# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_wangyuq_0626_auto
_database_code_depnum_ccdc_archive 'CCDC 2467845'
loop_
_audit_author_name
_audit_author_address
wangyuquan
;Lanzhou University
China
;
_audit_update_record             
;
2025-06-27 deposited with the CCDC.	2026-02-09 downloaded from the CCDC.
;
_audit_creation_date             2025-06-26
_audit_creation_method           
;
Olex2 1.5-ac5-024
(compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H55 O2 P Si'
_chemical_formula_sum            'C37 H55 O2 P Si'
_chemical_formula_weight         590.87
_chemical_absolute_configuration ad
_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 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   6.16070(10)
_cell_length_b                   16.4581(2)
_cell_length_c                   33.3457(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3381.03(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14501
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      75.9980
_cell_measurement_theta_min      2.6380
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.280
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90656
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.143a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.161
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       2
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            17022
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.934
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.122
_diffrn_reflns_theta_min         2.650
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     41.00  66.00   0.50    0.24    --  108.90 -61.00-150.00   50
  2  ω     38.00  63.00   0.50    0.24    --  108.90 -61.00 -30.00   50
  3  ω     73.00  99.00   0.50    0.24    --  108.90 -77.00  30.00   52
  4  ω     39.00  70.00   0.50    0.24    --  108.90 -77.00  30.00   62
  5  ω     35.00  68.00   0.50    0.24    --  108.90 -61.00  60.00   66
  6  ω     -1.00  96.00   0.50    0.06    --   44.41   2.00 -18.00  194
  7  ω     80.00 105.00   0.50    0.24    --  108.90 -94.00-120.00   50
  8  ω     78.00 103.00   0.50    0.24    --  108.90 -94.00-150.00   50
  9  ω     35.00  68.00   0.50    0.24    --  108.90 -94.00-150.00   66
 10  ω     37.00 104.00   0.50    0.24    --  108.90 -94.00 120.00  134
 11  ω   -117.00 -84.00   0.50    0.24    -- -100.00 132.00 168.00   66
 12  ω   -112.00 -67.00   0.50    0.24    -- -100.00 125.00 120.00   90
 13  ω    -54.00 -29.00   0.50    0.24    -- -100.00 125.00 120.00   50
 14  ω    -30.00   6.00   0.50    0.06    --  -44.41  19.00 120.00   72
 15  ω    -67.00 -26.00   0.50    0.24    -- -100.00  61.00  30.00   82
 16  ω    -54.00 -27.00   0.50    0.24    -- -100.00  45.00   0.00   54
 17  ω   -172.00 -54.00   0.50    0.24    -- -100.00   2.00 -18.00  236
 18  ω   -145.00 -88.00   0.50    0.24    -- -100.00-131.00   8.00  114
 19  ω   -120.00 -75.00   0.50    0.06    --  -44.41-179.00 -60.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0023204000
_diffrn_orient_matrix_UB_12      -0.0646406000
_diffrn_orient_matrix_UB_13      0.0334172000
_diffrn_orient_matrix_UB_21      -0.0072662000
_diffrn_orient_matrix_UB_22      0.0676920000
_diffrn_orient_matrix_UB_23      0.0318746000
_diffrn_orient_matrix_UB_31      -0.2499487000
_diffrn_orient_matrix_UB_32      -0.0012898000
_diffrn_orient_matrix_UB_33      -0.0012410000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.705
_reflns_Friedel_fraction_full    0.976
_reflns_Friedel_fraction_max     0.903
_reflns_number_gt                6364
_reflns_number_total             6611
_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       'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.143a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.185
_refine_diff_density_min         -0.204
_refine_diff_density_rms         0.036
_refine_ls_abs_structure_details 
;
 Flack x determined using 2572 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.007(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         6611
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0299
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0344P)²+0.5295P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0763
_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:
 C6(H6), C15(H15), C38(H38), C40(H40), C63(H63), C86(H86)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C13(H13A,H13B), C21(H21A,H21B), C33(H33A,H33B), C36(H36A,H36B),
 C70(H70A,H70B), C72(H72A,H72B), C80(H80A,H80B), C94(H94A,H94B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C27(H27), C35(H35), C44(H44), C55(H55), C64(H64), C65(H65), C68(H68),
 C69(H69), C75(H75)
2.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C18(H18A,H18B,H18C), C23(H23A,H23B,
 H23C), C56(H56A,H56B,H56C), C77(H77A,H77B,H77C), C91(H91A,H91B,H91C)
;
_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
P46 P 0.06559(7) 0.75794(3) 0.26891(2) 0.02077(11) Uani 1 1 d . . . . .
