# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_PB(LiCCSiMe3)
_database_code_depnum_ccdc_archive 'CCDC 2337934'
loop_
_audit_author_name
_audit_author_address
'Michael J. Ferguson'
;University of Alberta
Canada
;
_audit_update_record             
;
2024-03-05 deposited with the CCDC.	2024-04-01 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT220_PBLiCCSiMe3         
;
PROBLEM: NonSolvent Resd 1 C Ueq(max)/Ueq(min) Range 6.4 Ratio
RESPONSE: The molecule contains one molecule of coordinated
diethyl ether which is significantly disordered. Attempts to
resolve the disorder by refinement over multiple positions was
unsuccessful. ISOR, EADP, RIGU and DFIX restraints were placed 
on the ether moiety.
;
# end Validation Reply Form
_audit_creation_date             2024-03-04
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H59 B Li O P Si'
_chemical_formula_sum            'C33 H59 B Li O P Si'
_chemical_formula_weight         548.61
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   9.528(2)
_cell_length_b                   20.445(5)
_cell_length_c                   17.796(5)
_cell_angle_alpha                90
_cell_angle_beta                 98.843(3)
_cell_angle_gamma                90
_cell_volume                     3425.2(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3522
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      18.965
_cell_measurement_theta_min      2.292
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.965
_exptl_absorpt_coefficient_mu    0.138
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.683673
_exptl_absorpt_correction_T_max  0.861965
_exptl_absorpt_process_details   
;
 TWINABS 2012/1: Bruker AXS Inc., Madison, Wisconsin, USA
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.064
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1208
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 -1.00 0.00 0.0180
0.00 1.00 0.00 0.0250
0.00 0.00 -1.00 0.0690
0.00 0.00 1.00 0.0940
1.00 0.00 0.00 0.1260
-1.00 0.00 1.00 0.0850
-1.00 0.00 0.00 0.1080
1.00 0.00 -1.00 0.1370

_exptl_crystal_size_max          0.258
_exptl_crystal_size_mid          0.198
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1474
_diffrn_reflns_av_unetI/netI     0.0762
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6303
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.401
_diffrn_reflns_theta_min         1.527
_diffrn_ambient_temperature      193.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  'Graphite flat monochromator (002)'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3670
_reflns_number_total             6303
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.676
_refine_diff_density_min         -0.456
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6303
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.1458
_refine_ls_R_factor_gt           0.0875
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1443P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2221
_refine_ls_wR_factor_ref         0.2581
_refine_special_details          Twin
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C32-C33 = C30-C31
 1.5 with sigma of 0.01
 C19-C24B \\sim C24B-C24A \\sim C19-C20
 with sigma of 0.02
 C20-C21B \\sim C21B-C21A \\sim C24B-C23B \\sim C24A-C23A
 with sigma of 0.02
 C23B-C22B \\sim C23A-C22A \\sim C21A-C22A \\sim C21B-C22B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C33) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C32)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C31) = Uanis(C33)
4. Rigid body (RIGU) restrains
 C31, C30, C32, C33
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(H19A)=Sof(H20C)=Sof(H20D)=Sof(C24B)=Sof(H24C)=Sof(H24D)=Sof(C23B)=
 Sof(H23C)=Sof(H23D)=Sof(C22B)=Sof(H22C)=Sof(H22D)=Sof(C21B)=Sof(H21C)=
 Sof(H21D)=1-FVAR(1)
 Sof(H19)=Sof(C24A)=Sof(H24A)=Sof(H24B)=Sof(C23A)=Sof(H23A)=Sof(H23B)=
 Sof(C22A)=Sof(H22A)=Sof(H22B)=Sof(C21A)=Sof(H21A)=Sof(H21B)=Sof(H20A)=
 Sof(H20B)=FVAR(1)
6.a Ternary CH refined with riding coordinates:
 C10(H10), C7(H7), C19(H19), C19(H19A), C13(H13)
6.b Secondary CH2 refined with riding coordinates:
 C24A(H24A,H24B), C23A(H23A,H23B), C22A(H22A,H22B), C21A(H21A,H21B), C20(H20A,
 H20B), C20(H20C,H20D), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B),
 C17(H17A,H17B), C18(H18A,H18B), C32(H32A,H32B), C30(H30A,H30B), C24B(H24C,
 H24D), C23B(H23C,H23D), C22B(H22C,H22D), C21B(H21C,H21D)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6)
6.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C11(H11A,H11B,H11C), C9(H9A,H9B,H9C), C8(H8A,H8B,H8C),
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C33(H33A,H33B,
 H33C), C31(H31A,H31B,H31C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.86224(11) 0.60956(6) 0.19052(6) 0.0482(3) Uani 1 1 d . . . . .
Si1 Si 0.53081(14) 0.79488(6) 0.27279(8) 0.0538(4) Uani 1 1 d . . . . .
C1 C 0.8951(4) 0.55719(19) 0.2749(2) 0.0406(9) Uani 1 1 d . . . . .
C2 C 0.7932(4) 0.54763(18) 0.3236(2) 0.0387(9) Uani 1 1 d . . . . .
C3 C 0.8384(4) 0.50629(19) 0.3859(2) 0.0455(10) Uani 1 1 d . . . . .
H3 H 0.774088 0.498082 0.420674 0.055 Uiso 1 1 calc R U . . .
C4 C 0.9696(5) 0.4771(2) 0.3997(2) 0.0505(11) Uani 1 1 d . . . . .
H4 H 0.992649 0.448916 0.442231 0.061 Uiso 1 1 calc R U . . .
C5 C 1.0666(5) 0.4884(2) 0.3526(2) 0.0493(10) Uani 1 1 d . . . . .
H5 H 1.158782 0.469635 0.362823 0.059 Uiso 1 1 calc R U . . .
C6 C 1.0291(4) 0.5273(2) 0.2905(2) 0.0492(10) Uani 1 1 d . . . . .
H6 H 1.095771 0.534441 0.256790 0.059 Uiso 1 1 calc R U . . .
C10 C 0.9212(6) 0.5566(3) 0.1154(3) 0.0731(16) Uani 1 1 d . . . . .
H10 H 1.018289 0.539418 0.134710 0.088 Uiso 1 1 calc R U . . .
C12 C 0.8187(8) 0.4987(3) 0.0995(3) 0.098(2) Uani 1 1 d . . . . .
H12A H 0.815630 0.474531 0.146752 0.147 Uiso 1 1 calc R U . . .
H12B H 0.851508 0.469610 0.061985 0.147 Uiso 1 1 calc R U . . .
H12C H 0.723454 0.514916 0.079529 0.147 Uiso 1 1 calc R U . . .
C11 C 0.9270(8) 0.5943(3) 0.0429(3) 0.105(2) Uani 1 1 d . . . . .
H11A H 0.998444 0.628947 0.052593 0.158 Uiso 1 1 calc R U . . .
H11B H 0.833799 0.613741 0.025065 0.158 Uiso 1 1 calc R U . . .
H11C H 0.952365 0.564516 0.003928 0.158 Uiso 1 1 calc R U . . .
C7 C 1.0044(5) 0.6721(3) 0.2099(3) 0.0685(14) Uani 1 1 d . . . . .
H7 H 1.095142 0.652752 0.198388 0.082 Uiso 1 1 calc R U . . .
C9 C 1.0265(6) 0.6938(3) 0.2912(3) 0.0864(18) Uani 1 1 d . . . . .
H9A H 0.936271 0.709289 0.304639 0.130 Uiso 1 1 calc R U . . .
H9B H 1.096314 0.729352 0.298129 0.130 Uiso 1 1 calc R U . . .
H9C H 1.061496 0.656952 0.324061 0.130 Uiso 1 1 calc R U . . .
C8 C 0.9677(6) 0.7321(3) 0.1585(4) 0.097(2) Uani 1 1 d . . . . .
H8A H 0.952812 0.718299 0.105159 0.145 Uiso 1 1 calc R U . . .
H8B H 1.045999 0.763596 0.167129 0.145 Uiso 1 1 calc R U . . .
H8C H 0.880825 0.752539 0.170573 0.145 Uiso 1 1 calc R U . . .
C19 C 0.5401(4) 0.53090(19) 0.2419(2) 0.0438(10) Uani 1 1 d D . . . .
H19 H 0.607873 0.523912 0.204911 0.053 Uiso 0.897(7) 1 calc R U P A 1
H19A H 0.443794 0.551502 0.234953 0.053 Uiso 0.103(7) 1 calc R U P A 2
C24A C 0.4061(5) 0.5584(2) 0.1947(2) 0.0466(13) Uani 0.897(7) 1 d D . P A 1
H24A H 0.332686 0.564790 0.227755 0.056 Uiso 0.897(7) 1 calc R U P A 1
H24B H 0.427707 0.601703 0.174184 0.056 Uiso 0.897(7) 1 calc R U P A 1
C23A C 0.3483(5) 0.5134(3) 0.1291(3) 0.0552(14) Uani 0.897(7) 1 d D . P A 1
H23A H 0.259031 0.531875 0.101459 0.066 Uiso 0.897(7) 1 calc R U P A 1
H23B H 0.417722 0.510521 0.093165 0.066 Uiso 0.897(7) 1 calc R U P A 1
C22A C 0.3202(5) 0.4458(3) 0.1576(3) 0.0634(16) Uani 0.897(7) 1 d D . P A 1
H22A H 0.242717 0.448050 0.188744 0.076 Uiso 0.897(7) 1 calc R U P A 1
H22B H 0.288606 0.416807 0.113661 0.076 Uiso 0.897(7) 1 calc R U P A 1
C21A C 0.4508(6) 0.4170(3) 0.2047(4) 0.0629(16) Uani 0.897(7) 1 d D . P A 1
H21A H 0.524565 0.409632 0.172017 0.075 Uiso 0.897(7) 1 calc R U P A 1
H21B H 0.426713 0.374163 0.225337 0.075 Uiso 0.897(7) 1 calc R U P A 1
C20 C 0.5086(5) 0.46232(19) 0.2698(2) 0.0537(11) Uani 1 1 d D . . . .
H20A H 0.596976 0.443386 0.298030 0.064 Uiso 0.897(7) 1 calc R U P A 1
H20B H 0.438599 0.465680 0.305381 0.064 Uiso 0.897(7) 1 calc R U P A 1
H20C H 0.490707 0.466219 0.322987 0.064 Uiso 0.103(7) 1 calc R U P A 2
H20D H 0.595362 0.435475 0.270710 0.064 Uiso 0.103(7) 1 calc R U P A 2
C13 C 0.5609(4) 0.57671(18) 0.3912(2) 0.0370(9) Uani 1 1 d . . . . .
H13 H 0.568424 0.530809 0.410790 0.044 Uiso 1 1 calc R U . . .
C14 C 0.4035(4) 0.5954(2) 0.3830(2) 0.0444(10) Uani 1 1 d . . . . .
H14A H 0.390964 0.640336 0.362272 0.053 Uiso 1 1 calc R U . . .
