A P1B C8A 25(3) . . . . ?
C10 P1A P1B C8A -19(4) . . . . ?
P1C P1A P1B C8A -2(2) . . . . ?
P2A P1A P1B C8A 25(2) . . . . ?
P2C P1A P1B C1A 167.4(12) . . . . ?
P2B P1A P1B C1A 102.9(6) . . . . ?
C10 P1A P1B C1A 58.5(15) . . . . ?
P1C P1A P1B C1A 75.3(13) . . . . ?
P2A P1A P1B C1A 102.5(6) . . . . ?
P2C P1A P1B C7A 162.1(18) . . . . ?
C1A P1A P1B C7A -5.3(12) . . . . ?
P2B P1A P1B C7A 97.6(15) . . . . ?
C10 P1A P1B C7A 53(2) . . . . ?
P1C P1A P1B C7A 70.0(17) . . . . ?
P2A P1A P1B C7A 97.2(15) . . . . ?
C7 C8 P1B P2 173.2(9) . . . . ?
P1C C8 P1B P2 101.0(15) . . . . ?
Si1 C8 P1B P2 -34.3(17) . . . . ?
C7 C8 P1B P1C 72.1(13) . . . . ?
P2 C8 P1B P1C -101.0(15) . . . . ?
Si1 C8 P1B P1C -135.4(15) . . . . ?
C7 C8 P1B P2C 146.2(15) . . . . ?
P1C C8 P1B P2C 74.1(19) . . . . ?
P2 C8 P1B P2C -27.0(12) . . . . ?
Si1 C8 P1B P2C -61(2) . . . . ?
C7 C8 P1B P1 81.2(8) . . . . ?
P1C C8 P1B P1 9.1(12) . . . . ?
P2 C8 P1B P1 -92.0(11) . . . . ?
Si1 C8 P1B P1 -126.3(11) . . . . ?
C7 C8 P1B C1 24.0(8) . . . . ?
P1C C8 P1B C1 -48.2(12) . . . . ?
P2 C8 P1B C1 -149.2(13) . . . . ?
Si1 C8 P1B C1 176.5(8) . . . . ?
P1C C8 P1B C7 -72.1(13) . . . . ?
P2 C8 P1B C7 -173.2(9) . . . . ?
Si1 C8 P1B C7 152.5(16) . . . . ?
P1C P2A P1B P1A 91(2) . . . . ?
P2B P2A P1B P1A -0.6(10) . . . . ?
C31A P2A P1B P1A -90.4(7) . . . . ?
C8A P2A P1B P1A 168.3(12) . . . . ?
P2C P2A P1B P1A -35.2(8) . . . . ?
P2B P2A P1B P1C -92(2) . . . . ?
C31A P2A P1B P1C 178.5(19) . . . . ?
C8A P2A P1B P1C 77(2) . . . . ?
P2C P2A P1B P1C -126(2) . . . . ?
P1A P2A P1B P1C -91(2) . . . . ?
P1C P2A P1B P2C 126(2) . . . . ?
P2B P2A P1B P2C 34.6(11) . . . . ?
C31A P2A P1B P2C -55.2(9) . . . . ?
C8A P2A P1B P2C -156.5(13) . . . . ?
P1A P2A P1B P2C 35.2(8) . . . . ?
P1C P2A P1B C8A -77(2) . . . . ?
P2B P2A P1B C8A -168.9(11) . . . . ?
C31A P2A P1B C8A 101.3(9) . . . . ?
P2C P2A P1B C8A 156.5(13) . . . . ?
P1A P2A P1B C8A -168.3(12) . . . . ?
P1C P2A P1B C1A 25.9(19) . . . . ?
P2B P2A P1B C1A -65.8(10) . . . . ?
C31A P2A P1B C1A -155.6(6) . . . . ?
C8A P2A P1B C1A 103.1(10) . . . . ?
P2C P2A P1B C1A -100.4(11) . . . . ?
P1A P2A P1B C1A -65.2(7) . . . . ?
P1C P2A P1B C7A -49(2) . . . . ?
P2B P2A P1B C7A -140.8(9) . . . . ?
C31A P2A P1B C7A 129.4(6) . . . . ?
C8A P2A P1B C7A 28.1(8) . . . . ?
P2C P2A P1B C7A -175.4(12) . . . . ?
P1A P2A P1B C7A -140.2(11) . . . . ?
C7A C8A P1B P1A 104(3) . . . . ?
P1C C8A P1B P1A 2(3) . . . . ?
P2A C8A P1B P1A -28(3) . . . . ?
Si1 C8A P1B P1A -135(3) . . . . ?
C7A C8A P1B P1C 101.8(19) . . . . ?
P2A C8A P1B P1C -30.2(12) . . . . ?
Si1 C8A P1B P1C -137.3(19) . . . . ?
C7A C8A P1B P2C 165.2(17) . . . . ?
P1C C8A P1B P2C 63(2) . . . . ?
P2A C8A P1B P2C 33.3(18) . . . . ?
Si1 C8A P1B P2C -74(3) . . . . ?
C7A C8A P1B P2A 131.9(16) . . . . ?
P1C C8A P1B P2A 30.2(12) . . . . ?
Si1 C8A P1B P2A -107.2(14) . . . . ?
C7A C8A P1B C1A 36.2(16) . . . . ?
P1C C8A P1B C1A -65.6(14) . . . . ?
P2A C8A P1B C1A -95.8(8) . . . . ?
Si1 C8A P1B C1A 157.1(12) . . . . ?
P1C C8A P1B C7A -101.8(19) . . . . ?
P2A C8A P1B C7A -131.9(16) . . . . ?
Si1 C8A P1B C7A 121(3) . . . . ?
P2C P1 P2B P1C -91.0(12) . . . . ?
C1 P1 P2B P1C 12(3) . . . . ?
C10 P1 P2B P1C -165.2(10) . . . . ?
P1B P1 P2B P1C -47.0(11) . . . . ?
P2 P1 P2B P1C -54.5(10) . . . . ?
P1C P1 P2B P2C 91.0(12) . . . . ?
C1 P1 P2B P2C 103(3) . . . . ?
C10 P1 P2B P2C -74.1(9) . . . . ?
P1B P1 P2B P2C 44.1(9) . . . . ?
P2 P1 P2B P2C 36.6(7) . . . . ?
P1C P1 P2B P2 54.5(10) . . . . ?
P2C P1 P2B P2 -36.6(7) . . . . ?
C1 P1 P2B P2 67(3) . . . . ?
C10 P1 P2B P2 -110.7(4) . . . . ?
P1B P1 P2B P2 7.5(7) . . . . ?
P1C P1 P2B P1B 47.0(11) . . . . ?
P2C P1 P2B P1B -44.1(9) . . . . ?
C1 P1 P2B P1B 59(3) . . . . ?
C10 P1 P2B P1B -118.2(7) . . . . ?
P2 P1 P2B P1B -7.5(7) . . . . ?
P1C P1 P2B C10 165.2(10) . . . . ?
P2C P1 P2B C10 74.1(9) . . . . ?
C1 P1 P2B C10 177(3) . . . . ?
P1B P1 P2B C10 118.2(7) . . . . ?
P2 P1 P2B C10 110.7(4) . . . . ?
P1B P2A P2B P1C 53.3(16) . . . . ?
C31A P2A P2B P1C 157.2(16) . . . . ?
C8A P2A P2B P1C 35(2) . . . . ?
P2C P2A P2B P1C 84.8(18) . . . . ?
P1A P2A P2B P1C 52.8(16) . . . . ?
P1C P2A P2B P2C -84.8(18) . . . . ?
P1B P2A P2B P2C -31.5(10) . . . . ?
C31A P2A P2B P2C 72.5(10) . . . . ?
C8A P2A P2B P2C -49(2) . . . . ?
P1A P2A P2B P2C -31.9(7) . . . . ?
P1C P2A P2B P1A -52.8(16) . . . . ?
P1B P2A P2B P1A 0.4(7) . . . . ?
C31A P2A P2B P1A 104.4(6) . . . . ?
C8A P2A P2B P1A -18(2) . . . . ?
P2C P2A P2B P1A 31.9(7) . . . . ?
P1C P2A P2B P1B -53.3(16) . . . . ?
C31A P2A P2B P1B 103.9(6) . . . . ?
C8A P2A P2B P1B -18(2) . . . . ?
P2C P2A P2B P1B 31.5(10) . . . . ?
P1A P2A P2B P1B -0.4(7) . . . . ?
P1C P2A P2B C10 -29(2) . . . . ?
P1B P2A P2B C10 24.0(15) . . . . ?
C31A P2A P2B C10 127.9(14) . . . . ?
C8A P2A P2B C10 6(3) . . . . ?
P2C P2A P2B C10 55.5(13) . . . . ?
P1A P2A P2B C10 23.6(9) . . . . ?
P1C P2A P2B C31A -157.2(16) . . . . ?
P1B P2A P2B C31A -103.9(6) . . . . ?
C8A P2A P2B C31A -122(2) . . . . ?
P2C P2A P2B C31A -72.5(10) . . . . ?
P1A P2A P2B C31A -104.4(6) . . . . ?
P2C P1A P2B P2A -87.6(14) . . . . ?
P1B P1A P2B P2A -0.6(10) . . . . ?
C1A P1A P2B P2A 72.5(8) . . . . ?
C10 P1A P2B P2A 160.6(9) . . . . ?
P1C P1A P2B P2A 26.2(10) . . . . ?
P2C P1A P2B P1C -113.8(16) . . . . ?
P1B P1A P2B P1C -26.8(12) . . . . ?
C1A P1A P2B P1C 46.3(11) . . . . ?
C10 P1A P2B P1C 134.5(11) . . . . ?
P2A P1A P2B P1C -26.2(10) . . . . ?
P1B P1A P2B P2C 87.0(14) . . . . ?
C1A P1A P2B P2C 160.1(13) . . . . ?
C10 P1A P2B P2C -111.8(13) . . . . ?
P1C P1A P2B P2C 113.8(16) . . . . ?
P2A P1A P2B P2C 87.6(14) . . . . ?