Si26 Si 0.88520(9) 0.37203(3) 0.56923(2) 0.02624(13) Uani 1 1 d . . . . .
O28 O -0.1702(2) 0.76951(9) 0.27675(5) 0.0288(3) Uani 1 1 d . . . . .
O34 O 0.6691(2) 0.41533(10) 0.54924(5) 0.0302(3) Uani 1 1 d . . . . .
C5 C 0.3666(4) 0.56519(14) 0.21472(7) 0.0329(5) Uani 1 1 d . . . . .
H5 H 0.505942 0.552163 0.204365 0.039 Uiso 1 1 calc R U . . .
C6 C 0.4215(3) 0.60385(11) 0.41135(6) 0.0196(4) Uani 1 1 d . . . . .
H6 H 0.575611 0.608669 0.402223 0.024 Uiso 1 1 calc R U . . .
C7 C 0.5781(3) 0.54649(13) 0.52132(6) 0.0265(4) Uani 1 1 d . . . . .
H7A H 0.668496 0.576814 0.540777 0.032 Uiso 1 1 calc R U . . .
H7B H 0.432461 0.539002 0.533303 0.032 Uiso 1 1 calc R U . . .
C10 C 0.6369(5) 0.23402(17) 0.58691(9) 0.0463(6) Uani 1 1 d . . . . .
H10A H 0.582325 0.195620 0.606981 0.069 Uiso 1 1 calc R U . . .
H10B H 0.723158 0.204681 0.566903 0.069 Uiso 1 1 calc R U . . .
H10C H 0.514296 0.260842 0.573679 0.069 Uiso 1 1 calc R U . . .
C11 C 0.1929(3) 0.53279(15) 0.46404(7) 0.0322(5) Uani 1 1 d . . . . .
H11A H 0.197095 0.508713 0.490907 0.048 Uiso 1 1 calc R U . . .
H11B H 0.124236 0.494650 0.445367 0.048 Uiso 1 1 calc R U . . .
H11C H 0.108974 0.583361 0.464815 0.048 Uiso 1 1 calc R U . . .
C13 C 0.4755(3) 0.73210(12) 0.45184(6) 0.0255(4) Uani 1 1 d . . . . .
H13A H 0.627242 0.738166 0.442521 0.031 Uiso 1 1 calc R U . . .
H13B H 0.417052 0.787011 0.457326 0.031 Uiso 1 1 calc R U . . .
C15 C 0.5572(3) 0.59612(12) 0.48266(6) 0.0220(4) Uani 1 1 d . . . . .
H15 H 0.707637 0.602556 0.471835 0.026 Uiso 1 1 calc R U . . .
C18 C 0.9698(5) 0.25485(19) 0.62804(9) 0.0493(7) Uani 1 1 d . . . . .
H18A H 1.057935 0.226971 0.607809 0.074 Uiso 1 1 calc R U . . .
H18B H 0.913944 0.215060 0.647318 0.074 Uiso 1 1 calc R U . . .
H18C H 1.059370 0.294941 0.642127 0.074 Uiso 1 1 calc R U . . .
C21 C 0.2309(4) 0.84657(13) 0.33453(6) 0.0282(4) Uani 1 1 d . . . . .
H21A H 0.341150 0.884584 0.323837 0.034 Uiso 1 1 calc R U . . .
H21B H 0.085475 0.871246 0.331157 0.034 Uiso 1 1 calc R U . . .
C23 C 1.0588(6) 0.45218(18) 0.59224(10) 0.0535(7) Uani 1 1 d . . . . .
H23A H 0.987388 0.473578 0.616281 0.080 Uiso 1 1 calc R U . . .
H23B H 1.080807 0.496306 0.572927 0.080 Uiso 1 1 calc R U . . .
H23C H 1.199594 0.428811 0.599608 0.080 Uiso 1 1 calc R U . . .
C27 C 0.0626(4) 0.91820(13) 0.17749(7) 0.0309(4) Uani 1 1 d . . . . .