H14B H 0.347658 0.565444 0.346196 0.053 Uiso 1 1 calc R U . . .
C15 C 0.3457(5) 0.5923(2) 0.4586(2) 0.0534(11) Uani 1 1 d . . . . .
H15A H 0.245277 0.606694 0.450520 0.064 Uiso 1 1 calc R U . . .
H15B H 0.348838 0.546524 0.476828 0.064 Uiso 1 1 calc R U . . .
C16 C 0.4306(5) 0.6352(2) 0.5186(2) 0.0578(12) Uani 1 1 d . . . . .
H16A H 0.394187 0.629841 0.567420 0.069 Uiso 1 1 calc R U . . .
H16B H 0.418948 0.681612 0.503120 0.069 Uiso 1 1 calc R U . . .
C17 C 0.5872(5) 0.6170(2) 0.5292(2) 0.0557(11) Uani 1 1 d . . . . .
H17A H 0.600087 0.572353 0.550544 0.067 Uiso 1 1 calc R U . . .
H17B H 0.641811 0.647660 0.565648 0.067 Uiso 1 1 calc R U . . .
C18 C 0.6437(4) 0.6198(2) 0.4538(2) 0.0461(10) Uani 1 1 d . . . . .
H18A H 0.744444 0.605850 0.462202 0.055 Uiso 1 1 calc R U . . .
H18B H 0.640494 0.665687 0.435829 0.055 Uiso 1 1 calc R U . . .
C25 C 0.6176(4) 0.6532(2) 0.2871(2) 0.0426(9) Uani 1 1 d . . . . .
C26 C 0.5903(4) 0.7099(2) 0.2733(2) 0.0462(10) Uani 1 1 d . . . . .
C27 C 0.4914(8) 0.8126(3) 0.3684(3) 0.104(2) Uani 1 1 d . . . . .
H27A H 0.408439 0.787117 0.377447 0.156 Uiso 1 1 calc R U . . .
H27B H 0.471341 0.859312 0.372608 0.156 Uiso 1 1 calc R U . . .
H27C H 0.573372 0.800679 0.406225 0.156 Uiso 1 1 calc R U . . .
C28 C 0.3650(6) 0.8035(3) 0.2040(3) 0.0814(16) Uani 1 1 d . . . . .
H28A H 0.385631 0.796849 0.152280 0.122 Uiso 1 1 calc R U . . .
H28B H 0.325676 0.847401 0.208239 0.122 Uiso 1 1 calc R U . . .
H28C H 0.295832 0.770770 0.215121 0.122 Uiso 1 1 calc R U . . .
C29 C 0.6696(6) 0.8500(2) 0.2477(3) 0.0790(16) Uani 1 1 d . . . . .
H29A H 0.635917 0.895342 0.247350 0.118 Uiso 1 1 calc R U . . .
H29B H 0.690760 0.838605 0.197123 0.118 Uiso 1 1 calc R U . . .
H29C H 0.755757 0.845455 0.285194 0.118 Uiso 1 1 calc R U . . .
B1 B 0.6281(5) 0.5765(2) 0.3106(2) 0.0382(10) Uani 1 1 d . . . . .
Li1 Li 0.6237(8) 0.6619(4) 0.1630(4) 0.063(2) Uani 1 1 d . . . . .
C32 C 0.4579(13) 0.6553(6) 0.0069(7) 0.190(4) Uani 1 1 d D U . . .
H32A H 0.469528 0.668844 -0.045167 0.228 Uiso 1 1 calc R U . . .
H32B H 0.473237 0.607659 0.013614 0.228 Uiso 1 1 calc R U . . .
C33 C 0.3276(14) 0.6772(7) 0.0287(8) 0.238(4) Uani 1 1 d D U . . .
H33A H 0.249369 0.649856 0.003958 0.357 Uiso 1 1 calc R U . . .
H33B H 0.310616 0.722791 0.013010 0.357 Uiso 1 1 calc R U . . .
H33C H 0.333478 0.673836 0.084011 0.357 Uiso 1 1 calc R U . . .
O1 O 0.5441(4) 0.69493(19) 0.0672(2) 0.0814(11) Uani 1 1 d . . . . .
C30 C 0.6044(8) 0.7482(4) 0.0297(5) 0.118(2) Uani 1 1 d D U . . .
H30A H 0.679209 0.769156 0.066698 0.141 Uiso 1 1 calc R U . . .
H30B H 0.650727 0.730032 -0.011826 0.141 Uiso 1 1 calc R U . . .
C31 C 0.5051(13) 0.7977(6) -0.0016(8) 0.238(4) Uani 1 1 d D U . . .
H31A H 0.550436 0.826675 -0.034531 0.357 Uiso 1 1 calc R U . . .
H31B H 0.475186 0.823178 0.039812 0.357 Uiso 1 1 calc R U . . .
H31C H 0.421949 0.776843 -0.031354 0.357 Uiso 1 1 calc R U . . .
C24B C 0.554(4) 0.512(2) 0.1623(14) 0.073(15) Uiso 0.103(7) 1 d D . P A 2
H24C H 0.636973 0.482812 0.164749 0.088 Uiso 0.103(7) 1 calc R U P A 2
H24D H 0.575990 0.552279 0.135483 0.088 Uiso 0.103(7) 1 calc R U P A 2
C23B C 0.429(4) 0.4785(16) 0.113(2) 0.048(11) Uiso 0.103(7) 1 d D . P A 2
H23C H 0.342430 0.505610 0.111543 0.058 Uiso 0.103(7) 1 calc R U P A 2
H23D H 0.449485 0.474539 0.060177 0.058 Uiso 0.103(7) 1 calc R U P A 2
C22B C 0.402(6) 0.4112(17) 0.143(2) 0.068(14) Uiso 0.103(7) 1 d D . P A 2
H22C H 0.315226 0.391451 0.114312 0.082 Uiso 0.103(7) 1 calc R U P A 2
H22D H 0.483612 0.381761 0.140603 0.082 Uiso 0.103(7) 1 calc R U P A 2
C21B C 0.384(4) 0.425(2) 0.225(2) 0.057(14) Uiso 0.103(7) 1 d D . P A 2
H21C H 0.372542 0.382533 0.250379 0.069 Uiso 0.103(7) 1 calc R U P A 2
H21D H 0.295565 0.450207 0.224839 0.069 Uiso 0.103(7) 1 calc R U P A 2


_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 1.832(4) . ?
P1 C10 1.873(5) . ?
P1 C7 1.856(5) . ?
P1 Li1 2.492(7) . ?
Si1 C26 1.827(4) . ?
Si1 C27 1.834(6) . ?
Si1 C28 1.852(5) . ?
Si1 C29 1.844(5) . ?
C1 C2 1.411(5) . ?
C1 C6 1.404(5) . ?
C2 C3 1.408(5) . ?
C2 B1 1.663(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.372(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.359(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.364(6) . ?
C6 H6 0.9500 . ?
C10 H10 1.0000 . ?
C10 C12 1.534(8) . ?
C10 C11 1.510(7) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C7 H7 1.0000 . ?
C7 C9 1.496(7) . ?
C7 C8 1.537(7) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C19 H19 1.0000 . ?
C19 H19A 1.0000 . ?
C19 C24A 1.524(6) . ?
C19 C20 1.533(6) . ?
C19 B1 1.660(6) . ?
C19 C24B 1.491(19) . ?
C24A H24A 0.9900 . ?
C24A H24B 0.9900 . ?
C24A C23A 1.521(6) . ?
C23A H23A 0.9900 . ?
C23A H23B 0.9900 . ?
C23A C22A 1.511(7) . ?
C22A H22A 0.9900 . ?
C22A H22B 0.9900 . ?
C22A C21A 1.508(7) . ?
C21A H21A 0.9900 . ?
C21A H21B 0.9900 . ?
C21A C20 1.520(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 H20C 0.9900 . ?
C20 H20D 0.9900 . ?
C20 C21B 1.54(2) . ?
C13 H13 1.0000 . ?
C13 C14 1.533(5) . ?
C13 C18 1.539(5) . ?
C13 B1 1.657(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.531(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.515(6) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.521(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.522(6) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C25 C26 1.205(5) . ?
C25 B1 1.622(6) . ?
C25 Li1 2.226(8) . ?
C26 Li1 2.261(9) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
Li1 O1 1.881(8) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.427(9) . ?
C32 O1 1.487(12) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
O1 C30 1.442(7) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.437(8) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C24B H24C 0.9900 . ?
C24B H24D 0.9900 . ?
C24B C23B 1.53(2) . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
C23B C22B 1.513(17) . ?
C22B H22C 0.9900 . ?
C22B H22D 0.9900 . ?
C22B C21B 1.512(17) . ?
C21B H21C 0.9900 . ?
C21B H21D 0.9900 . ?

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 102.5(2) . . ?
C1 P1 C7 102.85(19) . . ?
C1 P1 Li1 116.6(2) . . ?
C10 P1 Li1 118.2(2) . . ?
C7 P1 C10 103.9(3) . . ?
C7 P1 Li1 111.0(3) . . ?
C26 Si1 C27 106.9(2) . . ?
C26 Si1 C28 109.0(2) . . ?
C26 Si1 C29 110.4(2) . . ?
C27 Si1 C28 108.6(3) . . ?
C27 Si1 C29 111.2(3) . . ?
C29 Si1 C28 110.6(3) . . ?
C2 C1 P1 122.5(3) . . ?
C6 C1 P1 116.9(3) . . ?
C6 C1 C2 120.6(4) . . ?
C1 C2 B1 126.2(3) . . ?
C3 C2 C1 114.3(3) . . ?
C3 C2 B1 119.4(3) . . ?
C2 C3 H3 117.9 . . ?
C4 C3 C2 124.1(4) . . ?
C4 C3 H3 117.9 . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.2(4) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 120.7 . . ?
C4 C5 C6 118.7(4) . . ?
C6 C5 H5 120.7 . . ?
C1 C6 H6 119.0 . . ?
C5 C6 C1 122.1(4) . . ?
C5 C6 H6 119.0 . . ?
P1 C10 H10 108.7 . . ?
C12 C10 P1 109.0(3) . . ?
C12 C10 H10 108.7 . . ?
C11 C10 P1 111.7(4) . . ?
C11 C10 H10 108.7 . . ?
C11 C10 C12 110.0(5) . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P1 C7 H7 108.6 . . ?
C9 C7 P1 112.0(3) . . ?
C9 C7 H7 108.6 . . ?
C9 C7 C8 108.9(5) . . ?
C8 C7 P1 110.2(4) . . ?
C8 C7 H7 108.6 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C24A C19 H19 105.1 . . ?
C24A C19 C20 109.1(3) . . ?
C24A C19 B1 118.9(3) . . ?
C20 C19 H19 105.1 . . ?
C20 C19 H19A 101.7 . . ?
C20 C19 B1 112.1(3) . . ?
B1 C19 H19 105.1 . . ?
B1 C19 H19A 101.7 . . ?
C24B C19 H19A 101.7 . . ?