P2C P1A P2B P1B -87.0(14) . . . . ?
C1A P1A P2B P1B 73.1(7) . . . . ?
C10 P1A P2B P1B 161.2(7) . . . . ?
P1C P1A P2B P1B 26.8(12) . . . . ?
P2A P1A P2B P1B 0.6(10) . . . . ?
P2C P1A P2B C10 111.8(13) . . . . ?
P1B P1A P2B C10 -161.2(7) . . . . ?
C1A P1A P2B C10 -88.2(3) . . . . ?
P1C P1A P2B C10 -134.5(11) . . . . ?
P2A P1A P2B C10 -160.6(9) . . . . ?
P2C P1A P2B C31A -33.1(13) . . . . ?
P1B P1A P2B C31A 53.9(8) . . . . ?
C1A P1A P2B C31A 127.0(6) . . . . ?
C10 P1A P2B C31A -144.9(7) . . . . ?
P1C P1A P2B C31A 80.6(11) . . . . ?
P2A P1A P2B C31A 54.5(6) . . . . ?
P2B P2A P1C P1B 91.0(14) . . . . ?
C31A P2A P1C P1B -4(5) . . . . ?
C8A P2A P1C P1B -68.8(17) . . . . ?
P2C P2A P1C P1B 37.0(13) . . . . ?
P1A P2A P1C P1B 42.0(10) . . . . ?
P1B P2A P1C P2B -91.0(14) . . . . ?
C31A P2A P1C P2B -95(4) . . . . ?
C8A P2A P1C P2B -159.8(15) . . . . ?
P2C P2A P1C P2B -54.0(8) . . . . ?
P1A P2A P1C P2B -49.0(11) . . . . ?
P2B P2A P1C C8A 159.8(15) . . . . ?
P1B P2A P1C C8A 68.8(17) . . . . ?
C31A P2A P1C C8A 65(4) . . . . ?
P2C P2A P1C C8A 105.8(15) . . . . ?
P1A P2A P1C C8A 110.9(17) . . . . ?
P2B P2A P1C P1A 49.0(11) . . . . ?
P1B P2A P1C P1A -42.0(10) . . . . ?
C31A P2A P1C P1A -46(4) . . . . ?
C8A P2A P1C P1A -110.9(17) . . . . ?
P2C P2A P1C P1A -5.0(9) . . . . ?
P2B P2A P1C C1A 42(4) . . . . ?
P1B P2A P1C C1A -49(3) . . . . ?
C31A P2A P1C C1A -53(7) . . . . ?
C8A P2A P1C C1A -118(4) . . . . ?
P2C P2A P1C C1A -12(4) . . . . ?
P1A P2A P1C C1A -7(3) . . . . ?
P2B P1 P1C P1B -106.5(16) . . . . ?
P2C P1 P1C P1B -30.3(14) . . . . ?
C1 P1 P1C P1B 77.8(12) . . . . ?
C10 P1 P1C P1B 41(3) . . . . ?
P2 P1 P1C P1B -31.8(8) . . . . ?
P2C P1 P1C P2B 76.3(13) . . . . ?
C1 P1 P1C P2B -175.6(12) . . . . ?
C10 P1 P1C P2B 147(2) . . . . ?
P1B P1 P1C P2B 106.5(16) . . . . ?
P2 P1 P1C P2B 74.8(13) . . . . ?
P2B P1 P1C C8 -86(4) . . . . ?
P2C P1 P1C C8 -10(3) . . . . ?
C1 P1 P1C C8 99(3) . . . . ?
C10 P1 P1C C8 61(5) . . . . ?
P1B P1 P1C C8 21(3) . . . . ?
P2 P1 P1C C8 -11(3) . . . . ?
P2B P1 P1C C1 175.6(12) . . . . ?
P2C P1 P1C C1 -108.1(8) . . . . ?
C10 P1 P1C C1 -37(2) . . . . ?
P1B P1 P1C C1 -77.8(12) . . . . ?
P2 P1 P1C C1 -109.6(9) . . . . ?
P2B P1 P1C P2 -74.8(13) . . . . ?
P2C P1 P1C P2 1.5(10) . . . . ?
C1 P1 P1C P2 109.6(9) . . . . ?
C10 P1 P1C P2 72(3) . . . . ?
P1B P1 P1C P2 31.8(8) . . . . ?
P2B P1 P1C C7 -169(3) . . . . ?
P2C P1 P1C C7 -93(3) . . . . ?
C1 P1 P1C C7 15(2) . . . . ?
C10 P1 P1C C7 -22(5) . . . . ?
P1B P1 P1C C7 -63(2) . . . . ?
P2 P1 P1C C7 -94(3) . . . . ?
P2B P1 P1C C6 175.3(14) . . . . ?
P2C P1 P1C C6 -108.4(11) . . . . ?
C1 P1 P1C C6 -0.3(6) . . . . ?
C10 P1 P1C C6 -37(3) . . . . ?
P1B P1 P1C C6 -78.1(14) . . . . ?
P2 P1 P1C C6 -109.9(13) . . . . ?
P1A P1B P1C P2A -89.8(18) . . . . ?
P2C P1B P1C P2A -52(2) . . . . ?
C8A P1B P1C P2A 89.2(19) . . . . ?
C1A P1B P1C P2A -154.1(19) . . . . ?
C7A P1B P1C P2A 128.8(19) . . . . ?
P2 P1B P1C P1 87.7(14) . . . . ?
P2C P1B P1C P1 32.5(14) . . . . ?
C8 P1B P1C P1 167.9(15) . . . . ?
C1 P1B P1C P1 -68.2(10) . . . . ?
C7 P1B P1C P1 -151.2(16) . . . . ?
P2 P1B P1C P2B 60.0(16) . . . . ?
P1A P1B P1C P2B -33.4(14) . . . . ?
P2C P1B P1C P2B 4.8(15) . . . . ?
C8 P1B P1C P2B 140.2(15) . . . . ?
P2A P1B P1C P2B 56.4(16) . . . . ?
C8A P1B P1C P2B 145.6(17) . . . . ?
P1 P1B P1C P2B -27.7(8) . . . . ?
C1A P1B P1C P2B -97.7(13) . . . . ?
C1 P1B P1C P2B -95.9(13) . . . . ?
C7A P1B P1C P2B -174.8(15) . . . . ?
C7 P1B P1C P2B -178.9(16) . . . . ?
P1A P1B P1C C8A -179.0(12) . . . . ?
P2C P1B P1C C8A -140.8(13) . . . . ?
P2A P1B P1C C8A -89.2(19) . . . . ?
C1A P1B P1C C8A 116.7(10) . . . . ?
C7A P1B P1C C8A 39.7(7) . . . . ?
P2 P1B P1C C8 -80.2(11) . . . . ?
P2C P1B P1C C8 -135.4(11) . . . . ?
P1 P1B P1C C8 -167.9(15) . . . . ?
C1 P1B P1C C8 123.8(9) . . . . ?
C7 P1B P1C C8 40.9(4) . . . . ?
P2 P1B P1C C1 156.0(11) . . . . ?
P2C P1B P1C C1 100.8(11) . . . . ?
C8 P1B P1C C1 -123.8(9) . . . . ?
P1 P1B P1C C1 68.2(10) . . . . ?
C7 P1B P1C C1 -82.9(8) . . . . ?
P2C P1B P1C P2 -55.2(10) . . . . ?
C8 P1B P1C P2 80.2(11) . . . . ?
P1 P1B P1C P2 -87.7(14) . . . . ?
C1 P1B P1C P2 -156.0(11) . . . . ?
C7 P1B P1C P2 121.1(11) . . . . ?
P2C P1B P1C P1A 38.2(8) . . . . ?
P2A P1B P1C P1A 89.8(18) . . . . ?
C8A P1B P1C P1A 179.0(12) . . . . ?
C1A P1B P1C P1A -64.3(7) . . . . ?
C7A P1B P1C P1A -141.4(10) . . . . ?
P2 P1B P1C C7 -121.1(11) . . . . ?
P2C P1B P1C C7 -176.3(11) . . . . ?
C8 P1B P1C C7 -40.9(4) . . . . ?
P1 P1B P1C C7 151.2(16) . . . . ?
C1 P1B P1C C7 82.9(8) . . . . ?
P1A P1B P1C C1A 64.3(7) . . . . ?
P2C P1B P1C C1A 102.5(10) . . . . ?
P2A P1B P1C C1A 154.1(19) . . . . ?
C8A P1B P1C C1A -116.7(10) . . . . ?
C7A P1B P1C C1A -77.1(6) . . . . ?
P2 P1B P1C C6 -163.3(11) . . . . ?
P2C P1B P1C C6 141.5(10) . . . . ?
C8 P1B P1C C6 -83.1(6) . . . . ?
P1 P1B P1C C6 109.0(13) . . . . ?
C1 P1B P1C C6 40.8(4) . . . . ?
C7 P1B P1C C6 -42.2(4) . . . . ?
P2C P2B P1C P2A 92.9(16) . . . . ?
P1A P2B P1C P2A 121.9(16) . . . . ?
P1B P2B P1C P2A 97.4(19) . . . . ?
C10 P2B P1C P2A 159.7(14) . . . . ?
C31A P2B P1C P2A 18.7(13) . . . . ?
P2C P2B P1C P1 -79.1(13) . . . . ?
P2 P2B P1C P1 -102.1(13) . . . . ?
P1B P2B P1C P1 -74.5(16) . . . . ?
C10 P2B P1C P1 -12.3(9) . . . . ?
P1 P2B P1C P1B 74.5(16) . . . . ?
P2A P2B P1C P1B -97.4(19) . . . . ?
P2C P2B P1C P1B -4.6(15) . . . . ?
P1A P2B P1C P1B 24.5(11) . . . . ?
P2 P2B P1C P1B -27.6(9) . . . . ?
C10 P2B P1C P1B 62.2(15) . . . . ?
C31A P2B P1C P1B -78.7(13) . . . . ?
P2A P2B P1C C8A -35(3) . . . . ?
P2C P2B P1C C8A 58(3) . . . . ?
P1A P2B P1C C8A 87(3) . . . . ?