H27 H -0.042138 0.935288 0.158351 0.037 Uiso 1 1 calc R U . . .
C31 C 0.1631(3) 0.83290(11) 0.23343(6) 0.0219(4) Uani 1 1 d . . . . .
C33 C 0.2964(3) 0.56378(12) 0.37672(6) 0.0231(4) Uani 1 1 d . . . . .
H33A H 0.144258 0.554807 0.385209 0.028 Uiso 1 1 calc R U . . .
H33B H 0.361456 0.509999 0.371043 0.028 Uiso 1 1 calc R U . . .
C35 C 0.0101(3) 0.85928(13) 0.20554(6) 0.0269(4) Uani 1 1 d . . . . .
H35 H -0.131752 0.836626 0.205767 0.032 Uiso 1 1 calc R U . . .
C36 C 0.2972(3) 0.61470(12) 0.33794(6) 0.0226(4) Uani 1 1 d . . . . .
H36A H 0.447383 0.619152 0.327590 0.027 Uiso 1 1 calc R U . . .
H36B H 0.207719 0.587450 0.317271 0.027 Uiso 1 1 calc R U . . .
C38 C 0.3456(3) 0.73859(11) 0.37958(6) 0.0206(4) Uani 1 1 d . . . . .
H38 H 0.499401 0.737370 0.369987 0.025 Uiso 1 1 calc R U . . .
C40 C 0.3405(3) 0.69160(12) 0.41895(6) 0.0210(4) Uani 1 1 d . . . . .
H40 H 0.186501 0.688726 0.428319 0.025 Uiso 1 1 calc R U . . .
C42 C 0.2069(3) 0.69941(12) 0.34617(6) 0.0199(4) Uani 1 1 d . . . . .
C44 C 0.3721(3) 0.86552(12) 0.23265(6) 0.0249(4) Uani 1 1 d . . . . .
H44 H 0.478975 0.846761 0.250973 0.030 Uiso 1 1 calc R U . . .
C55 C 0.2686(4) 0.95211(14) 0.17748(7) 0.0309(5) Uani 1 1 d . . . . .
H55 H 0.303955 0.993447 0.158698 0.037 Uiso 1 1 calc R U . . .
C56 C -0.0342(3) 0.69502(14) 0.35746(6) 0.0277(4) Uani 1 1 d . . . . .
H56A H -0.113145 0.664391 0.336905 0.042 Uiso 1 1 calc R U . . .
H56B H -0.093624 0.750125 0.359259 0.042 Uiso 1 1 calc R U . . .
H56C H -0.049769 0.667727 0.383418 0.042 Uiso 1 1 calc R U . . .
C61 C 0.1222(3) 0.66073(12) 0.24586(6) 0.0222(4) Uani 1 1 d . . . . .
C63 C 0.2432(3) 0.76347(12) 0.31239(6) 0.0208(4) Uani 1 1 d . . . . .
H63 H 0.395554 0.756814 0.302551 0.025 Uiso 1 1 calc R U . . .
C64 C -0.0019(4) 0.52683(13) 0.22857(7) 0.0324(5) Uani 1 1 d . . . . .
H64 H -0.114781 0.487541 0.227692 0.039 Uiso 1 1 calc R U . . .
C65 C 0.3274(3) 0.64182(13) 0.23070(7) 0.0273(4) Uani 1 1 d . . . . .
H65 H 0.439979 0.681239 0.231310 0.033 Uiso 1 1 calc R U . . .
C68 C 0.4231(4) 0.92587(13) 0.20480(7) 0.0288(4) Uani 1 1 d . . . . .
H68 H 0.564333 0.949057 0.204559 0.035 Uiso 1 1 calc R U . . .
C69 C -0.0421(3) 0.60290(13) 0.24451(6) 0.0274(4) Uani 1 1 d . . . . .
H69 H -0.182321 0.615679 0.254566 0.033 Uiso 1 1 calc R U . . .
C70 C 0.5448(4) 0.47018(12) 0.44185(6) 0.0272(4) Uani 1 1 d . . . . .
H70A H 0.463121 0.438903 0.421476 0.033 Uiso 1 1 calc R U . . .
H70B H 0.690334 0.482098 0.430702 0.033 Uiso 1 1 calc R U . . .