C24B C19 C20 97.0(19) . . ?
C24B C19 B1 137.5(15) . . ?
C19 C24A H24A 109.2 . . ?
C19 C24A H24B 109.2 . . ?
H24A C24A H24B 107.9 . . ?
C23A C24A C19 111.9(4) . . ?
C23A C24A H24A 109.2 . . ?
C23A C24A H24B 109.2 . . ?
C24A C23A H23A 109.4 . . ?
C24A C23A H23B 109.4 . . ?
H23A C23A H23B 108.0 . . ?
C22A C23A C24A 111.0(4) . . ?
C22A C23A H23A 109.4 . . ?
C22A C23A H23B 109.4 . . ?
C23A C22A H22A 109.3 . . ?
C23A C22A H22B 109.3 . . ?
H22A C22A H22B 107.9 . . ?
C21A C22A C23A 111.7(4) . . ?
C21A C22A H22A 109.3 . . ?
C21A C22A H22B 109.3 . . ?
C22A C21A H21A 109.5 . . ?
C22A C21A H21B 109.5 . . ?
C22A C21A C20 110.9(4) . . ?
H21A C21A H21B 108.0 . . ?
C20 C21A H21A 109.5 . . ?
C20 C21A H21B 109.5 . . ?
C19 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
C19 C20 H20C 107.9 . . ?
C19 C20 H20D 107.9 . . ?
C19 C20 C21B 117.5(19) . . ?
C21A C20 C19 112.1(4) . . ?
C21A C20 H20A 109.2 . . ?
C21A C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
H20C C20 H20D 107.2 . . ?
C21B C20 H20C 107.9 . . ?
C21B C20 H20D 107.9 . . ?
C14 C13 H13 106.5 . . ?
C14 C13 C18 108.1(3) . . ?
C14 C13 B1 114.9(3) . . ?
C18 C13 H13 106.5 . . ?
C18 C13 B1 113.8(3) . . ?
B1 C13 H13 106.5 . . ?
C13 C14 H14A 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C15 C14 C13 112.6(3) . . ?
C15 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C14 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
H15A C15 H15B 107.9 . . ?
C16 C15 C14 111.7(4) . . ?
C16 C15 H15A 109.3 . . ?
C16 C15 H15B 109.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 C17 110.7(3) . . ?
H16A C16 H16B 108.1 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 C18 110.8(4) . . ?
H17A C17 H17B 108.1 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C13 C18 H18A 108.8 . . ?
C13 C18 H18B 108.8 . . ?
C17 C18 C13 113.9(3) . . ?
C17 C18 H18A 108.8 . . ?
C17 C18 H18B 108.8 . . ?
H18A C18 H18B 107.7 . . ?
C26 C25 B1 170.2(4) . . ?
C26 C25 Li1 76.0(3) . . ?
B1 C25 Li1 108.9(3) . . ?
Si1 C26 Li1 119.6(3) . . ?
C25 C26 Si1 166.6(4) . . ?
C25 C26 Li1 72.8(3) . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C19 B1 C2 105.2(3) . . ?
C13 B1 C2 111.3(3) . . ?
C13 B1 C19 114.9(3) . . ?
C25 B1 C2 113.5(3) . . ?
C25 B1 C19 110.4(3) . . ?
C25 B1 C13 101.8(3) . . ?
C25 Li1 P1 86.1(3) . . ?
C25 Li1 C26 31.16(17) . . ?
C26 Li1 P1 105.2(3) . . ?
O1 Li1 P1 124.1(4) . . ?
O1 Li1 C25 149.3(4) . . ?
O1 Li1 C26 122.7(4) . . ?
H32A C32 H32B 110.6 . . ?
C33 C32 H32A 113.2 . . ?
C33 C32 H32B 113.2 . . ?
C33 C32 O1 92.4(11) . . ?
O1 C32 H32A 113.2 . . ?
O1 C32 H32B 113.2 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 O1 Li1 124.0(5) . . ?
C30 O1 Li1 123.8(5) . . ?
C30 O1 C32 107.1(6) . . ?
O1 C30 H30A 108.5 . . ?
O1 C30 H30B 108.5 . . ?
H30A C30 H30B 107.5 . . ?
C31 C30 O1 115.2(8) . . ?
C31 C30 H30A 108.5 . . ?
C31 C30 H30B 108.5 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C19 C24B H24C 107.5 . . ?
C19 C24B H24D 107.5 . . ?
C19 C24B C23B 119(3) . . ?
H24C C24B H24D 107.0 . . ?
C23B C24B H24C 107.5 . . ?
C23B C24B H24D 107.5 . . ?
C24B C23B H23C 109.4 . . ?
C24B C23B H23D 109.4 . . ?
H23C C23B H23D 108.0 . . ?
C22B C23B C24B 111(4) . . ?
C22B C23B H23C 109.4 . . ?
C22B C23B H23D 109.4 . . ?
C23B C22B H22C 111.1 . . ?
C23B C22B H22D 111.1 . . ?
H22C C22B H22D 109.1 . . ?
C21B C22B C23B 103(3) . . ?
C21B C22B H22C 111.1 . . ?
C21B C22B H22D 111.1 . . ?
C20 C21B H21C 108.9 . . ?
C20 C21B H21D 108.9 . . ?
C22B C21B C20 114(3) . . ?
C22B C21B H21C 108.9 . . ?
C22B C21B H21D 108.9 . . ?
H21C C21B H21D 107.7 . . ?

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
P1 C1 C2 C3 -179.3(3) . . . . ?
P1 C1 C2 B1 4.5(5) . . . . ?
P1 C1 C6 C5 178.6(3) . . . . ?
P1 Li1 O1 C32 88.4(8) . . . . ?
P1 Li1 O1 C30 -63.0(7) . . . . ?
C1 P1 C10 C12 67.9(4) . . . . ?
C1 P1 C10 C11 -170.3(4) . . . . ?
C1 P1 C7 C9 -40.9(4) . . . . ?
C1 P1 C7 C8 -162.3(4) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C1 C2 B1 C19 74.1(4) . . . . ?
C1 C2 B1 C13 -160.9(3) . . . . ?
C1 C2 B1 C25 -46.7(5) . . . . ?
C2 C1 C6 C5 -0.1(6) . . . . ?
C2 C3 C4 C5 1.4(7) . . . . ?
C3 C2 B1 C19 -101.9(4) . . . . ?
C3 C2 B1 C13 23.1(5) . . . . ?
C3 C2 B1 C25 137.3(4) . . . . ?
C3 C4 C5 C6 -2.2(6) . . . . ?
C4 C5 C6 C1 1.6(6) . . . . ?
C6 C1 C2 C3 -0.7(5) . . . . ?
C6 C1 C2 B1 -176.8(4) . . . . ?
C10 P1 C1 C2 -132.2(4) . . . . ?
C10 P1 C1 C6 49.1(4) . . . . ?
C10 P1 C7 C9 -147.4(4) . . . . ?
C10 P1 C7 C8 91.2(5) . . . . ?
C7 P1 C1 C2 120.1(3) . . . . ?
C7 P1 C1 C6 -58.6(4) . . . . ?
C7 P1 C10 C12 174.7(4) . . . . ?
C7 P1 C10 C11 -63.5(5) . . . . ?
C19 C24A C23A C22A 56.3(5) . . . . ?
C19 C20 C21B C22B 62(4) . . . . ?
C19 C24B C23B C22B -66(5) . . . . ?
C24A C19 C20 C21A 55.7(5) . . . . ?
C24A C19 B1 C2 -156.6(3) . . . . ?
C24A C19 B1 C13 80.6(4) . . . . ?
C24A C19 B1 C25 -33.8(5) . . . . ?
C24A C23A C22A C21A -55.4(6) . . . . ?
C23A C22A C21A C20 55.1(7) . . . . ?
C22A C21A C20 C19 -55.9(6) . . . . ?
C20 C19 C24A C23A -55.8(5) . . . . ?
C20 C19 B1 C2 74.4(4) . . . . ?
C20 C19 B1 C13 -48.4(5) . . . . ?
C20 C19 B1 C25 -162.8(3) . . . . ?
C20 C19 C24B C23B 58(4) . . . . ?
C13 C14 C15 C16 56.5(5) . . . . ?
C14 C13 C18 C17 54.3(4) . . . . ?
C14 C13 B1 C2 -173.5(3) . . . . ?
C14 C13 B1 C19 -54.1(4) . . . . ?
C14 C13 B1 C25 65.2(4) . . . . ?
C14 C15 C16 C17 -55.6(5) . . . . ?
C15 C16 C17 C18 54.9(5) . . . . ?
C16 C17 C18 C13 -56.0(5) . . . . ?
C18 C13 C14 C15 -53.8(4) . . . . ?
C18 C13 B1 C2 61.0(4) . . . . ?
C18 C13 B1 C19 -179.5(3) . . . . ?
C18 C13 B1 C25 -60.2(4) . . . . ?
C25 Li1 O1 C32 -103.1(11) . . . . ?
C25 Li1 O1 C30 105.6(10) . . . . ?
C26 Li1 O1 C32 -127.5(7) . . . . ?
C26 Li1 O1 C30 81.1(7) . . . . ?
C27 Si1 C26 C25 15.7(17) . . . . ?
C27 Si1 C26 Li1 172.0(4) . . . . ?
C28 Si1 C26 C25 -101.5(17) . . . . ?
C28 Si1 C26 Li1 54.8(4) . . . . ?
C29 Si1 C26 C25 136.8(16) . . . . ?
C29 Si1 C26 Li1 -67.0(4) . . . . ?
B1 C2 C3 C4 176.5(4) . . . . ?
B1 C19 C24A C23A 173.9(4) . . . . ?
B1 C19 C20 C21A -170.4(4) . . . . ?
B1 C19 C20 C21B 157(2) . . . . ?
B1 C19 C24B C23B -168(2) . . . . ?
B1 C13 C14 C15 177.9(3) . . . . ?
B1 C13 C18 C17 -176.7(3) . . . . ?
Li1 P1 C1 C2 -1.6(4) . . . . ?
Li1 P1 C1 C6 179.7(3) . . . . ?
Li1 P1 C10 C12 -61.8(5) . . . . ?
Li1 P1 C10 C11 60.0(5) . . . . ?
Li1 P1 C7 C9 84.5(4) . . . . ?
Li1 P1 C7 C8 -36.9(5) . . . . ?
Li1 C25 C26 Si1 158.5(17) . . . . ?
Li1 C25 B1 C2 81.3(4) . . . . ?
Li1 C25 B1 C19 -36.6(4) . . . . ?
Li1 C25 B1 C13 -159.0(3) . . . . ?
Li1 O1 C30 C31 -133.4(9) . . . . ?
C32 O1 C30 C31 71.2(11) . . . . ?
C33 C32 O1 Li1 96.2(9) . . . . ?
C33 C32 O1 C30 -108.4(8) . . . . ?
C24B C19 C20 C21B -55(3) . . . . ?
C24B C19 B1 C2 -55(3) . . . . ?