P1B P2B P1C C8A 62(3) . . . . ?
C10 P2B P1C C8A 124(3) . . . . ?
C31A P2B P1C C8A -17(3) . . . . ?
P1 P2B P1C C8 130(2) . . . . ?
P2C P2B P1C C8 51(2) . . . . ?
P2 P2B P1C C8 28.2(17) . . . . ?
P1B P2B P1C C8 55.8(18) . . . . ?
C10 P2B P1C C8 118(2) . . . . ?
P1 P2B P1C C1 -4.1(11) . . . . ?
P2C P2B P1C C1 -83.2(12) . . . . ?
P2 P2B P1C C1 -106.2(11) . . . . ?
P1B P2B P1C C1 -78.6(14) . . . . ?
C10 P2B P1C C1 -16.4(12) . . . . ?
P1 P2B P1C P2 102.1(13) . . . . ?
P2C P2B P1C P2 23.0(10) . . . . ?
P1B P2B P1C P2 27.6(9) . . . . ?
C10 P2B P1C P2 89.8(9) . . . . ?
P2A P2B P1C P1A -121.9(16) . . . . ?
P2C P2B P1C P1A -29.0(8) . . . . ?
P1B P2B P1C P1A -24.5(11) . . . . ?
C10 P2B P1C P1A 37.7(7) . . . . ?
C31A P2B P1C P1A -103.2(7) . . . . ?
P2A P2B P1C C1A -160(2) . . . . ?
P2C P2B P1C C1A -66.9(12) . . . . ?
P1A P2B P1C C1A -37.8(7) . . . . ?
P1B P2B P1C C1A -62.3(12) . . . . ?
C10 P2B P1C C1A -0.1(13) . . . . ?
C31A P2B P1C C1A -141.1(9) . . . . ?
P1 P2B P1C C6 -7(2) . . . . ?
P2C P2B P1C C6 -86(2) . . . . ?
P2 P2B P1C C6 -109(2) . . . . ?
P1B P2B P1C C6 -81(2) . . . . ?
C10 P2B P1C C6 -19(2) . . . . ?
C7A C8A P1C P2A -178(2) . . . . ?
P1B C8A P1C P2A -99(2) . . . . ?
Si1 C8A P1C P2A 7(4) . . . . ?
C7A C8A P1C P1B -78.9(19) . . . . ?
P2A C8A P1C P1B 99(2) . . . . ?
Si1 C8A P1C P1B 106(4) . . . . ?
C7A C8A P1C P2B -150(3) . . . . ?
P1B C8A P1C P2B -71(3) . . . . ?
P2A C8A P1C P2B 29(2) . . . . ?
Si1 C8A P1C P2B 36(6) . . . . ?
C7A C8A P1C P1A -80(2) . . . . ?
P1B C8A P1C P1A -0.7(8) . . . . ?
P2A C8A P1C P1A 99(2) . . . . ?
Si1 C8A P1C P1A 106(4) . . . . ?
C7A C8A P1C C1A -26(2) . . . . ?
P1B C8A P1C C1A 53.4(10) . . . . ?
P2A C8A P1C C1A 153(2) . . . . ?
Si1 C8A P1C C1A 160(3) . . . . ?
C7 C8 P1C P1 -127(4) . . . . ?
P1B C8 P1C P1 -23(3) . . . . ?
P2 C8 P1C P1 13(3) . . . . ?
Si1 C8 P1C P1 111(3) . . . . ?
C7 C8 P1C P1B -103.3(12) . . . . ?
P2 C8 P1C P1B 36.0(8) . . . . ?
Si1 C8 P1C P1B 134.9(16) . . . . ?
C7 C8 P1C P2B -171(2) . . . . ?
P1B C8 P1C P2B -68(2) . . . . ?
P2 C8 P1C P2B -31.9(19) . . . . ?
Si1 C8 P1C P2B 67(3) . . . . ?
C7 C8 P1C C1 -41.5(11) . . . . ?
P1B C8 P1C C1 61.8(12) . . . . ?
P2 C8 P1C C1 97.8(12) . . . . ?
Si1 C8 P1C C1 -163.3(10) . . . . ?
C7 C8 P1C P2 -139.4(8) . . . . ?
P1B C8 P1C P2 -36.0(8) . . . . ?
Si1 C8 P1C P2 98.8(15) . . . . ?
P1B C8 P1C C7 103.3(12) . . . . ?
P2 C8 P1C C7 139.4(8) . . . . ?
Si1 C8 P1C C7 -121.8(19) . . . . ?
C7 C8 P1C C6 -19.7(5) . . . . ?
P1B C8 P1C C6 83.6(11) . . . . ?
P2 C8 P1C C6 119.7(8) . . . . ?
Si1 C8 P1C C6 -141.5(15) . . . . ?
C6 C1 P1C P1 -179.6(8) . . . . ?
C2 C1 P1C P1 3(2) . . . . ?
P1B C1 P1C P1 92.7(13) . . . . ?
C6 C1 P1C P1B 87.7(10) . . . . ?
C2 C1 P1C P1B -90.1(18) . . . . ?
P1 C1 P1C P1B -92.7(13) . . . . ?
C6 C1 P1C P2B -177.5(11) . . . . ?
C2 C1 P1C P2B 5(2) . . . . ?
P1 C1 P1C P2B 2.1(6) . . . . ?
P1B C1 P1C P2B 94.9(15) . . . . ?
C6 C1 P1C C8 34.7(11) . . . . ?
C2 C1 P1C C8 -143.1(11) . . . . ?
P1 C1 P1C C8 -145.7(18) . . . . ?
P1B C1 P1C C8 -53.0(11) . . . . ?
C6 C1 P1C P2 100.6(10) . . . . ?
C2 C1 P1C P2 -77.2(19) . . . . ?
P1 C1 P1C P2 -79.8(11) . . . . ?
P1B C1 P1C P2 13.0(6) . . . . ?
C6 C1 P1C C7 8.5(5) . . . . ?
C2 C1 P1C C7 -169.3(11) . . . . ?
P1 C1 P1C C7 -171.9(12) . . . . ?
P1B C1 P1C C7 -79.2(10) . . . . ?
C2 C1 P1C C6 -177.8(15) . . . . ?
P1 C1 P1C C6 179.6(8) . . . . ?
P1B C1 P1C C6 -87.7(10) . . . . ?
P1B P2 P1C P1 -90.9(16) . . . . ?
P2C P2 P1C P1 -1.9(13) . . . . ?
C31 P2 P1C P1 86.8(11) . . . . ?
C8 P2 P1C P1 -173.4(16) . . . . ?
P2B P2 P1C P1 28.2(8) . . . . ?
P2C P2 P1C P1B 89.0(15) . . . . ?
C31 P2 P1C P1B 177.7(12) . . . . ?
C8 P2 P1C P1B -82.5(13) . . . . ?
P2B P2 P1C P1B 119.1(17) . . . . ?
P1 P2 P1C P1B 90.9(16) . . . . ?
P1B P2 P1C P2B -119.1(17) . . . . ?
P2C P2 P1C P2B -30.1(13) . . . . ?
C31 P2 P1C P2B 58.6(11) . . . . ?
C8 P2 P1C P2B 158.4(14) . . . . ?
P1 P2 P1C P2B -28.2(8) . . . . ?
P1B P2 P1C C8 82.5(13) . . . . ?
P2C P2 P1C C8 171.5(10) . . . . ?
C31 P2 P1C C8 -99.8(6) . . . . ?
P2B P2 P1C C8 -158.4(14) . . . . ?
P1 P2 P1C C8 173.4(16) . . . . ?
P1B P2 P1C C1 -24.6(12) . . . . ?
P2C P2 P1C C1 64.4(13) . . . . ?
C31 P2 P1C C1 153.1(8) . . . . ?
C8 P2 P1C C1 -107.1(13) . . . . ?
P2B P2 P1C C1 94.5(13) . . . . ?
P1 P2 P1C C1 66.3(10) . . . . ?
P1B P2 P1C C7 57.1(13) . . . . ?
P2C P2 P1C C7 146.1(12) . . . . ?
C31 P2 P1C C7 -125.2(7) . . . . ?
C8 P2 P1C C7 -25.4(5) . . . . ?
P2B P2 P1C C7 176.2(16) . . . . ?
P1 P2 P1C C7 148.0(18) . . . . ?
P1B P2 P1C C6 17.5(12) . . . . ?
P2C P2 P1C C6 106.5(12) . . . . ?
C31 P2 P1C C6 -164.8(7) . . . . ?
C8 P2 P1C C6 -65.0(8) . . . . ?
P2B P2 P1C C6 136.6(16) . . . . ?
P1 P2 P1C C6 108.4(16) . . . . ?
C1A P1A P2C P1B 32(3) . . . . ?
P2B P1A P2C P1B 89.5(10) . . . . ?
C10 P1A P2C P1B 154.8(7) . . . . ?
P1C P1A P2C P1B 46.5(9) . . . . ?
P2A P1A P2C P1B 50.6(8) . . . . ?
P1B P1A P2C P2B -89.5(10) . . . . ?
C1A P1A P2C P2B -58(3) . . . . ?
C10 P1A P2C P2B 65.3(8) . . . . ?
P1C P1A P2C P2B -43.1(9) . . . . ?
P2A P1A P2C P2B -39.0(6) . . . . ?
P1B P1A P2C P2A -50.6(7) . . . . ?
C1A P1A P2C P2A -19(3) . . . . ?
P2B P1A P2C P2A 39.0(6) . . . . ?
C10 P1A P2C P2A 104.2(5) . . . . ?
P1C P1A P2C P2A -4.1(8) . . . . ?
P1B P1A P2C P1C -46.5(9) . . . . ?
C1A P1A P2C P1C -14(3) . . . . ?
P2B P1A P2C P1C 43.1(9) . . . . ?
C10 P1A P2C P1C 108.4(7) . . . . ?
P2A P1A P2C P1C 4.1(8) . . . . ?
P1B P1A P2C C10 -154.8(7) . . . . ?
C1A P1A P2C C10 -123(3) . . . . ?
P2B P1A P2C C10 -65.3(8) . . . . ?