C24B C19 B1 C13 -178(3) . . . . ?
C24B C19 B1 C25 68(3) . . . . ?
C24B C23B C22B C21B 55(5) . . . . ?
C23B C22B C21B C20 -54(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: pentane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# 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_PB(GeCCSiMe3_2)
_database_code_depnum_ccdc_archive 'CCDC 2337935'
loop_
_audit_author_name
_audit_author_address
'Michael J. Ferguson'
;University of Alberta
Canada
;
_audit_update_record             
;
2024-03-05 deposited with the CCDC.	2024-04-01 downloaded from the CCDC.
;
_audit_creation_date             2023-02-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H58 B Ge P Si2'
_chemical_formula_sum            'C34 H58 B Ge P Si2'
_chemical_formula_weight         637.35
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   11.9583(15)
_cell_length_b                   20.414(3)
_cell_length_c                   16.094(2)
_cell_angle_alpha                90
_cell_angle_beta                 107.665(2)
_cell_angle_gamma                90
_cell_volume                     3743.7(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5012
_cell_measurement_temperature    193.15
_cell_measurement_theta_max      22.755
_cell_measurement_theta_min      2.397
_shelx_estimated_absorpt_T_max   0.960
_shelx_estimated_absorpt_T_min   0.641
_exptl_absorpt_coefficient_mu    0.945
_exptl_absorpt_correction_T_max  0.9977
_exptl_absorpt_correction_T_min  0.7881
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
'SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,  J. Appl. Cryst. 48 (2015) 3-10'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.131
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rod
_exptl_crystal_F_000             1368
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 -1.00 0.00 0.0110
0.00 1.00 0.00 0.0210
1.00 -1.00 1.00 0.2110
-1.00 1.00 -1.00 0.2180
-1.00 0.00 1.00 0.0210
1.00 0.00 -1.00 0.0240

_exptl_crystal_size_max          0.516
_exptl_crystal_size_mid          0.048
_exptl_crystal_size_min          0.043
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0906
_diffrn_reflns_av_unetI/netI     0.0664
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            44085
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.485
_diffrn_reflns_theta_min         1.661
_diffrn_ambient_temperature      193.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5242
_reflns_number_total             7726
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.701
_refine_diff_density_min         -0.290
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         7726
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0446
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0424P)²+1.2403P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0961
_refine_ls_wR_factor_ref         0.1117
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C19(H19), C13(H13), C7(H7), C10(H10)
2.b Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C24(H24A,H24B), C20(H20A,H20B), C15(H15A,H15B), C18(H18A,
 H18B), C23(H23A,H23B), C17(H17A,H17B), C16(H16A,H16B), C21(H21A,H21B),
 C22(H22A,H22B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C6(H6), C4(H4), C5(H5)
2.d Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C9(H9A,H9B,H9C), C8(H8A,H8B,H8C), C33(H33A,H33B,H33C),
 C12(H12A,H12B,H12C), C29(H29A,H29B,H29C), C32(H32A,H32B,H32C), C34(H34A,H34B,
 H34C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ge1 Ge 0.33271(3) 0.26129(2) 0.30515(2) 0.02522(10) Uani 1 1 d . . . . .
P1 P 0.19475(7) 0.23440(4) 0.16929(5) 0.02643(18) Uani 1 1 d . . . . .
Si2 Si 0.20094(8) 0.12886(5) 0.51731(7) 0.0411(2) Uani 1 1 d . . . . .
Si1 Si 0.69775(8) 0.15391(5) 0.28734(7) 0.0429(2) Uani 1 1 d . . . . .
C25 C 0.4756(3) 0.21937(14) 0.3015(2) 0.0314(7) Uani 1 1 d . . . . .
C30 C 0.2868(3) 0.20562(15) 0.3858(2) 0.0309(7) Uani 1 1 d . . . . .
C2 C 0.2055(2) 0.36920(13) 0.19012(18) 0.0256(6) Uani 1 1 d . . . . .
C1 C 0.1585(2) 0.31722(14) 0.13226(19) 0.0270(7) Uani 1 1 d . . . . .
C3 C 0.1779(3) 0.43243(14) 0.1539(2) 0.0331(7) Uani 1 1 d . . . . .
H3 H 0.207130 0.469326 0.189891 0.040 Uiso 1 1 calc R U . . .
C19 C 0.2168(2) 0.37696(13) 0.36209(19) 0.0270(6) Uani 1 1 d . . . . .
H19 H 0.266622 0.359046 0.419155 0.032 Uiso 1 1 calc R U . . .
C13 C 0.4086(2) 0.40705(14) 0.30666(18) 0.0264(6) Uani 1 1 d . . . . .
H13 H 0.382724 0.453843 0.298964 0.032 Uiso 1 1 calc R U . . .
C6 C 0.0896(3) 0.32854(16) 0.04560(19) 0.0343(7) Uani 1 1 d . . . . .
H6 H 0.058837 0.292360 0.008582 0.041 Uiso 1 1 calc R U . . .
C4 C 0.1112(3) 0.44311(16) 0.0692(2) 0.0385(8) Uani 1 1 d . . . . .
H4 H 0.095529 0.486691 0.048186 0.046 Uiso 1 1 calc R U . . .
C14 C 0.4743(3) 0.39503(15) 0.2398(2) 0.0351(7) Uani 1 1 d . . . . .
H14A H 0.500456 0.348810 0.243787 0.042 Uiso 1 1 calc R U . . .
H14B H 0.419978 0.402280 0.180484 0.042 Uiso 1 1 calc R U . . .
C31 C 0.2558(3) 0.17498(15) 0.4391(2) 0.0361(7) Uani 1 1 d . . . . .
C26 C 0.5659(3) 0.19418(15) 0.2996(2) 0.0353(7) Uani 1 1 d . . . . .
C24 C 0.0980(3) 0.34202(15) 0.3409(2) 0.0336(7) Uani 1 1 d . . . . .
H24A H 0.046514 0.358299 0.284248 0.040 Uiso 1 1 calc R U . . .
H24B H 0.110120 0.294514 0.334654 0.040 Uiso 1 1 calc R U . . .
C7 C 0.2480(3) 0.19264(16) 0.0873(2) 0.0419(8) Uani 1 1 d . . . . .
H7 H 0.179513 0.184400 0.034393 0.050 Uiso 1 1 calc R U . . .
C10 C 0.0616(3) 0.19361(15) 0.1805(2) 0.0359(8) Uani 1 1 d . . . . .
H10 H 0.041340 0.216967 0.228610 0.043 Uiso 1 1 calc R U . . .
C5 C 0.0662(3) 0.39089(17) 0.0139(2) 0.0399(8) Uani 1 1 d . . . . .
H5 H 0.020136 0.398294 -0.044825 0.048 Uiso 1 1 calc R U . . .
C20 C 0.1970(3) 0.44969(14) 0.3770(2) 0.0411(8) Uani 1 1 d . . . . .
H20A H 0.273467 0.472751 0.393864 0.049 Uiso 1 1 calc R U . . .
H20B H 0.147302 0.469258 0.321830 0.049 Uiso 1 1 calc R U . . .
C15 C 0.5808(3) 0.43974(17) 0.2539(2) 0.0479(9) Uani 1 1 d . . . . .
H15A H 0.623203 0.427998 0.211827 0.057 Uiso 1 1 calc R U . . .
H15B H 0.554149 0.485708 0.242679 0.057 Uiso 1 1 calc R U . . .
B1 B 0.2886(3) 0.36400(15) 0.2912(2) 0.0238(7) Uani 1 1 d . . . . .
C18 C 0.4939(3) 0.40235(15) 0.3987(2) 0.0371(8) Uani 1 1 d . . . . .
H18A H 0.521302 0.356513 0.410148 0.044 Uiso 1 1 calc R U . . .
H18B H 0.452265 0.414040 0.441174 0.044 Uiso 1 1 calc R U . . .
C11 C -0.0447(3) 0.20004(19) 0.1006(2) 0.0515(10) Uani 1 1 d . . . . .
H11A H -0.060007 0.246483 0.086108 0.077 Uiso 1 1 calc R U . . .
H11B H -0.113132 0.180529 0.112522 0.077 Uiso 1 1 calc R U . . .
H11C H -0.029831 0.177287 0.051352 0.077 Uiso 1 1 calc R U . . .
C23 C 0.0368(3) 0.35209(16) 0.4099(2) 0.0464(9) Uani 1 1 d . . . . .
H23A H -0.040920 0.330453 0.391003 0.056 Uiso 1 1 calc R U . . .
H23B H 0.083728 0.331457 0.465114 0.056 Uiso 1 1 calc R U . . .
C17 C 0.6001(3) 0.44721(18) 0.4123(2) 0.0508(10) Uani 1 1 d . . . . .
H17A H 0.573891 0.493437 0.407472 0.061 Uiso 1 1 calc R U . . .
H17B H 0.654609 0.440476 0.471763 0.061 Uiso 1 1 calc R U . . .
C16 C 0.6638(3) 0.43389(19) 0.3462(3) 0.0575(11) Uani 1 1 d . . . . .
H16A H 0.697750 0.389259 0.355235 0.069 Uiso 1 1 calc R U . . .
H16B H 0.729002 0.465538 0.354377 0.069 Uiso 1 1 calc R U . . .
C21 C 0.1380(4) 0.45943(17) 0.4480(3) 0.0572(11) Uani 1 1 d . . . . .
H21A H 0.189961 0.442433 0.504049 0.069 Uiso 1 1 calc R U . . .
H21B H 0.125902 0.506805 0.455186 0.069 Uiso 1 1 calc R U . . .
C9 C 0.3350(4) 0.2364(2) 0.0612(3) 0.0598(11) Uani 1 1 d . . . . .
H9A H 0.295555 0.276766 0.034900 0.090 Uiso 1 1 calc R U . . .
H9B H 0.364978 0.213318 0.019013 0.090 Uiso 1 1 calc R U . . .
H9C H 0.400362 0.247209 0.113083 0.090 Uiso 1 1 calc R U . . .
C8 C 0.3054(4) 0.12711(18) 0.1204(3) 0.0646(12) Uani 1 1 d . . . . .
H8A H 0.367234 0.133714 0.175871 0.097 Uiso 1 1 calc R U . . .
H8B H 0.339732 0.108534 0.077539 0.097 Uiso 1 1 calc R U . . .
H8C H 0.246242 0.096958 0.129198 0.097 Uiso 1 1 calc R U . . .
C22 C 0.0210(4) 0.42436(18) 0.4253(3) 0.0602(11) Uani 1 1 d . . . . .
H22A H -0.033588 0.444024 0.372102 0.072 Uiso 1 1 calc R U . . .
H22B H -0.013630 0.429581 0.473488 0.072 Uiso 1 1 calc R U . . .
C33 C 0.3234(3) 0.1082(2) 0.6144(3) 0.0675(13) Uani 1 1 d . . . . .
H33A H 0.379026 0.079801 0.597508 0.101 Uiso 1 1 calc R U . . .
H33B H 0.293249 0.085225 0.656603 0.101 Uiso 1 1 calc R U . . .
H33C H 0.363327 0.148415 0.640759 0.101 Uiso 1 1 calc R U . . .
C12 C 0.0833(4) 0.12193(18) 0.2094(3) 0.0660(12) Uani 1 1 d . . . . .
H12A H 0.086896 0.094992 0.159906 0.099 Uiso 1 1 calc R U . . .
H12B H 0.019139 0.106513 0.230493 0.099 Uiso 1 1 calc R U . . .
H12C H 0.157738 0.118476 0.256406 0.099 Uiso 1 1 calc R U . . .
C29 C 0.8115(4) 0.2176(2) 0.2974(3) 0.0791(14) Uani 1 1 d . . . . .
H29A H 0.784684 0.248977 0.249361 0.119 Uiso 1 1 calc R U . . .
H29B H 0.884521 0.196995 0.295192 0.119 Uiso 1 1 calc R U . . .
H29C H 0.825464 0.240634 0.353117 0.119 Uiso 1 1 calc R U . . .
C32 C 0.1275(4) 0.05387(19) 0.4615(3) 0.0691(12) Uani 1 1 d . . . . .
H32A H 0.064231 0.066187 0.409121 0.104 Uiso 1 1 calc R U . . .
H32B H 0.094798 0.029242 0.501001 0.104 Uiso 1 1 calc R U . . .
H32C H 0.184806 0.026580 0.445037 0.104 Uiso 1 1 calc R U . . .
C34 C 0.0932(4) 0.1815(2) 0.5467(3) 0.0783(14) Uani 1 1 d . . . . .
H34A H 0.132903 0.220427 0.577541 0.117 Uiso 1 1 calc R U . . .
H34B H 0.057468 0.157075 0.584571 0.117 Uiso 1 1 calc R U . . .
H34C H 0.032059 0.194908 0.493631 0.117 Uiso 1 1 calc R U . . .
C27 C 0.6588(4) 0.1163(2) 0.1783(3) 0.0770(14) Uani 1 1 d . . . . .
H27A H 0.599224 0.082368 0.173736 0.116 Uiso 1 1 calc R U . . .
H27B H 0.728862 0.096517 0.169181 0.116 Uiso 1 1 calc R U . . .
H27C H 0.627568 0.149916 0.133829 0.116 Uiso 1 1 calc R U . . .
C28 C 0.7518(4) 0.0917(2) 0.3736(3) 0.0906(17) Uani 1 1 d . . . . .
H28A H 0.771092 0.112788 0.430922 0.136 Uiso 1 1 calc R U . . .
H28B H 0.822179 0.070641 0.366801 0.136 Uiso 1 1 calc R U . . .
H28C H 0.690835 0.058569 0.368904 0.136 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
Ge1 P1 2.3695(8) . ?
Ge1 C25 1.928(3) . ?
Ge1 C30 1.926(3) . ?
Ge1 B1 2.157(3) . ?
P1 C1 1.801(3) . ?
P1 C7 1.840(3) . ?
P1 C10 1.854(3) . ?
Si2 C31 1.845(3) . ?
Si2 C33 1.837(4) . ?
Si2 C32 1.855(4) . ?
Si2 C34 1.846(4) . ?
Si1 C26 1.841(3) . ?
Si1 C29 1.853(4) . ?
Si1 C27 1.842(4) . ?
Si1 C28 1.848(4) . ?
C25 C26 1.205(4) . ?
C30 C31 1.207(4) . ?
C2 C1 1.411(4) . ?
C2 C3 1.414(4) . ?
C2 B1 1.632(4) . ?
C1 C6 1.407(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.372(4) . ?
C19 H19 1.0000 . ?
C19 C24 1.533(4) . ?
C19 C20 1.534(4) . ?
C19 B1 1.645(4) . ?
C13 H13 1.0000 . ?
C13 C14 1.532(4) . ?
C13 B1 1.635(4) . ?
C13 C18 1.525(4) . ?
C6 H6 0.9500 . ?
C6 C5 1.368(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.389(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.527(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C23 1.518(4) . ?
C7 H7 1.0000 . ?
C7 C9 1.523(5) . ?
C7 C8 1.524(5) . ?
C10 H10 1.0000 . ?
C10 C11 1.515(4) . ?
C10 C12 1.534(5) . ?
C5 H5 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.527(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.520(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C17 1.526(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C22 1.517(5) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C16 1.511(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.515(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 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
C25 Ge1 P1 104.13(9) . . ?
C25 Ge1 B1 128.25(12) . . ?
C30 Ge1 P1 102.94(9) . . ?
C30 Ge1 C25 101.27(12) . . ?
C30 Ge1 B1 122.22(12) . . ?
B1 Ge1 P1 92.82(9) . . ?
C1 P1 Ge1 96.79(9) . . ?
C1 P1 C7 107.36(15) . . ?
C1 P1 C10 109.04(14) . . ?
C7 P1 Ge1 118.29(11) . . ?
C7 P1 C10 110.86(15) . . ?
C10 P1 Ge1 113.12(11) . . ?
C31 Si2 C32 107.76(17) . . ?
C31 Si2 C34 107.37(17) . . ?
C33 Si2 C31 109.91(16) . . ?
C33 Si2 C32 111.1(2) . . ?
C33 Si2 C34 110.7(2) . . ?
C34 Si2 C32 109.9(2) . . ?
C26 Si1 C29 107.86(18) . . ?
C26 Si1 C27 108.15(18) . . ?
C26 Si1 C28 109.99(17) . . ?
C27 Si1 C29 110.1(2) . . ?
C27 Si1 C28 111.0(2) . . ?
C28 Si1 C29 109.7(2) . . ?
C26 C25 Ge1 178.9(3) . . ?
C31 C30 Ge1 175.1(3) . . ?
C1 C2 C3 114.7(3) . . ?
C1 C2 B1 127.5(3) . . ?
C3 C2 B1 117.8(2) . . ?
C2 C1 P1 118.7(2) . . ?
C6 C1 P1 119.5(2) . . ?
C6 C1 C2 121.8(3) . . ?
C2 C3 H3 118.4 . . ?
C4 C3 C2 123.2(3) . . ?
C4 C3 H3 118.4 . . ?
C24 C19 H19 106.7 . . ?
C24 C19 C20 108.0(2) . . ?
C24 C19 B1 114.5(2) . . ?
C20 C19 H19 106.7 . . ?
C20 C19 B1 113.7(2) . . ?
B1 C19 H19 106.7 . . ?
C14 C13 H13 105.7 . . ?
C14 C13 B1 114.8(2) . . ?
B1 C13 H13 105.7 . . ?
C18 C13 H13 105.7 . . ?
C18 C13 C14 109.7(2) . . ?
C18 C13 B1 114.3(2) . . ?
C1 C6 H6 119.5 . . ?
C5 C6 C1 121.0(3) . . ?
C5 C6 H6 119.5 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.7(3) . . ?
C5 C4 H4 119.6 . . ?
C13 C14 H14A 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C15 C14 C13 112.5(3) . . ?
C15 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C30 C31 Si2 177.2(3) . . ?
C25 C26 Si1 175.2(3) . . ?
C19 C24 H24A 108.9 . . ?
C19 C24 H24B 108.9 . . ?
H24A C24 H24B 107.7 . . ?
C23 C24 C19 113.2(3) . . ?
C23 C24 H24A 108.9 . . ?
C23 C24 H24B 108.9 . . ?
P1 C7 H7 108.4 . . ?
C9 C7 P1 109.8(2) . . ?
C9 C7 H7 108.4 . . ?
C9 C7 C8 109.8(3) . . ?
C8 C7 P1 111.9(3) . . ?
C8 C7 H7 108.4 . . ?
P1 C10 H10 106.1 . . ?
C11 C10 P1 113.8(2) . . ?
C11 C10 H10 106.1 . . ?
C11 C10 C12 111.2(3) . . ?
C12 C10 P1 112.8(2) . . ?
C12 C10 H10 106.1 . . ?
C6 C5 C4 118.6(3) . . ?
C6 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
C19 C20 H20A 109.3 . . ?
C19 C20 H20B 109.3 . . ?
H20A C20 H20B 107.9 . . ?
C21 C20 C19 111.8(3) . . ?
C21 C20 H20A 109.3 . . ?
C21 C20 H20B 109.3 . . ?
C14 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 C14 111.4(3) . . ?
C16 C15 H15A 109.3 . . ?
C16 C15 H15B 109.3 . . ?
C2 B1 Ge1 102.88(18) . . ?
C2 B1 C19 113.1(2) . . ?
C2 B1 C13 111.0(2) . . ?
C19 B1 Ge1 104.26(18) . . ?
C13 B1 Ge1 109.35(19) . . ?
C13 B1 C19 115.2(2) . . ?
C13 C18 H18A 109.1 . . ?
C13 C18 H18B 109.1 . . ?
C13 C18 C17 112.6(3) . . ?
H18A C18 H18B 107.8 . . ?
C17 C18 H18A 109.1 . . ?
C17 C18 H18B 109.1 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C24 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C22 C23 C24 111.3(3) . . ?
C22 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
C16 C17 C18 111.5(3) . . ?
C16 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C17 C16 C15 110.8(3) . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C20 C21 H21A 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C22 C21 C20 111.1(3) . . ?
C22 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C23 C22 H22A 109.6 . . ?
C23 C22 H22B 109.6 . . ?
C21 C22 C23 110.3(3) . . ?
C21 C22 H22A 109.6 . . ?
C21 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si2 C34 H34A 109.5 . . ?
Si2 C34 H34B 109.5 . . ?
Si2 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 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
Ge1 P1 C1 C2 -6.2(2) . . . . ?
Ge1 P1 C1 C6 170.5(2) . . . . ?
Ge1 P1 C7 C9 -62.3(3) . . . . ?
Ge1 P1 C7 C8 59.9(3) . . . . ?
Ge1 P1 C10 C11 157.0(2) . . . . ?
Ge1 P1 C10 C12 -75.1(3) . . . . ?
P1 C1 C6 C5 -176.1(2) . . . . ?
C2 C1 C6 C5 0.5(5) . . . . ?
C2 C3 C4 C5 0.1(5) . . . . ?
C1 P1 C7 C9 45.7(3) . . . . ?
C1 P1 C7 C8 167.9(2) . . . . ?
C1 P1 C10 C11 50.6(3) . . . . ?
C1 P1 C10 C12 178.4(2) . . . . ?
C1 C2 C3 C4 -0.1(4) . . . . ?
C1 C2 B1 Ge1 9.8(3) . . . . ?
C1 C2 B1 C19 -102.1(3) . . . . ?
C1 C2 B1 C13 126.6(3) . . . . ?
C1 C6 C5 C4 -0.5(5) . . . . ?
C3 C2 C1 P1 176.5(2) . . . . ?
C3 C2 C1 C6 -0.2(4) . . . . ?
C3 C2 B1 Ge1 -168.6(2) . . . . ?