P1C P1A P2C C10 -108.4(7) . . . . ?
P2A P1A P2C C10 -104.2(5) . . . . ?
P1C P2 P2C P1B -50.2(12) . . . . ?
C31 P2 P2C P1B -152.9(9) . . . . ?
C8 P2 P2C P1B -38.0(15) . . . . ?
P2B P2 P2C P1B -77.8(13) . . . . ?
P1 P2 P2C P1B -51.8(11) . . . . ?
P1B P2 P2C P2B 77.8(13) . . . . ?
P1C P2 P2C P2B 27.5(12) . . . . ?
C31 P2 P2C P2B -75.1(10) . . . . ?
C8 P2 P2C P2B 39.8(19) . . . . ?
P1 P2 P2C P2B 26.0(7) . . . . ?
P1B P2 P2C P1 51.8(11) . . . . ?
P1C P2 P2C P1 1.5(10) . . . . ?
C31 P2 P2C P1 -101.1(7) . . . . ?
C8 P2 P2C P1 13.8(19) . . . . ?
P2B P2 P2C P1 -26.0(7) . . . . ?
P1B P2 P2C P1C 50.2(12) . . . . ?
C31 P2 P2C P1C -102.7(8) . . . . ?
C8 P2 P2C P1C 12.2(15) . . . . ?
P2B P2 P2C P1C -27.5(12) . . . . ?
P1 P2 P2C P1C -1.5(10) . . . . ?
P1B P2 P2C C31 152.9(9) . . . . ?
P1C P2 P2C C31 102.7(8) . . . . ?
C8 P2 P2C C31 114.9(12) . . . . ?
P2B P2 P2C C31 75.1(10) . . . . ?
P1 P2 P2C C31 101.1(7) . . . . ?
P1B P2 P2C C10 21(2) . . . . ?
P1C P2 P2C C10 -29.1(19) . . . . ?
C31 P2 P2C C10 -131.7(18) . . . . ?
C8 P2 P2C C10 -17(3) . . . . ?
P2B P2 P2C C10 -56.6(17) . . . . ?
P1 P2 P2C C10 -30.6(13) . . . . ?
P1C P1B P2C P1A -89.5(15) . . . . ?
P2A P1B P2C P1A -111.1(11) . . . . ?
C8A P1B P2C P1A -142(2) . . . . ?
C1A P1B P2C P1A -11.7(11) . . . . ?
C7A P1B P2C P1A -87(6) . . . . ?
P1C P1B P2C P2 98.0(15) . . . . ?
C8 P1B P2C P2 33.3(14) . . . . ?
P1 P1B P2C P2 124.6(11) . . . . ?
C1 P1B P2C P2 157.5(12) . . . . ?
C7 P1B P2C P2 90(3) . . . . ?
P2 P1B P2C P2B -102.4(12) . . . . ?
P1A P1B P2C P2B 85.0(12) . . . . ?
P1C P1B P2C P2B -4.5(14) . . . . ?
C8 P1B P2C P2B -69.1(17) . . . . ?
P2A P1B P2C P2B -26.1(8) . . . . ?
C8A P1B P2C P2B -57(2) . . . . ?
P1 P1B P2C P2B 22.2(6) . . . . ?
C1A P1B P2C P2B 73.3(11) . . . . ?
C1 P1B P2C P2B 55.1(10) . . . . ?
C7A P1B P2C P2B -2(6) . . . . ?
C7 P1B P2C P2B -13(3) . . . . ?
P2 P1B P2C P1 -124.6(11) . . . . ?
P1C P1B P2C P1 -26.7(12) . . . . ?
C8 P1B P2C P1 -91.3(15) . . . . ?
C1 P1B P2C P1 32.9(7) . . . . ?
C7 P1B P2C P1 -35(3) . . . . ?
P1A P1B P2C P2A 111.1(11) . . . . ?
P1C P1B P2C P2A 21.6(10) . . . . ?
C8A P1B P2C P2A -30.9(18) . . . . ?
C1A P1B P2C P2A 99.4(8) . . . . ?
C7A P1B P2C P2A 24(6) . . . . ?
P2 P1B P2C P1C -98.0(15) . . . . ?
P1A P1B P2C P1C 89.5(15) . . . . ?
C8 P1B P2C P1C -64.6(17) . . . . ?
P2A P1B P2C P1C -21.6(10) . . . . ?
C8A P1B P2C P1C -53(2) . . . . ?
P1 P1B P2C P1C 26.7(12) . . . . ?
C1A P1B P2C P1C 77.8(13) . . . . ?
C1 P1B P2C P1C 59.5(11) . . . . ?
C7A P1B P2C P1C 2(6) . . . . ?
C7 P1B P2C P1C -8(2) . . . . ?
P2 P1B P2C C31 -22.0(7) . . . . ?
P1C P1B P2C C31 76.0(13) . . . . ?
C8 P1B P2C C31 11.3(17) . . . . ?
P1 P1B P2C C31 102.6(8) . . . . ?
C1 P1B P2C C31 135.5(7) . . . . ?
C7 P1B P2C C31 68(3) . . . . ?
P2 P1B P2C C10 -166.6(13) . . . . ?
P1A P1B P2C C10 20.8(6) . . . . ?
P1C P1B P2C C10 -68.7(14) . . . . ?
C8 P1B P2C C10 -133.3(13) . . . . ?
P2A P1B P2C C10 -90.3(8) . . . . ?
C8A P1B P2C C10 -121.2(19) . . . . ?
P1 P1B P2C C10 -42.0(6) . . . . ?
C1A P1B P2C C10 9.1(11) . . . . ?
C1 P1B P2C C10 -9.1(10) . . . . ?
C7A P1B P2C C10 -67(6) . . . . ?
C7 P1B P2C C10 -77(3) . . . . ?
P2A P2B P2C P1A 90.9(13) . . . . ?
P1C P2B P2C P1A 59.6(15) . . . . ?
P1B P2B P2C P1A 55.5(10) . . . . ?
C10 P2B P2C P1A -53.1(10) . . . . ?
C31A P2B P2C P1A 146.0(13) . . . . ?
P1 P2B P2C P2 -92.4(14) . . . . ?
P1C P2B P2C P2 -33.0(14) . . . . ?
P1B P2B P2C P2 -37.1(8) . . . . ?
C10 P2B P2C P2 -145.7(11) . . . . ?
P1 P2B P2C P1B -55.2(13) . . . . ?
P2A P2B P2C P1B 35.4(11) . . . . ?
P1C P2B P2C P1B 4.1(13) . . . . ?
P1A P2B P2C P1B -55.5(10) . . . . ?
P2 P2B P2C P1B 37.1(8) . . . . ?
C10 P2B P2C P1B -108.6(10) . . . . ?
C31A P2B P2C P1B 90.4(9) . . . . ?
P1C P2B P2C P1 59.3(13) . . . . ?
P2 P2B P2C P1 92.4(14) . . . . ?
P1B P2B P2C P1 55.2(13) . . . . ?
C10 P2B P2C P1 -53.4(9) . . . . ?
P1C P2B P2C P2A -31.3(10) . . . . ?
P1A P2B P2C P2A -90.9(13) . . . . ?
P1B P2B P2C P2A -35.4(11) . . . . ?
C10 P2B P2C P2A -144.0(10) . . . . ?
C31A P2B P2C P2A 55.1(7) . . . . ?
P1 P2B P2C P1C -59.3(13) . . . . ?
P2A P2B P2C P1C 31.3(10) . . . . ?
P1A P2B P2C P1C -59.6(15) . . . . ?
P2 P2B P2C P1C 33.0(14) . . . . ?
P1B P2B P2C P1C -4.1(13) . . . . ?
C10 P2B P2C P1C -112.7(12) . . . . ?
C31A P2B P2C P1C 86.4(11) . . . . ?
P1 P2B P2C C31 -146.0(12) . . . . ?
P1C P2B P2C C31 -86.7(11) . . . . ?
P2 P2B P2C C31 -53.7(8) . . . . ?
P1B P2B P2C C31 -90.8(9) . . . . ?
C10 P2B P2C C31 160.6(7) . . . . ?
P1 P2B P2C C10 53.4(9) . . . . ?
P2A P2B P2C C10 144.0(10) . . . . ?
P1C P2B P2C C10 112.7(12) . . . . ?
P1A P2B P2C C10 53.1(10) . . . . ?
P2 P2B P2C C10 145.7(11) . . . . ?
P1B P2B P2C C10 108.6(10) . . . . ?
C31A P2B P2C C10 -160.9(7) . . . . ?
P2B P1 P2C P2 89.8(14) . . . . ?
P1C P1 P2C P2 -2.1(14) . . . . ?
C1 P1 P2C P2 -70.0(10) . . . . ?
C10 P1 P2C P2 -156.9(10) . . . . ?
P1B P1 P2C P2 -30.6(8) . . . . ?
P2B P1 P2C P1B 120.4(14) . . . . ?
P1C P1 P2C P1B 28.5(13) . . . . ?
C1 P1 P2C P1B -39.4(9) . . . . ?
C10 P1 P2C P1B -126.3(8) . . . . ?
P2 P1 P2C P1B 30.6(8) . . . . ?
P1C P1 P2C P2B -91.9(16) . . . . ?
C1 P1 P2C P2B -159.8(11) . . . . ?
C10 P1 P2C P2B 113.3(11) . . . . ?
P1B P1 P2C P2B -120.4(14) . . . . ?
P2 P1 P2C P2B -89.8(15) . . . . ?
P2B P1 P2C P1C 91.9(16) . . . . ?
C1 P1 P2C P1C -67.9(11) . . . . ?
C10 P1 P2C P1C -154.8(11) . . . . ?
P1B P1 P2C P1C -28.5(13) . . . . ?
P2 P1 P2C P1C 2.1(14) . . . . ?
P2B P1 P2C C31 34.3(12) . . . . ?
P1C P1 P2C C31 -57.6(13) . . . . ?
C1 P1 P2C C31 -125.5(5) . . . . ?
C10 P1 P2C C31 147.6(7) . . . . ?
P1B P1 P2C C31 -86.1(10) . . . . ?
P2 P1 P2C C31 -55.5(8) . . . . ?
P2B P1 P2C C10 -113.3(11) . . . . ?
P1C P1 P2C C10 154.8(11) . . . . ?
C1 P1 P2C C10 86.9(3) . . . . ?
P1B P1 P2C C10 126.3(8) . . . . ?
P2 P1 P2C C10 156.9(10) . . . . ?

_refine_diff_density_max         0.545
_refine_diff_density_min         -0.398
_refine_diff_density_rms         0.056



####################################################################### 
# 
# 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_sad_a_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2014282'
loop_
_audit_author_name
_audit_author_address
'Werner Uhl'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2020-07-06 deposited with the CCDC.	2021-01-18 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         ?
_chemical_formula_sum            'C53 H60 Cl2 O4 P2 Si4'
_chemical_formula_weight         1006.21

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   10.1186(8)
_cell_length_b                   18.8541(15)
_cell_length_c                   27.477(2)
_cell_angle_alpha                90
_cell_angle_beta                 91.367(3)
_cell_angle_gamma                90
_cell_volume                     5240.5(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9952
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      29.87
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_F_000             2120
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.320
_shelx_estimated_absorpt_T_min   0.877
_shelx_estimated_absorpt_T_max   0.954
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6702
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            61201
_diffrn_reflns_av_unetI/netI     0.0809
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         2.129
_diffrn_reflns_theta_max         30.180
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             15465
_reflns_number_gt                9854
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT+'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0549P)²+3.0211P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15465
_refine_ls_number_parameters     621
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.1072
_refine_ls_R_factor_gt           0.0545
_refine_ls_wR_factor_ref         0.1346
_refine_ls_wR_factor_gt          0.1149
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_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 0.0309(3) 0.43178(16) 0.73217(11) 0.0487(8) Uani 1 1 d D . . . .
H1A H 0.128456 0.432808 0.735809 0.058 Uiso 1 1 calc R U . A 1
H1B H -0.006769 0.450707 0.762455 0.058 Uiso 1 1 calc R U . A 1
Cl1 Cl -0.0190(2) 0.48499(15) 0.68274(12) 0.0603(10) Uani 0.662(15) 1 d D U P B
1
Cl2 Cl -0.0213(3) 0.34592(13) 0.72331(11) 0.0347(7) Uani 0.662(15) 1 d D U P B
1
Cl1A Cl 0.0011(13) 0.4991(5) 0.6906(4) 0.147(4) Uani 0.338(15) 1 d D U P B 2
Cl2A Cl -0.0168(10) 0.3462(4) 0.7194(4) 0.086(3) Uani 0.338(15) 1 d D U P B 2
P1 P 0.58135(6) 0.51436(3) 0.69941(2) 0.01548(12) Uani 1 1 d . . . . .
O11 O 0.43579(15) 0.50427(8) 0.68361(6) 0.0188(3) Uani 1 1 d . . . . .
O12 O 0.64872(15) 0.44554(8) 0.71404(6) 0.0190(3) Uani 1 1 d . . . . .
C11 C 0.6039(2) 0.58058(11) 0.74602(8) 0.0151(4) Uani 1 1 d . . . . .
C12 C 0.6864(2) 0.63306(11) 0.72689(8) 0.0154(4) Uani 1 1 d . . . . .
C13 C 0.7243(2) 0.69069(11) 0.75517(8) 0.0175(4) Uani 1 1 d . . . . .
H13 H 0.781020 0.726093 0.742664 0.021 Uiso 1 1 calc R U . . .
C14 C 0.6776(2) 0.69572(11) 0.80230(8) 0.0177(4) Uani 1 1 d . . . . .
H14 H 0.703781 0.734660 0.822246 0.021 Uiso 1 1 calc R U . . .
C15 C 0.5942(2) 0.64510(11) 0.82036(8) 0.0170(4) Uani 1 1 d . . . . .
H15 H 0.562108 0.650535 0.852353 0.020 Uiso 1 1 calc R U . . .
C16 C 0.5550(2) 0.58545(11) 0.79281(8) 0.0150(4) Uani 1 1 d . . . . .
C17 C 0.4631(2) 0.53161(11) 0.81187(8) 0.0159(4) Uani 1 1 d . . . . .
H17 H 0.438271 0.493948 0.790581 0.019 Uiso 1 1 calc R U . . .
C18 C 0.4120(2) 0.53109(12) 0.85611(8) 0.0178(4) Uani 1 1 d . . . . .
H18 H 0.447335 0.565165 0.878322 0.021 Uiso 1 1 calc R U . . .
C19 C 0.7209(2) 0.62000(11) 0.67561(8) 0.0172(4) Uani 1 1 d . . . . .
H19 H 0.776866 0.651462 0.658643 0.021 Uiso 1 1 calc R U . . .
C110 C 0.6699(2) 0.56183(11) 0.65402(8) 0.0171(4) Uani 1 1 d . . . . .
Si11 Si 0.28053(6) 0.47242(3) 0.88025(2) 0.01628(13) Uani 1 1 d . . . . .
C111 C 0.1317(2) 0.53116(11) 0.88564(8) 0.0175(4) Uani 1 1 d . . . . .
C112 C 0.0843(2) 0.56776(12) 0.84449(9) 0.0200(5) Uani 1 1 d . . . . .
H112 H 0.130195 0.563763 0.814847 0.024 Uiso 1 1 calc R U . . .
C113 C -0.0280(2) 0.60970(13) 0.84602(9) 0.0248(5) Uani 1 1 d . . . . .
H113 H -0.058401 0.634124 0.817659 0.030 Uiso 1 1 calc R U . . .
C114 C -0.0954(2) 0.61586(13) 0.88879(10) 0.0276(6) Uani 1 1 d . . . . .
H114 H -0.172803 0.644259 0.889854 0.033 Uiso 1 1 calc R U . . .
C115 C -0.0506(2) 0.58087(13) 0.93005(9) 0.0268(5) Uani 1 1 d . . . . .
H115 H -0.096806 0.585503 0.959577 0.032 Uiso 1 1 calc R U . . .
C116 C 0.0621(2) 0.53880(12) 0.92848(9) 0.0226(5) Uani 1 1 d . . . . .
H116 H 0.092178 0.514873 0.957095 0.027 Uiso 1 1 calc R U . . .
C117 C 0.3284(2) 0.43851(13) 0.94194(9) 0.0247(5) Uani 1 1 d . . . . .
H11A H 0.253332 0.413452 0.955869 0.030 Uiso 1 1 calc R U . . .
H11B H 0.353740 0.478401 0.963042 0.030 Uiso 1 1 calc R U . . .
H11C H 0.403256 0.405868 0.939336 0.030 Uiso 1 1 calc R U . . .
C118 C 0.2401(2) 0.39752(12) 0.83909(9) 0.0248(5) Uani 1 1 d . . . . .
H11D H 0.241851 0.413763 0.805236 0.030 Uiso 1 1 calc R U . . .
H11E H 0.151743 0.379509 0.846148 0.030 Uiso 1 1 calc R U . . .
H11F H 0.305253 0.359601 0.844083 0.030 Uiso 1 1 calc R U . . .
Si12 Si 0.68790(7) 0.53415(3) 0.58935(2) 0.02118(14) Uani 1 1 d . . . . .
C121 C 0.8422(2) 0.57563(12) 0.56620(8) 0.0220(5) Uani 1 1 d . . . . .
C122 C 0.9600(3) 0.53783(14) 0.56363(10) 0.0341(6) Uani 1 1 d . . . . .
H122 H 0.961419 0.489472 0.573347 0.041 Uiso 1 1 calc R U . . .
C123 C 1.0752(3) 0.56848(15) 0.54735(11) 0.0384(7) Uani 1 1 d . . . . .
H123 H 1.154371 0.541468 0.546348 0.046 Uiso 1 1 calc R U . . .
C124 C 1.0745(3) 0.63836(14) 0.53260(9) 0.0302(6) Uani 1 1 d . . . . .
H124 H 1.153107 0.659520 0.521155 0.036 Uiso 1 1 calc R U . . .
C125 C 0.9599(3) 0.67744(13) 0.53447(9) 0.0271(5) Uani 1 1 d . . . . .
H125 H 0.959340 0.725556 0.524202 0.032 Uiso 1 1 calc R U . . .
C126 C 0.8449(3) 0.64656(13) 0.55138(8) 0.0237(5) Uani 1 1 d . . . . .
H126 H 0.766618 0.674215 0.552881 0.028 Uiso 1 1 calc R U . . .
C127 C 0.5420(3) 0.56669(15) 0.55364(10) 0.0343(6) Uani 1 1 d . . . . .
H12A H 0.461641 0.544689 0.565948 0.041 Uiso 1 1 calc R U . . .
H12B H 0.551629 0.554205 0.519283 0.041 Uiso 1 1 calc R U . . .
H12C H 0.535684 0.618338 0.556841 0.041 Uiso 1 1 calc R U . . .
C128 C 0.6984(3) 0.43568(13) 0.58683(10) 0.0340(6) Uani 1 1 d . . . . .
H12D H 0.772400 0.419446 0.607625 0.041 Uiso 1 1 calc R U . . .
H12E H 0.712453 0.420642 0.553205 0.041 Uiso 1 1 calc R U . . .
H12F H 0.615878 0.415087 0.598330 0.041 Uiso 1 1 calc R U . . .
P2 P 0.40921(5) 0.32250(3) 0.70826(2) 0.01537(12) Uani 1 1 d . . . . .
O21 O 0.55037(15) 0.32916(8) 0.68967(6) 0.0182(3) Uani 1 1 d . . . . .
O22 O 0.34972(14) 0.39348(8) 0.72195(6) 0.0167(3) Uani 1 1 d . . . . .
C21 C 0.3946(2) 0.25861(11) 0.75661(8) 0.0143(4) Uani 1 1 d . . . . .
C22 C 0.3045(2) 0.20680(11) 0.74023(8) 0.0158(4) Uani 1 1 d . . . . .
C23 C 0.2725(2) 0.15057(11) 0.76999(8) 0.0186(5) Uani 1 1 d . . . . .