C3 C2 B1 C19 79.5(3) . . . . ?
C3 C2 B1 C13 -51.8(3) . . . . ?
C3 C4 C5 C6 0.2(5) . . . . ?
C19 C24 C23 C22 56.0(4) . . . . ?
C19 C20 C21 C22 -58.4(4) . . . . ?
C13 C14 C15 C16 55.2(4) . . . . ?
C13 C18 C17 C16 -55.9(4) . . . . ?
C14 C13 B1 Ge1 63.5(3) . . . . ?
C14 C13 B1 C2 -49.4(3) . . . . ?
C14 C13 B1 C19 -179.5(2) . . . . ?
C14 C13 C18 C17 53.8(4) . . . . ?
C14 C15 C16 C17 -55.3(4) . . . . ?
C24 C19 C20 C21 55.9(4) . . . . ?
C24 C19 B1 Ge1 -66.6(3) . . . . ?
C24 C19 B1 C2 44.4(3) . . . . ?
C24 C19 B1 C13 173.6(2) . . . . ?
C24 C23 C22 C21 -55.0(4) . . . . ?
C7 P1 C1 C2 -128.7(2) . . . . ?
C7 P1 C1 C6 48.0(3) . . . . ?
C7 P1 C10 C11 -67.4(3) . . . . ?
C7 P1 C10 C12 60.4(3) . . . . ?
C10 P1 C1 C2 111.1(2) . . . . ?
C10 P1 C1 C6 -72.1(3) . . . . ?
C10 P1 C7 C9 164.7(2) . . . . ?
C10 P1 C7 C8 -73.1(3) . . . . ?
C20 C19 C24 C23 -55.2(3) . . . . ?
C20 C19 B1 Ge1 168.7(2) . . . . ?
C20 C19 B1 C2 -80.3(3) . . . . ?
C20 C19 B1 C13 48.8(4) . . . . ?
C20 C21 C22 C23 56.5(5) . . . . ?
B1 C2 C1 P1 -2.0(4) . . . . ?
B1 C2 C1 C6 -178.6(3) . . . . ?
B1 C2 C3 C4 178.5(3) . . . . ?
B1 C19 C24 C23 177.0(3) . . . . ?
B1 C19 C20 C21 -175.9(3) . . . . ?
B1 C13 C14 C15 176.2(3) . . . . ?
B1 C13 C18 C17 -175.6(3) . . . . ?
C18 C13 C14 C15 -53.5(3) . . . . ?
C18 C13 B1 Ge1 -64.6(3) . . . . ?
C18 C13 B1 C2 -177.4(2) . . . . ?
C18 C13 B1 C19 52.5(3) . . . . ?
C18 C17 C16 C15 55.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: pentane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# 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_PB(SiCCSiMe3_2)
_database_code_depnum_ccdc_archive 'CCDC 2337936'
loop_
_audit_author_name
_audit_author_address
'Michael J. Ferguson'
;University of Alberta
Canada
;
_audit_update_record             
;
2024-03-05 deposited with the CCDC.	2024-04-01 downloaded from the CCDC.
;
_audit_creation_date             2023-01-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H58 B P Si3'
_chemical_formula_sum            'C34 H58 B P Si3'
_chemical_formula_weight         592.85
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   11.7526(12)
_cell_length_b                   19.307(2)
_cell_length_c                   16.8909(17)
_cell_angle_alpha                90
_cell_angle_beta                 105.0956(17)
_cell_angle_gamma                90
_cell_volume                     3700.5(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9173
_cell_measurement_temperature    193.15
_cell_measurement_theta_max      26.80
_cell_measurement_theta_min      2.17
_shelx_estimated_absorpt_T_max   0.974
_shelx_estimated_absorpt_T_min   0.915
_exptl_absorpt_coefficient_mu    0.192
_exptl_absorpt_correction_T_max  0.9953
_exptl_absorpt_correction_T_min  0.9352
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
'SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,  J. Appl. Cryst. 48 (2015) 3-10'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.064
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1296
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 0.00 1.00 0.0700
1.00 0.00 -1.00 0.0560
0.00 -1.00 -1.00 0.1920
0.00 1.00 1.00 0.2430
-1.00 1.00 -1.00 0.1580
1.00 -1.00 1.00 0.1530
0.00 1.00 0.00 0.2070
2.00 1.00 2.00 0.2250
-2.00 -1.00 -2.00 0.2000
0.00 -2.00 1.00 0.1940
0.00 -2.00 -1.00 0.1840
0.00 2.00 1.00 0.2310
1.00 2.00 -2.00 0.1450
1.00 1.00 -2.00 0.1330
1.00 -2.00 -2.00 0.1440
-1.00 0.00 2.00 0.1300
1.00 0.00 -2.00 0.1210
2.00 2.00 -1.00 0.1410
1.00 -2.00 -1.00 0.1300

_exptl_crystal_size_max          0.469
_exptl_crystal_size_mid          0.372
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            86565
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.329
_diffrn_reflns_theta_min         1.635
_diffrn_ambient_temperature      193.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7489
_reflns_number_total             9233
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.326
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         9233
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0433
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0649P)²+1.3022P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1260
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Si2-C29B \\sim Si2-C27B \\sim Si2-C28B
 with sigma of 0.01
3. Others
 Sof(C29B)=Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C27B)=Sof(H27D)=Sof(H27E)=
 Sof(H27F)=Sof(C28B)=Sof(H28D)=Sof(H28E)=Sof(H28F)=1-FVAR(1)
 Sof(C28A)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C29A)=Sof(H29A)=Sof(H29B)=
 Sof(H29C)=Sof(C27A)=Sof(H27A)=Sof(H27B)=Sof(H27C)=FVAR(1)
4.a Ternary CH refined with riding coordinates:
 C10(H10), C7(H7), C19(H19), C13(H13)
4.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,
 H24B), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B),
 C18(H18A,H18B)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6)
4.d Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C),
 C28A(H28A,H28B,H28C), C29A(H29A,H29B,H29C), C27A(H27A,H27B,H27C), C32(H32A,
 H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C29B(H29D,H29E,H29F),
 C27B(H27D,H27E,H27F), C28B(H28D,H28E,H28F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.60706(3) 0.29687(2) 0.79143(2) 0.02899(10) Uani 1 1 d . . . . .
Si1 Si 0.47818(3) 0.26634(2) 0.66853(2) 0.02565(10) Uani 1 1 d . . . . .
Si2 Si 0.58604(5) 0.36677(3) 0.43304(3) 0.04254(13) Uani 1 1 d D . . . .
Si3 Si 0.10587(4) 0.37474(2) 0.67755(3) 0.04025(12) Uani 1 1 d . . . . .
C1 C 0.64237(13) 0.21028(7) 0.83040(9) 0.0286(3) Uani 1 1 d . . . . .
C2 C 0.59609(12) 0.15504(7) 0.77765(8) 0.0271(3) Uani 1 1 d . . . . .
C3 C 0.62301(14) 0.08853(8) 0.81184(10) 0.0362(3) Uani 1 1 d . . . . .
H3 H 0.594388 0.049356 0.778565 0.043 Uiso 1 1 calc R U . . .
C4 C 0.68923(15) 0.07750(9) 0.89166(11) 0.0433(4) Uani 1 1 d . . . . .
H4 H 0.705755 0.031586 0.911560 0.052 Uiso 1 1 calc R U . . .
C5 C 0.73143(16) 0.13333(10) 0.94255(10) 0.0444(4) Uani 1 1 d . . . . .
H5 H 0.775842 0.126037 0.997544 0.053 Uiso 1 1 calc R U . . .
C6 C 0.70798(15) 0.19947(9) 0.91217(9) 0.0390(4) Uani 1 1 d . . . . .
H6 H 0.736191 0.238107 0.946505 0.047 Uiso 1 1 calc R U . . .
C25 C 0.52028(13) 0.31315(8) 0.58522(9) 0.0317(3) Uani 1 1 d . . . . .
C26 C 0.54268(16) 0.33665(9) 0.52514(11) 0.0422(4) Uani 1 1 d . . . . .
C30 C 0.33832(13) 0.30878(8) 0.67219(9) 0.0308(3) Uani 1 1 d . . . . .
C31 C 0.24576(14) 0.33430(8) 0.67296(10) 0.0373(3) Uani 1 1 d . . . . .
C10 C 0.54844(16) 0.34189(9) 0.86837(10) 0.0420(4) Uani 1 1 d . . . . .
H10 H 0.614470 0.346144 0.919245 0.050 Uiso 1 1 calc R U . . .
C11 C 0.45126(19) 0.29924(12) 0.89045(12) 0.0541(5) Uani 1 1 d . . . . .
H11A H 0.384131 0.294876 0.842122 0.081 Uiso 1 1 calc R U . . .
H11B H 0.425832 0.322469 0.934514 0.081 Uiso 1 1 calc R U . . .
H11C H 0.481615 0.253079 0.908830 0.081 Uiso 1 1 calc R U . . .
C12 C 0.5059(2) 0.41525(10) 0.84194(14) 0.0585(5) Uani 1 1 d . . . . .
H12A H 0.572665 0.443350 0.836014 0.088 Uiso 1 1 calc R U . . .
H12B H 0.471892 0.436033 0.883509 0.088 Uiso 1 1 calc R U . . .
H12C H 0.446002 0.413368 0.789358 0.088 Uiso 1 1 calc R U . . .
C7 C 0.74365(15) 0.33970(9) 0.78154(11) 0.0401(4) Uani 1 1 d . . . . .
H7 H 0.781655 0.307115 0.750145 0.048 Uiso 1 1 calc R U . . .
C8 C 0.83253(18) 0.35150(13) 0.86404(13) 0.0589(5) Uani 1 1 d . . . . .
H8A H 0.799584 0.384026 0.896730 0.088 Uiso 1 1 calc R U . . .
H8B H 0.905350 0.370719 0.855094 0.088 Uiso 1 1 calc R U . . .
H8C H 0.849752 0.307337 0.893317 0.088 Uiso 1 1 calc R U . . .
C9 C 0.7211(2) 0.40710(11) 0.73222(14) 0.0635(6) Uani 1 1 d . . . . .
H9A H 0.657111 0.400028 0.682516 0.095 Uiso 1 1 calc R U . . .
H9B H 0.792871 0.420767 0.716968 0.095 Uiso 1 1 calc R U . . .
H9C H 0.698937 0.443647 0.765602 0.095 Uiso 1 1 calc R U . . .
C19 C 0.39007(12) 0.11807(7) 0.67335(8) 0.0258(3) Uani 1 1 d . . . . .
H19 H 0.412598 0.068003 0.678263 0.031 Uiso 1 1 calc R U . . .
C20 C 0.30268(13) 0.12631(8) 0.58886(9) 0.0324(3) Uani 1 1 d . . . . .
H20A H 0.342002 0.113068 0.545897 0.039 Uiso 1 1 calc R U . . .
H20B H 0.279267 0.175559 0.580356 0.039 Uiso 1 1 calc R U . . .