H23 H 0.211210 0.115471 0.759179 0.022 Uiso 1 1 calc R U . . .
C24 C 0.3320(2) 0.14637(12) 0.81615(8) 0.0188(5) Uani 1 1 d . . . . .
H24 H 0.310280 0.108155 0.837028 0.023 Uiso 1 1 calc R U . . .
C25 C 0.4216(2) 0.19669(11) 0.83200(8) 0.0184(4) Uani 1 1 d . . . . .
H25 H 0.461480 0.192092 0.863494 0.022 Uiso 1 1 calc R U . . .
C26 C 0.4557(2) 0.25495(11) 0.80261(8) 0.0152(4) Uani 1 1 d . . . . .
C27 C 0.5529(2) 0.30883(11) 0.81904(8) 0.0170(4) Uani 1 1 d . . . . .
H27 H 0.578235 0.342925 0.795566 0.020 Uiso 1 1 calc R U . . .
C28 C 0.6089(2) 0.31476(12) 0.86317(8) 0.0192(5) Uani 1 1 d . . . . .
H28 H 0.576137 0.284570 0.887799 0.023 Uiso 1 1 calc R U . . .
C29 C 0.2562(2) 0.21870(11) 0.68972(8) 0.0176(4) Uani 1 1 d . . . . .
H29 H 0.193763 0.187662 0.674557 0.021 Uiso 1 1 calc R U . . .
C210 C 0.3041(2) 0.27517(11) 0.66611(8) 0.0165(4) Uani 1 1 d . . . . .
Si21 Si 0.74534(6) 0.37652(3) 0.88142(2) 0.01812(14) Uani 1 1 d . . . . .
C211 C 0.8930(2) 0.31904(12) 0.89445(8) 0.0198(5) Uani 1 1 d . . . . .
C212 C 0.9400(2) 0.27619(13) 0.85732(9) 0.0246(5) Uani 1 1 d . . . . .
H212 H 0.893830 0.275545 0.826819 0.029 Uiso 1 1 calc R U . . .
C213 C 1.0516(3) 0.23464(14) 0.86342(11) 0.0319(6) Uani 1 1 d . . . . .
H213 H 1.081689 0.206284 0.837339 0.038 Uiso 1 1 calc R U . . .
C214 C 1.1188(3) 0.23462(14) 0.90748(11) 0.0349(7) Uani 1 1 d . . . . .
H214 H 1.195899 0.206386 0.911850 0.042 Uiso 1 1 calc R U . . .
C215 C 1.0743(3) 0.27554(15) 0.94542(10) 0.0350(7) Uani 1 1 d . . . . .
H215 H 1.120364 0.275003 0.975964 0.042 Uiso 1 1 calc R U . . .
C216 C 0.9625(2) 0.31745(14) 0.93899(9) 0.0273(5) Uani 1 1 d . . . . .
H216 H 0.932804 0.345501 0.965286 0.033 Uiso 1 1 calc R U . . .
C217 C 0.7043(2) 0.42701(14) 0.93723(9) 0.0298(6) Uani 1 1 d . . . . .
H21A H 0.782360 0.453368 0.948825 0.036 Uiso 1 1 calc R U . . .
H21B H 0.676630 0.393957 0.962566 0.036 Uiso 1 1 calc R U . . .
H21C H 0.632274 0.460291 0.929714 0.036 Uiso 1 1 calc R U . . .
C218 C 0.7835(2) 0.43739(13) 0.83092(9) 0.0253(5) Uani 1 1 d . . . . .
H21D H 0.709685 0.470345 0.825600 0.030 Uiso 1 1 calc R U . . .
H21E H 0.797165 0.409884 0.801194 0.030 Uiso 1 1 calc R U . . .
H21F H 0.863934 0.464192 0.839187 0.030 Uiso 1 1 calc R U . . .
Si22 Si 0.26803(6) 0.30071(3) 0.60158(2) 0.01757(13) Uani 1 1 d . . . . .
C221 C 0.1136(2) 0.25335(12) 0.58133(8) 0.0180(4) Uani 1 1 d . . . . .
C222 C 0.1176(2) 0.18702(12) 0.55873(8) 0.0198(5) Uani 1 1 d . . . . .
H222 H 0.200341 0.164084 0.555084 0.024 Uiso 1 1 calc R U . . .
C223 C 0.0033(2) 0.15393(13) 0.54149(8) 0.0230(5) Uani 1 1 d . . . . .
H223 H 0.008282 0.108943 0.526070 0.028 Uiso 1 1 calc R U . . .
C224 C -0.1180(2) 0.18657(13) 0.54680(8) 0.0240(5) Uani 1 1 d . . . . .
H224 H -0.196177 0.164302 0.534517 0.029 Uiso 1 1 calc R U . . .
C225 C -0.1258(2) 0.25138(13) 0.56990(9) 0.0241(5) Uani 1 1 d . . . . .
H225 H -0.209337 0.273308 0.574025 0.029 Uiso 1 1 calc R U . . .
C226 C -0.0112(2) 0.28453(12) 0.58713(8) 0.0208(5) Uani 1 1 d . . . . .
H226 H -0.017369 0.329055 0.603101 0.025 Uiso 1 1 calc R U . . .
C227 C 0.2443(3) 0.39810(12) 0.59631(10) 0.0286(6) Uani 1 1 d . . . . .
H22A H 0.174259 0.413179 0.618079 0.034 Uiso 1 1 calc R U . . .
H22B H 0.219097 0.410170 0.562657 0.034 Uiso 1 1 calc R U . . .
H22C H 0.326864 0.422357 0.605415 0.034 Uiso 1 1 calc R U . . .
C228 C 0.4092(2) 0.27326(14) 0.56378(9) 0.0287(6) Uani 1 1 d . . . . .
H22D H 0.490477 0.295719 0.576294 0.034 Uiso 1 1 calc R U . . .
H22E H 0.392565 0.288024 0.529992 0.034 Uiso 1 1 calc R U . . .
H22F H 0.418932 0.221583 0.565145 0.034 Uiso 1 1 calc R U . . .
H1 H 0.392(4) 0.445(2) 0.7006(15) 0.108(15) Uiso 1 1 d . . . . .
H2 H 0.597(5) 0.388(3) 0.6995(16) 0.120(16) Uiso 1 1 d . . . . .


_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 Cl2 1.719(4) . ?
C1 Cl2A 1.719(9) . ?
C1 Cl1A 1.7280(10) . ?
C1 Cl1 1.753(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
P1 O12 1.5155(16) . ?
P1 O11 1.5373(16) . ?
P1 C110 1.792(2) . ?
P1 C11 1.799(2) . ?
O11 H1 1.29(5) . ?
O12 H2 1.27(5) . ?
C11 C16 1.392(3) . ?
C11 C12 1.404(3) . ?
C12 C13 1.385(3) . ?
C12 C19 1.480(3) . ?
C13 C14 1.392(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.375(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.407(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.481(3) . ?
C17 C18 1.332(3) . ?
C17 H17 0.9500 . ?
C18 Si11 1.865(2) . ?
C18 H18 0.9500 . ?
C19 C110 1.344(3) . ?
C19 H19 0.9500 . ?
C110 Si12 1.865(2) . ?
Si11 C118 1.849(2) . ?
Si11 C117 1.865(2) . ?
Si11 C111 1.878(2) . ?
C111 C116 1.394(3) . ?
C111 C112 1.399(3) . ?
C112 C113 1.386(3) . ?
C112 H112 0.9500 . ?
C113 C114 1.378(3) . ?
C113 H113 0.9500 . ?
C114 C115 1.379(4) . ?
C114 H114 0.9500 . ?
C115 C116 1.391(3) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C117 H11A 0.9800 . ?
C117 H11B 0.9800 . ?
C117 H11C 0.9800 . ?
C118 H11D 0.9800 . ?
C118 H11E 0.9800 . ?
C118 H11F 0.9800 . ?
Si12 C127 1.857(3) . ?
Si12 C128 1.861(3) . ?
Si12 C121 1.871(2) . ?
C121 C122 1.392(3) . ?
C121 C126 1.398(3) . ?
C122 C123 1.385(4) . ?
C122 H122 0.9500 . ?
C123 C124 1.378(4) . ?
C123 H123 0.9500 . ?
C124 C125 1.376(4) . ?
C124 H124 0.9500 . ?
C125 C126 1.391(3) . ?
C125 H125 0.9500 . ?
C126 H126 0.9500 . ?
C127 H12A 0.9800 . ?
C127 H12B 0.9800 . ?
C127 H12C 0.9800 . ?
C128 H12D 0.9800 . ?
C128 H12E 0.9800 . ?
C128 H12F 0.9800 . ?
P2 O22 1.5183(16) . ?
P2 O21 1.5335(16) . ?
P2 C210 1.792(2) . ?
P2 C21 1.802(2) . ?
O21 H2 1.23(5) . ?
O22 H1 1.22(5) . ?
C21 C26 1.396(3) . ?
C21 C22 1.403(3) . ?
C22 C23 1.382(3) . ?
C22 C29 1.478(3) . ?
C23 C24 1.393(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.376(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.411(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.477(3) . ?
C27 C28 1.331(3) . ?
C27 H27 0.9500 . ?
C28 Si21 1.866(2) . ?
C28 H28 0.9500 . ?
C29 C210 1.343(3) . ?
C29 H29 0.9500 . ?
C210 Si22 1.865(2) . ?
Si21 C218 1.849(2) . ?
Si21 C217 1.860(2) . ?
Si21 C211 1.873(2) . ?
C211 C212 1.394(3) . ?
C211 C216 1.398(3) . ?
C212 C213 1.381(3) . ?
C212 H212 0.9500 . ?
C213 C214 1.374(4) . ?
C213 H213 0.9500 . ?
C214 C215 1.381(4) . ?
C214 H214 0.9500 . ?
C215 C216 1.388(4) . ?
C215 H215 0.9500 . ?
C216 H216 0.9500 . ?
C217 H21A 0.9800 . ?
C217 H21B 0.9800 . ?
C217 H21C 0.9800 . ?
C218 H21D 0.9800 . ?
C218 H21E 0.9800 . ?
C218 H21F 0.9800 . ?
Si22 C227 1.857(2) . ?
Si22 C228 1.859(3) . ?
Si22 C221 1.873(2) . ?
C221 C222 1.397(3) . ?
C221 C226 1.405(3) . ?
C222 C223 1.387(3) . ?
C222 H222 0.9500 . ?
C223 C224 1.384(3) . ?
C223 H223 0.9500 . ?
C224 C225 1.380(3) . ?
C224 H224 0.9500 . ?
C225 C226 1.391(3) . ?
C225 H225 0.9500 . ?
C226 H226 0.9500 . ?
C227 H22A 0.9800 . ?
C227 H22B 0.9800 . ?
C227 H22C 0.9800 . ?
C228 H22D 0.9800 . ?
C228 H22E 0.9800 . ?
C228 H22F 0.9800 . ?

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
Cl2A C1 Cl1A 120.8(6) . . ?
Cl2 C1 Cl1 110.3(2) . . ?
Cl2 C1 H1A 109.6 . . ?
Cl1 C1 H1A 109.6 . . ?
Cl2 C1 H1B 109.6 . . ?
Cl1 C1 H1B 109.6 . . ?
H1A C1 H1B 108.1 . . ?
O12 P1 O11 113.00(9) . . ?
O12 P1 C110 112.53(10) . . ?
O11 P1 C110 110.90(10) . . ?
O12 P1 C11 110.89(9) . . ?
O11 P1 C11 113.04(9) . . ?
C110 P1 C11 95.27(10) . . ?
P1 O11 H1 110.0(19) . . ?
P1 O12 H2 118(2) . . ?
C16 C11 C12 121.8(2) . . ?
C16 C11 P1 131.41(16) . . ?
C12 C11 P1 106.79(16) . . ?
C13 C12 C11 120.1(2) . . ?
C13 C12 C19 126.6(2) . . ?
C11 C12 C19 113.26(19) . . ?
C12 C13 C14 118.7(2) . . ?
C12 C13 H13 120.7 . . ?
C14 C13 H13 120.7 . . ?
C15 C14 C13 120.9(2) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C14 C15 C16 121.9(2) . . ?
C14 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
C11 C16 C15 116.59(19) . . ?
C11 C16 C17 121.45(19) . . ?
C15 C16 C17 121.93(19) . . ?
C18 C17 C16 126.0(2) . . ?
C18 C17 H17 117.0 . . ?
C16 C17 H17 117.0 . . ?
C17 C18 Si11 128.66(18) . . ?
C17 C18 H18 115.7 . . ?
Si11 C18 H18 115.7 . . ?
C110 C19 C12 117.32(19) . . ?
C110 C19 H19 121.3 . . ?
C12 C19 H19 121.3 . . ?
C19 C110 P1 107.07(16) . . ?
C19 C110 Si12 127.12(17) . . ?
P1 C110 Si12 125.81(12) . . ?
C118 Si11 C18 112.64(11) . . ?
C118 Si11 C117 110.07(12) . . ?
C18 Si11 C117 110.78(11) . . ?
C118 Si11 C111 109.43(10) . . ?
C18 Si11 C111 104.98(10) . . ?
C117 Si11 C111 108.78(11) . . ?
C116 C111 C112 117.5(2) . . ?
C116 C111 Si11 123.36(17) . . ?
C112 C111 Si11 119.15(17) . . ?
C113 C112 C111 121.5(2) . . ?
C113 C112 H112 119.3 . . ?
C111 C112 H112 119.3 . . ?
C114 C113 C112 119.8(2) . . ?
C114 C113 H113 120.1 . . ?
C112 C113 H113 120.1 . . ?
C113 C114 C115 120.1(2) . . ?
C113 C114 H114 119.9 . . ?
C115 C114 H114 119.9 . . ?
C114 C115 C116 120.1(2) . . ?
C114 C115 H115 120.0 . . ?
C116 C115 H115 120.0 . . ?
C115 C116 C111 121.1(2) . . ?
C115 C116 H116 119.5 . . ?
C111 C116 H116 119.5 . . ?
Si11 C117 H11A 109.5 . . ?
Si11 C117 H11B 109.5 . . ?
H11A C117 H11B 109.5 . . ?
Si11 C117 H11C 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
Si11 C118 H11D 109.5 . . ?
Si11 C118 H11E 109.5 . . ?
H11D C118 H11E 109.5 . . ?
Si11 C118 H11F 109.5 . . ?
H11D C118 H11F 109.5 . . ?
H11E C118 H11F 109.5 . . ?
C127 Si12 C128 110.81(13) . . ?
C127 Si12 C110 108.44(11) . . ?
C128 Si12 C110 108.76(11) . . ?
C127 Si12 C121 109.97(12) . . ?
C128 Si12 C121 110.83(12) . . ?
C110 Si12 C121 107.96(10) . . ?
C122 C121 C126 116.9(2) . . ?
C122 C121 Si12 121.71(18) . . ?
C126 C121 Si12 121.41(19) . . ?
C123 C122 C121 122.1(2) . . ?
C123 C122 H122 119.0 . . ?
C121 C122 H122 119.0 . . ?
C124 C123 C122 119.7(3) . . ?
C124 C123 H123 120.2 . . ?
C122 C123 H123 120.2 . . ?
C125 C124 C123 120.0(2) . . ?
C125 C124 H124 120.0 . . ?
C123 C124 H124 120.0 . . ?
C124 C125 C126 120.1(2) . . ?
C124 C125 H125 120.0 . . ?
C126 C125 H125 120.0 . . ?
C125 C126 C121 121.3(2) . . ?
C125 C126 H126 119.3 . . ?
C121 C126 H126 119.3 . . ?
Si12 C127 H12A 109.5 . . ?
Si12 C127 H12B 109.5 . . ?
H12A C127 H12B 109.5 . . ?
Si12 C127 H12C 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
Si12 C128 H12D 109.5 . . ?
Si12 C128 H12E 109.5 . . ?
H12D C128 H12E 109.5 . . ?
Si12 C128 H12F 109.5 . . ?
H12D C128 H12F 109.5 . . ?
H12E C128 H12F 109.5 . . ?
O22 P2 O21 112.85(9) . . ?
O22 P2 C210 111.49(10) . . ?
O21 P2 C210 111.64(10) . . ?
O22 P2 C21 111.49(9) . . ?
O21 P2 C21 113.20(9) . . ?
C210 P2 C21 94.91(10) . . ?
P2 O21 H2 111(2) . . ?
P2 O22 H1 116(2) . . ?
C26 C21 C22 121.79(19) . . ?
C26 C21 P2 131.16(16) . . ?
C22 C21 P2 107.04(15) . . ?
C23 C22 C21 120.3(2) . . ?
C23 C22 C29 126.5(2) . . ?
C21 C22 C29 113.18(19) . . ?
C22 C23 C24 118.7(2) . . ?
C22 C23 H23 120.7 . . ?
C24 C23 H23 120.7 . . ?
C25 C24 C23 121.1(2) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 C26 121.6(2) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
C21 C26 C25 116.58(19) . . ?
C21 C26 C27 121.35(19) . . ?
C25 C26 C27 122.06(19) . . ?
C28 C27 C26 127.0(2) . . ?
C28 C27 H27 116.5 . . ?
C26 C27 H27 116.5 . . ?
C27 C28 Si21 126.40(18) . . ?
C27 C28 H28 116.8 . . ?
Si21 C28 H28 116.8 . . ?
C210 C29 C22 117.31(19) . . ?
C210 C29 H29 121.3 . . ?
C22 C29 H29 121.3 . . ?
C29 C210 P2 107.34(16) . . ?
C29 C210 Si22 126.82(17) . . ?
P2 C210 Si22 125.84(12) . . ?
C218 Si21 C217 110.85(12) . . ?
C218 Si21 C28 110.62(11) . . ?
C217 Si21 C28 111.26(11) . . ?
C218 Si21 C211 108.81(11) . . ?
C217 Si21 C211 109.34(11) . . ?
C28 Si21 C211 105.78(10) . . ?
C212 C211 C216 117.1(2) . . ?
C212 C211 Si21 118.70(17) . . ?
C216 C211 Si21 124.22(19) . . ?
C213 C212 C211 122.2(2) . . ?
C213 C212 H212 118.9 . . ?
C211 C212 H212 118.9 . . ?
C214 C213 C212 119.5(3) . . ?
C214 C213 H213 120.2 . . ?
C212 C213 H213 120.2 . . ?
C213 C214 C215 120.1(2) . . ?
C213 C214 H214 119.9 . . ?
C215 C214 H214 119.9 . . ?
C214 C215 C216 120.1(2) . . ?
C214 C215 H215 120.0 . . ?
C216 C215 H215 120.0 . . ?
C215 C216 C211 121.0(2) . . ?
C215 C216 H216 119.5 . . ?
C211 C216 H216 119.5 . . ?
Si21 C217 H21A 109.5 . . ?
Si21 C217 H21B 109.5 . . ?
H21A C217 H21B 109.5 . . ?
Si21 C217 H21C 109.5 . . ?
H21A C217 H21C 109.5 . . ?
H21B C217 H21C 109.5 . . ?
Si21 C218 H21D 109.5 . . ?
Si21 C218 H21E 109.5 . . ?
H21D C218 H21E 109.5 . . ?
Si21 C218 H21F 109.5 . . ?
H21D C218 H21F 109.5 . . ?
H21E C218 H21F 109.5 . . ?
C227 Si22 C228 109.36(13) . . ?
C227 Si22 C210 110.58(11) . . ?
C228 Si22 C210 108.89(11) . . ?
C227 Si22 C221 110.04(11) . . ?
C228 Si22 C221 110.37(11) . . ?
C210 Si22 C221 107.59(10) . . ?
C222 C221 C226 117.4(2) . . ?
C222 C221 Si22 121.75(17) . . ?
C226 C221 Si22 120.83(17) . . ?
C223 C222 C221 121.4(2) . . ?
C223 C222 H222 119.3 . . ?
C221 C222 H222 119.3 . . ?