C21 C 0.19196(14) 0.08172(9) 0.57983(10) 0.0390(4) Uani 1 1 d . . . . .
H21A H 0.137178 0.089824 0.525234 0.047 Uiso 1 1 calc R U . . .
H21B H 0.214227 0.032145 0.583608 0.047 Uiso 1 1 calc R U . . .
C22 C 0.13051(14) 0.09897(10) 0.64607(12) 0.0433(4) Uani 1 1 d . . . . .
H22A H 0.103039 0.147625 0.639955 0.052 Uiso 1 1 calc R U . . .
H22B H 0.060851 0.068667 0.640186 0.052 Uiso 1 1 calc R U . . .
C23 C 0.21450(14) 0.08873(9) 0.73026(10) 0.0386(3) Uani 1 1 d . . . . .
H23A H 0.235886 0.039140 0.738036 0.046 Uiso 1 1 calc R U . . .
H23B H 0.174585 0.102147 0.772834 0.046 Uiso 1 1 calc R U . . .
C24 C 0.32652(14) 0.13192(8) 0.74061(9) 0.0332(3) Uani 1 1 d . . . . .
H24A H 0.380962 0.121540 0.794716 0.040 Uiso 1 1 calc R U . . .
H24B H 0.305769 0.181651 0.739909 0.040 Uiso 1 1 calc R U . . .
C13 C 0.58616(12) 0.14132(7) 0.61493(8) 0.0261(3) Uani 1 1 d . . . . .
H13 H 0.538888 0.159983 0.561182 0.031 Uiso 1 1 calc R U . . .
C14 C 0.70919(13) 0.17465(8) 0.63118(10) 0.0336(3) Uani 1 1 d . . . . .
H14A H 0.701340 0.225412 0.636098 0.040 Uiso 1 1 calc R U . . .
H14B H 0.758836 0.157307 0.684115 0.040 Uiso 1 1 calc R U . . .
C15 C 0.77078(16) 0.15954(9) 0.56408(12) 0.0440(4) Uani 1 1 d . . . . .
H15A H 0.725885 0.181099 0.512147 0.053 Uiso 1 1 calc R U . . .
H15B H 0.850558 0.180293 0.579219 0.053 Uiso 1 1 calc R U . . .
C16 C 0.78080(16) 0.08211(10) 0.55140(14) 0.0511(5) Uani 1 1 d . . . . .
H16A H 0.834005 0.061358 0.600978 0.061 Uiso 1 1 calc R U . . .
H16B H 0.815242 0.073839 0.504626 0.061 Uiso 1 1 calc R U . . .
C17 C 0.66000(16) 0.04764(9) 0.53447(12) 0.0447(4) Uani 1 1 d . . . . .
H17A H 0.669078 -0.003073 0.530009 0.054 Uiso 1 1 calc R U . . .
H17B H 0.609750 0.064603 0.481544 0.054 Uiso 1 1 calc R U . . .
C18 C 0.60011(14) 0.06324(8) 0.60271(10) 0.0353(3) Uani 1 1 d . . . . .
H18A H 0.647308 0.042767 0.654644 0.042 Uiso 1 1 calc R U . . .
H18B H 0.521374 0.041158 0.589202 0.042 Uiso 1 1 calc R U . . .
C28A C 0.5130(4) 0.3109(2) 0.34922(19) 0.1139(18) Uani 0.866(4) 1 d . . P A 1
H28A H 0.548638 0.264741 0.357422 0.171 Uiso 0.866(4) 1 calc R U P A 1
H28B H 0.521538 0.330280 0.297439 0.171 Uiso 0.866(4) 1 calc R U P A 1
H28C H 0.429112 0.307549 0.347372 0.171 Uiso 0.866(4) 1 calc R U P A 1
C29A C 0.7484(2) 0.3626(2) 0.45841(19) 0.0830(11) Uani 0.866(4) 1 d . . P A 1
H29A H 0.781671 0.390639 0.507314 0.125 Uiso 0.866(4) 1 calc R U P A 1
H29B H 0.775732 0.380499 0.412289 0.125 Uiso 0.866(4) 1 calc R U P A 1
H29C H 0.773954 0.314395 0.469113 0.125 Uiso 0.866(4) 1 calc R U P A 1
C27A C 0.5391(3) 0.45816(17) 0.4098(2) 0.0917(12) Uani 0.866(4) 1 d . . P A 1
H27A H 0.452981 0.461038 0.396850 0.138 Uiso 0.866(4) 1 calc R U P A 1
H27B H 0.566030 0.474362 0.362772 0.138 Uiso 0.866(4) 1 calc R U P A 1
H27C H 0.573618 0.487224 0.457606 0.138 Uiso 0.866(4) 1 calc R U P A 1
C32 C 0.0795(2) 0.45037(12) 0.60732(15) 0.0638(6) Uani 1 1 d . . . . .
H32A H 0.146215 0.482402 0.623157 0.096 Uiso 1 1 calc R U . . .
H32B H 0.007185 0.474100 0.610748 0.096 Uiso 1 1 calc R U . . .
H32C H 0.071020 0.434535 0.550955 0.096 Uiso 1 1 calc R U . . .
C33 C -0.01226(19) 0.30841(13) 0.64592(17) 0.0661(6) Uani 1 1 d . . . . .
H33A H -0.014909 0.291918 0.590603 0.099 Uiso 1 1 calc R U . . .
H33B H -0.088389 0.328995 0.646163 0.099 Uiso 1 1 calc R U . . .
H33C H 0.004351 0.269419 0.684359 0.099 Uiso 1 1 calc R U . . .
C34 C 0.1222(2) 0.40128(11) 0.78602(14) 0.0569(5) Uani 1 1 d . . . . .
H34A H 0.130636 0.359956 0.820762 0.085 Uiso 1 1 calc R U . . .
H34B H 0.052237 0.427297 0.789892 0.085 Uiso 1 1 calc R U . . .
H34C H 0.192239 0.430532 0.804431 0.085 Uiso 1 1 calc R U . . .
B1 B 0.51337(14) 0.16138(8) 0.68352(9) 0.0246(3) Uani 1 1 d . . . . .
C29B C 0.691(2) 0.4388(12) 0.4628(16) 0.103(8) Uiso 0.134(4) 1 d D . P A 2
H29D H 0.692618 0.453921 0.518510 0.155 Uiso 0.134(4) 1 calc R U P A 2
H29E H 0.666017 0.477485 0.424628 0.155 Uiso 0.134(4) 1 calc R U P A 2
H29F H 0.769608 0.423422 0.461143 0.155 Uiso 0.134(4) 1 calc R U P A 2
C27B C 0.4564(17) 0.3878(13) 0.3476(12) 0.090(7) Uiso 0.134(4) 1 d D . P A 2
H27D H 0.384683 0.371037 0.360682 0.134 Uiso 0.134(4) 1 calc R U P A 2
H27E H 0.464458 0.365333 0.297278 0.134 Uiso 0.134(4) 1 calc R U P A 2
H27F H 0.451315 0.438049 0.339506 0.134 Uiso 0.134(4) 1 calc R U P A 2
C28B C 0.661(2) 0.2912(11) 0.3999(16) 0.099(8) Uiso 0.134(4) 1 d D . P A 2
H28D H 0.678461 0.256441 0.443583 0.149 Uiso 0.134(4) 1 calc R U P A 2
H28E H 0.734410 0.306580 0.388305 0.149 Uiso 0.134(4) 1 calc R U P A 2
H28F H 0.609117 0.270989 0.350209 0.149 Uiso 0.134(4) 1 calc R U P A 2


_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 Si1 2.3050(6) . ?
P1 C1 1.8051(15) . ?
P1 C10 1.8401(16) . ?
P1 C7 1.8516(17) . ?
Si1 C25 1.8451(15) . ?
Si1 C30 1.8520(15) . ?
Si1 B1 2.0706(16) . ?
Si2 C26 1.8523(17) . ?
Si2 C28A 1.808(3) . ?
Si2 C29A 1.845(3) . ?
Si2 C27A 1.860(3) . ?
Si2 C29B 1.839(16) . ?
Si2 C27B 1.851(15) . ?
Si2 C28B 1.863(15) . ?
Si3 C31 1.8399(17) . ?
Si3 C32 1.856(2) . ?
Si3 C33 1.862(2) . ?
Si3 C34 1.864(2) . ?
C1 C2 1.405(2) . ?
C1 C6 1.411(2) . ?
C2 C3 1.410(2) . ?
C2 B1 1.638(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.387(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.377(3) . ?
C6 H6 0.9500 . ?
C25 C26 1.202(2) . ?
C30 C31 1.197(2) . ?
C10 H10 1.0000 . ?
C10 C11 1.531(3) . ?
C10 C12 1.529(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 . ?
C7 H7 1.0000 . ?
C7 C8 1.525(3) . ?
C7 C9 1.530(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C19 H19 1.0000 . ?
C19 C20 1.5341(19) . ?
C19 C24 1.537(2) . ?
C19 B1 1.643(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.534(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.518(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.518(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.529(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C13 H13 1.0000 . ?
C13 C14 1.5406(19) . ?
C13 C18 1.5362(19) . ?
C13 B1 1.655(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.523(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.519(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.526(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.529(2) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C28A H28A 0.9800 . ?
C28A H28B 0.9800 . ?
C28A H28C 0.9800 . ?
C29A H29A 0.9800 . ?
C29A H29B 0.9800 . ?
C29A H29C 0.9800 . ?
C27A H27A 0.9800 . ?
C27A H27B 0.9800 . ?
C27A H27C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C29B H29D 0.9800 . ?
C29B H29E 0.9800 . ?
C29B H29F 0.9800 . ?
C27B H27D 0.9800 . ?
C27B H27E 0.9800 . ?
C27B H27F 0.9800 . ?
C28B H28D 0.9800 . ?
C28B H28E 0.9800 . ?
C28B H28F 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
C1 P1 Si1 97.26(5) . . ?
C1 P1 C10 105.82(8) . . ?
C1 P1 C7 108.92(8) . . ?
C10 P1 Si1 118.54(6) . . ?
C10 P1 C7 110.22(8) . . ?
C7 P1 Si1 114.51(6) . . ?
C25 Si1 P1 108.53(5) . . ?
C25 Si1 C30 103.03(7) . . ?
C25 Si1 B1 119.20(7) . . ?
C30 Si1 P1 103.75(5) . . ?
C30 Si1 B1 125.42(7) . . ?
B1 Si1 P1 94.40(4) . . ?
C26 Si2 C27A 110.10(11) . . ?
C26 Si2 C28B 105.2(8) . . ?
C28A Si2 C26 106.98(12) . . ?
C28A Si2 C29A 114.0(2) . . ?
C28A Si2 C27A 110.3(2) . . ?
C29A Si2 C26 106.57(11) . . ?
C29A Si2 C27A 108.81(18) . . ?
C29B Si2 C26 108.6(9) . . ?
C29B Si2 C27B 113.8(12) . . ?
C29B Si2 C28B 109.8(12) . . ?
C27B Si2 C26 111.9(8) . . ?
C27B Si2 C28B 107.1(11) . . ?
C31 Si3 C32 108.02(9) . . ?
C31 Si3 C33 107.69(10) . . ?
C31 Si3 C34 107.09(9) . . ?
C32 Si3 C33 111.69(12) . . ?
C32 Si3 C34 111.68(11) . . ?
C33 Si3 C34 110.45(11) . . ?
C2 C1 P1 117.22(10) . . ?
C2 C1 C6 122.08(14) . . ?
C6 C1 P1 120.60(12) . . ?
C1 C2 C3 115.03(13) . . ?
C1 C2 B1 126.34(12) . . ?
C3 C2 B1 118.61(12) . . ?
C2 C3 H3 118.4 . . ?
C4 C3 C2 123.19(15) . . ?
C4 C3 H3 118.4 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.18(16) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 120.5 . . ?
C6 C5 C4 119.02(15) . . ?
C6 C5 H5 120.5 . . ?
C1 C6 H6 119.8 . . ?
C5 C6 C1 120.47(15) . . ?
C5 C6 H6 119.8 . . ?
C26 C25 Si1 171.97(15) . . ?
C25 C26 Si2 175.18(16) . . ?
C31 C30 Si1 177.67(15) . . ?
C30 C31 Si3 178.08(16) . . ?
P1 C10 H10 107.2 . . ?
C11 C10 P1 111.00(12) . . ?
C11 C10 H10 107.2 . . ?
C12 C10 P1 112.66(13) . . ?
C12 C10 H10 107.2 . . ?
C12 C10 C11 111.20(16) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P1 C7 H7 106.5 . . ?
C8 C7 P1 112.82(13) . . ?
C8 C7 H7 106.5 . . ?
C8 C7 C9 110.52(16) . . ?
C9 C7 P1 113.43(14) . . ?
C9 C7 H7 106.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C20 C19 H19 106.0 . . ?
C20 C19 C24 109.46(12) . . ?
C20 C19 B1 113.77(11) . . ?
C24 C19 H19 106.0 . . ?
C24 C19 B1 114.80(11) . . ?
B1 C19 H19 106.0 . . ?
C19 C20 H20A 109.1 . . ?
C19 C20 H20B 109.1 . . ?
C19 C20 C21 112.29(12) . . ?
H20A C20 H20B 107.9 . . ?
C21 C20 H20A 109.1 . . ?
C21 C20 H20B 109.1 . . ?
C20 C21 H21A 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C22 C21 C20 110.95(13) . . ?
C22 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C21 C22 H22A 109.6 . . ?
C21 C22 H22B 109.6 . . ?
H22A C22 H22B 108.2 . . ?
C23 C22 C21 110.10(13) . . ?
C23 C22 H22A 109.6 . . ?
C23 C22 H22B 109.6 . . ?
C22 C23 H23A 109.3 . . ?
C22 C23 H23B 109.3 . . ?
C22 C23 C24 111.50(14) . . ?
H23A C23 H23B 108.0 . . ?
C24 C23 H23A 109.3 . . ?
C24 C23 H23B 109.3 . . ?
C19 C24 H24A 109.0 . . ?
C19 C24 H24B 109.0 . . ?
C23 C24 C19 112.96(12) . . ?
C23 C24 H24A 109.0 . . ?
C23 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
C14 C13 H13 106.6 . . ?
C14 C13 B1 114.19(11) . . ?
C18 C13 H13 106.6 . . ?
C18 C13 C14 107.80(12) . . ?
C18 C13 B1 114.61(12) . . ?
B1 C13 H13 106.6 . . ?
C13 C14 H14A 108.9 . . ?
C13 C14 H14B 108.9 . . ?
H14A C14 H14B 107.8 . . ?
C15 C14 C13 113.16(12) . . ?
C15 C14 H14A 108.9 . . ?
C15 C14 H14B 108.9 . . ?
C14 C15 H15A 109.4 . . ?
C14 C15 H15B 109.4 . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 C14 111.26(15) . . ?
C16 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 C17 110.68(14) . . ?
H16A C16 H16B 108.1 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C16 C17 H17A 109.4 . . ?
C16 C17 H17B 109.4 . . ?
C16 C17 C18 111.18(14) . . ?
H17A C17 H17B 108.0 . . ?
C18 C17 H17A 109.4 . . ?
C18 C17 H17B 109.4 . . ?
C13 C18 H18A 109.1 . . ?
C13 C18 H18B 109.1 . . ?
C17 C18 C13 112.39(13) . . ?
C17 C18 H18A 109.1 . . ?
C17 C18 H18B 109.1 . . ?
H18A C18 H18B 107.9 . . ?
Si2 C28A H28A 109.5 . . ?
Si2 C28A H28B 109.5 . . ?
Si2 C28A H28C 109.5 . . ?
H28A C28A H28B 109.5 . . ?
H28A C28A H28C 109.5 . . ?
H28B C28A H28C 109.5 . . ?
Si2 C29A H29A 109.5 . . ?
Si2 C29A H29B 109.5 . . ?
Si2 C29A H29C 109.5 . . ?
H29A C29A H29B 109.5 . . ?
H29A C29A H29C 109.5 . . ?
H29B C29A H29C 109.5 . . ?
Si2 C27A H27A 109.5 . . ?
Si2 C27A H27B 109.5 . . ?
Si2 C27A H27C 109.5 . . ?
H27A C27A H27B 109.5 . . ?
H27A C27A H27C 109.5 . . ?
H27B C27A H27C 109.5 . . ?
Si3 C32 H32A 109.5 . . ?
Si3 C32 H32B 109.5 . . ?
Si3 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si3 C33 H33A 109.5 . . ?
Si3 C33 H33B 109.5 . . ?
Si3 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si3 C34 H34A 109.5 . . ?
Si3 C34 H34B 109.5 . . ?
Si3 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C2 B1 Si1 103.94(9) . . ?
C2 B1 C19 110.35(11) . . ?
C2 B1 C13 112.18(11) . . ?
C19 B1 Si1 110.04(9) . . ?
C19 B1 C13 114.23(11) . . ?
C13 B1 Si1 105.46(9) . . ?
Si2 C29B H29D 109.5 . . ?
Si2 C29B H29E 109.5 . . ?
Si2 C29B H29F 109.5 . . ?
H29D C29B H29E 109.5 . . ?
H29D C29B H29F 109.5 . . ?
H29E C29B H29F 109.5 . . ?
Si2 C27B H27D 109.5 . . ?
Si2 C27B H27E 109.5 . . ?
Si2 C27B H27F 109.5 . . ?
H27D C27B H27E 109.5 . . ?
H27D C27B H27F 109.5 . . ?
H27E C27B H27F 109.5 . . ?
Si2 C28B H28D 109.5 . . ?
Si2 C28B H28E 109.5 . . ?
Si2 C28B H28F 109.5 . . ?
H28D C28B H28E 109.5 . . ?
H28D C28B H28F 109.5 . . ?
H28E C28B H28F 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
P1 C1 C2 C3 -178.04(11) . . . . ?
P1 C1 C2 B1 0.37(19) . . . . ?
P1 C1 C6 C5 177.82(14) . . . . ?
Si1 P1 C1 C2 5.60(12) . . . . ?
Si1 P1 C1 C6 -170.78(12) . . . . ?
Si1 P1 C10 C11 57.03(15) . . . . ?
Si1 P1 C10 C12 -68.42(15) . . . . ?
Si1 P1 C7 C8 -173.38(13) . . . . ?
Si1 P1 C7 C9 59.98(15) . . . . ?
C1 P1 C10 C11 -50.65(15) . . . . ?
C1 P1 C10 C12 -176.09(13) . . . . ?
C1 P1 C7 C8 -65.74(16) . . . . ?
C1 P1 C7 C9 167.62(14) . . . . ?
C1 C2 C3 C4 0.5(2) . . . . ?
C1 C2 B1 Si1 -6.90(17) . . . . ?
C1 C2 B1 C19 -124.86(14) . . . . ?
C1 C2 B1 C13 106.54(15) . . . . ?
C2 C1 C6 C5 1.6(3) . . . . ?
C2 C3 C4 C5 0.8(3) . . . . ?
C3 C2 B1 Si1 171.45(11) . . . . ?
C3 C2 B1 C19 53.50(17) . . . . ?
C3 C2 B1 C13 -75.10(16) . . . . ?
C3 C4 C5 C6 -0.9(3) . . . . ?
C4 C5 C6 C1 -0.2(3) . . . . ?
C6 C1 C2 C3 -1.7(2) . . . . ?
C6 C1 C2 B1 176.69(14) . . . . ?
C10 P1 C1 C2 128.05(12) . . . . ?
C10 P1 C1 C6 -48.33(15) . . . . ?
C10 P1 C7 C8 49.95(17) . . . . ?
C10 P1 C7 C9 -76.70(16) . . . . ?
C7 P1 C1 C2 -113.46(12) . . . . ?
C7 P1 C1 C6 70.16(14) . . . . ?
C7 P1 C10 C11 -168.27(13) . . . . ?
C7 P1 C10 C12 66.29(16) . . . . ?
C19 C20 C21 C22 57.30(18) . . . . ?
C20 C19 C24 C23 52.57(17) . . . . ?
C20 C19 B1 Si1 60.96(13) . . . . ?
C20 C19 B1 C2 175.10(12) . . . . ?
C20 C19 B1 C13 -57.42(16) . . . . ?
C20 C21 C22 C23 -57.54(18) . . . . ?
C21 C22 C23 C24 56.47(19) . . . . ?
C22 C23 C24 C19 -55.09(18) . . . . ?
C24 C19 C20 C21 -53.56(17) . . . . ?
C24 C19 B1 Si1 -66.23(13) . . . . ?
C24 C19 B1 C2 47.90(16) . . . . ?
C24 C19 B1 C13 175.39(12) . . . . ?
C13 C14 C15 C16 -56.3(2) . . . . ?
C14 C13 C18 C17 -55.79(17) . . . . ?
C14 C13 B1 Si1 66.69(13) . . . . ?
C14 C13 B1 C2 -45.81(16) . . . . ?
C14 C13 B1 C19 -172.35(12) . . . . ?
C14 C15 C16 C17 54.7(2) . . . . ?
C15 C16 C17 C18 -55.4(2) . . . . ?
C16 C17 C18 C13 57.4(2) . . . . ?
C18 C13 C14 C15 55.48(17) . . . . ?
C18 C13 B1 Si1 -168.26(10) . . . . ?
C18 C13 B1 C2 79.24(15) . . . . ?
C18 C13 B1 C19 -47.30(16) . . . . ?
B1 C2 C3 C4 -178.01(15) . . . . ?
B1 C19 C20 C21 176.51(13) . . . . ?
B1 C19 C24 C23 -178.07(13) . . . . ?
B1 C13 C14 C15 -175.94(13) . . . . ?
B1 C13 C18 C17 175.86(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: diethylether/pentane'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