C224 C223 C222 119.9(2) . . ?
C224 C223 H223 120.1 . . ?
C222 C223 H223 120.1 . . ?
C225 C224 C223 120.2(2) . . ?
C225 C224 H224 119.9 . . ?
C223 C224 H224 119.9 . . ?
C224 C225 C226 119.9(2) . . ?
C224 C225 H225 120.1 . . ?
C226 C225 H225 120.1 . . ?
C225 C226 C221 121.2(2) . . ?
C225 C226 H226 119.4 . . ?
C221 C226 H226 119.4 . . ?
Si22 C227 H22A 109.5 . . ?
Si22 C227 H22B 109.5 . . ?
H22A C227 H22B 109.5 . . ?
Si22 C227 H22C 109.5 . . ?
H22A C227 H22C 109.5 . . ?
H22B C227 H22C 109.5 . . ?
Si22 C228 H22D 109.5 . . ?
Si22 C228 H22E 109.5 . . ?
H22D C228 H22E 109.5 . . ?
Si22 C228 H22F 109.5 . . ?
H22D C228 H22F 109.5 . . ?
H22E C228 H22F 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
O12 P1 C11 C16 -68.5(2) . . . . ?
O11 P1 C11 C16 59.6(2) . . . . ?
C110 P1 C11 C16 174.9(2) . . . . ?
O12 P1 C11 C12 111.79(15) . . . . ?
O11 P1 C11 C12 -120.13(15) . . . . ?
C110 P1 C11 C12 -4.76(16) . . . . ?
C16 C11 C12 C13 1.9(3) . . . . ?
P1 C11 C12 C13 -178.41(17) . . . . ?
C16 C11 C12 C19 -176.53(19) . . . . ?
P1 C11 C12 C19 3.2(2) . . . . ?
C11 C12 C13 C14 -0.9(3) . . . . ?
C19 C12 C13 C14 177.3(2) . . . . ?
C12 C13 C14 C15 -0.8(3) . . . . ?
C13 C14 C15 C16 1.6(3) . . . . ?
C12 C11 C16 C15 -1.1(3) . . . . ?
P1 C11 C16 C15 179.25(17) . . . . ?
C12 C11 C16 C17 177.10(19) . . . . ?
P1 C11 C16 C17 -2.6(3) . . . . ?
C14 C15 C16 C11 -0.6(3) . . . . ?
C14 C15 C16 C17 -178.8(2) . . . . ?
C11 C16 C17 C18 179.3(2) . . . . ?
C15 C16 C17 C18 -2.7(3) . . . . ?
C16 C17 C18 Si11 171.52(17) . . . . ?
C13 C12 C19 C110 -177.6(2) . . . . ?
C11 C12 C19 C110 0.7(3) . . . . ?
C12 C19 C110 P1 -4.2(2) . . . . ?
C12 C19 C110 Si12 176.44(16) . . . . ?
O12 P1 C110 C19 -110.10(16) . . . . ?
O11 P1 C110 C19 122.23(16) . . . . ?
C11 P1 C110 C19 5.11(17) . . . . ?
O12 P1 C110 Si12 69.31(17) . . . . ?
O11 P1 C110 Si12 -58.36(16) . . . . ?
C11 P1 C110 Si12 -175.48(14) . . . . ?
C17 C18 Si11 C118 10.8(2) . . . . ?
C17 C18 Si11 C117 134.6(2) . . . . ?
C17 C18 Si11 C111 -108.2(2) . . . . ?
C118 Si11 C111 C116 112.7(2) . . . . ?
C18 Si11 C111 C116 -126.2(2) . . . . ?
C117 Si11 C111 C116 -7.6(2) . . . . ?
C118 Si11 C111 C112 -65.1(2) . . . . ?
C18 Si11 C111 C112 56.0(2) . . . . ?
C117 Si11 C111 C112 174.58(17) . . . . ?
C116 C111 C112 C113 -0.4(3) . . . . ?
Si11 C111 C112 C113 177.55(18) . . . . ?
C111 C112 C113 C114 -0.1(4) . . . . ?
C112 C113 C114 C115 0.5(4) . . . . ?
C113 C114 C115 C116 -0.5(4) . . . . ?
C114 C115 C116 C111 0.0(4) . . . . ?
C112 C111 C116 C115 0.4(3) . . . . ?
Si11 C111 C116 C115 -177.45(18) . . . . ?
C19 C110 Si12 C127 -94.9(2) . . . . ?
P1 C110 Si12 C127 85.78(17) . . . . ?
C19 C110 Si12 C128 144.5(2) . . . . ?
P1 C110 Si12 C128 -34.79(19) . . . . ?
C19 C110 Si12 C121 24.2(2) . . . . ?
P1 C110 Si12 C121 -155.11(14) . . . . ?
C127 Si12 C121 C122 -142.4(2) . . . . ?
C128 Si12 C121 C122 -19.6(3) . . . . ?
C110 Si12 C121 C122 99.5(2) . . . . ?
C127 Si12 C121 C126 38.6(2) . . . . ?
C128 Si12 C121 C126 161.5(2) . . . . ?
C110 Si12 C121 C126 -79.5(2) . . . . ?
C126 C121 C122 C123 0.2(4) . . . . ?
Si12 C121 C122 C123 -178.8(2) . . . . ?
C121 C122 C123 C124 -0.7(5) . . . . ?
C122 C123 C124 C125 0.5(4) . . . . ?
C123 C124 C125 C126 0.2(4) . . . . ?
C124 C125 C126 C121 -0.8(4) . . . . ?
C122 C121 C126 C125 0.6(4) . . . . ?
Si12 C121 C126 C125 179.59(18) . . . . ?
O22 P2 C21 C26 -68.9(2) . . . . ?
O21 P2 C21 C26 59.6(2) . . . . ?
C210 P2 C21 C26 175.7(2) . . . . ?
O22 P2 C21 C22 111.60(15) . . . . ?
O21 P2 C21 C22 -119.87(15) . . . . ?
C210 P2 C21 C22 -3.80(16) . . . . ?
C26 C21 C22 C23 0.9(3) . . . . ?
P2 C21 C22 C23 -179.59(17) . . . . ?
C26 C21 C22 C29 -177.18(19) . . . . ?
P2 C21 C22 C29 2.4(2) . . . . ?
C21 C22 C23 C24 -0.4(3) . . . . ?
C29 C22 C23 C24 177.4(2) . . . . ?
C22 C23 C24 C25 -0.5(3) . . . . ?
C23 C24 C25 C26 0.9(3) . . . . ?
C22 C21 C26 C25 -0.4(3) . . . . ?
P2 C21 C26 C25 -179.89(16) . . . . ?
C22 C21 C26 C27 178.45(19) . . . . ?
P2 C21 C26 C27 -1.0(3) . . . . ?
C24 C25 C26 C21 -0.4(3) . . . . ?
C24 C25 C26 C27 -179.3(2) . . . . ?
C21 C26 C27 C28 173.6(2) . . . . ?
C25 C26 C27 C28 -7.5(3) . . . . ?
C26 C27 C28 Si21 172.54(17) . . . . ?
C23 C22 C29 C210 -177.0(2) . . . . ?
C21 C22 C29 C210 0.9(3) . . . . ?
C22 C29 C210 P2 -3.7(2) . . . . ?
C22 C29 C210 Si22 176.66(16) . . . . ?
O22 P2 C210 C29 -111.11(16) . . . . ?
O21 P2 C210 C29 121.64(16) . . . . ?
C21 P2 C210 C29 4.29(17) . . . . ?
O22 P2 C210 Si22 68.52(16) . . . . ?
O21 P2 C210 Si22 -58.73(16) . . . . ?
C21 P2 C210 Si22 -176.07(14) . . . . ?
C27 C28 Si21 C218 6.1(2) . . . . ?
C27 C28 Si21 C217 129.8(2) . . . . ?
C27 C28 Si21 C211 -111.5(2) . . . . ?
C218 Si21 C211 C212 -59.2(2) . . . . ?
C217 Si21 C211 C212 179.62(18) . . . . ?
C28 Si21 C211 C212 59.7(2) . . . . ?
C218 Si21 C211 C216 119.0(2) . . . . ?
C217 Si21 C211 C216 -2.2(2) . . . . ?
C28 Si21 C211 C216 -122.1(2) . . . . ?
C216 C211 C212 C213 -1.1(4) . . . . ?
Si21 C211 C212 C213 177.20(19) . . . . ?
C211 C212 C213 C214 0.5(4) . . . . ?
C212 C213 C214 C215 0.4(4) . . . . ?
C213 C214 C215 C216 -0.7(4) . . . . ?
C214 C215 C216 C211 0.1(4) . . . . ?
C212 C211 C216 C215 0.8(4) . . . . ?
Si21 C211 C216 C215 -177.43(19) . . . . ?
C29 C210 Si22 C227 138.7(2) . . . . ?
P2 C210 Si22 C227 -40.85(18) . . . . ?
C29 C210 Si22 C228 -101.1(2) . . . . ?
P2 C210 Si22 C228 79.33(17) . . . . ?
C29 C210 Si22 C221 18.5(2) . . . . ?
P2 C210 Si22 C221 -161.05(14) . . . . ?
C227 Si22 C221 C222 147.66(19) . . . . ?
C228 Si22 C221 C222 26.9(2) . . . . ?
C210 Si22 C221 C222 -91.80(19) . . . . ?
C227 Si22 C221 C226 -30.4(2) . . . . ?
C228 Si22 C221 C226 -151.23(18) . . . . ?
C210 Si22 C221 C226 90.09(19) . . . . ?
C226 C221 C222 C223 1.6(3) . . . . ?
Si22 C221 C222 C223 -176.52(17) . . . . ?
C221 C222 C223 C224 -0.4(3) . . . . ?
C222 C223 C224 C225 -1.1(3) . . . . ?
C223 C224 C225 C226 1.1(3) . . . . ?
C224 C225 C226 C221 0.2(3) . . . . ?
C222 C221 C226 C225 -1.6(3) . . . . ?
Si22 C221 C226 C225 176.60(17) . . . . ?

_refine_diff_density_max         0.953
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.080