C72 C 0.5705(4) 0.41818(13) 0.47955(7) 0.0309(4) Uani 1 1 d . . . . .
H72A H 0.425464 0.399768 0.488515 0.037 Uiso 1 1 calc R U . . .
H72B H 0.657188 0.369347 0.472904 0.037 Uiso 1 1 calc R U . . .
C73 C 0.4255(3) 0.55107(12) 0.44996(6) 0.0208(4) Uani 1 1 d . . . . .
C75 C 0.2012(4) 0.50762(14) 0.21391(7) 0.0346(5) Uani 1 1 d . . . . .
H75 H 0.228212 0.455041 0.203264 0.041 Uiso 1 1 calc R U . . .
C77 C 1.0405(4) 0.31829(16) 0.52926(8) 0.0407(6) Uani 1 1 d . . . . .
H77A H 1.080089 0.356962 0.508142 0.061 Uiso 1 1 calc R U . . .
H77B H 0.950660 0.274970 0.517826 0.061 Uiso 1 1 calc R U . . .
H77C H 1.172553 0.294689 0.540803 0.061 Uiso 1 1 calc R U . . .
C79 C 0.7792(4) 0.29798(15) 0.60750(7) 0.0325(5) Uani 1 1 d . . . . .
C80 C 0.4718(4) 0.68185(13) 0.49044(6) 0.0268(4) Uani 1 1 d . . . . .
H80A H 0.562766 0.708654 0.511033 0.032 Uiso 1 1 calc R U . . .
H80B H 0.321436 0.678791 0.500778 0.032 Uiso 1 1 calc R U . . .
C86 C 0.6802(3) 0.46345(13) 0.51362(6) 0.0259(4) Uani 1 1 d . . . . .
H86 H 0.836407 0.471564 0.506521 0.031 Uiso 1 1 calc R U . . .
C91 C 0.6449(5) 0.3430(2) 0.63899(9) 0.0519(7) Uani 1 1 d . . . . .
H91A H 0.736485 0.383033 0.652642 0.078 Uiso 1 1 calc R U . . .
H91B H 0.588691 0.303994 0.658630 0.078 Uiso 1 1 calc R U . . .
H91C H 0.523369 0.370737 0.625882 0.078 Uiso 1 1 calc R U . . .
C94 C 0.2754(4) 0.82791(13) 0.37933(6) 0.0287(4) Uani 1 1 d . . . . .
H94A H 0.392013 0.863262 0.389959 0.034 Uiso 1 1 calc R U . . .
H94B H 0.142794 0.835867 0.395634 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
P46 O28 1.4883(15) . ?
P46 C31 1.812(2) . ?
P46 C61 1.809(2) . ?
P46 C63 1.8187(19) . ?
Si26 O34 1.6510(15) . ?
Si26 C23 1.864(3) . ?
Si26 C77 1.864(3) . ?
Si26 C79 1.882(2) . ?
O34 C86 1.429(2) . ?
C5 H5 0.9500 . ?
C5 C65 1.390(3) . ?
C5 C75 1.391(4) . ?
C6 H6 1.0000 . ?
C6 C33 1.537(3) . ?
C6 C40 1.549(3) . ?
C6 C73 1.553(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C15 1.532(3) . ?
C7 C86 1.526(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 C79 1.533(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 C73 1.538(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C40 1.529(3) . ?
C13 C80 1.530(3) . ?
C15 H15 1.0000 . ?
C15 C73 1.548(3) . ?
C15 C80 1.528(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C18 C79 1.533(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C63 1.556(3) . ?
C21 C94 1.550(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C27 H27 0.9500 . ?
C27 C35 1.386(3) . ?
C27 C55 1.386(3) . ?
C31 C35 1.394(3) . ?
C31 C44 1.395(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C36 1.541(3) . ?
C35 H35 0.9500 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C42 1.526(3) . ?
C38 H38 1.0000 . ?
C38 C40 1.524(3) . ?
C38 C42 1.545(3) . ?
C38 C94 1.532(3) . ?
C40 H40 1.0000 . ?
C42 C56 1.534(3) . ?
C42 C63 1.559(3) . ?
C44 H44 0.9500 . ?
C44 C68 1.396(3) . ?
C55 H55 0.9500 . ?
C55 C68 1.387(3) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C61 C65 1.396(3) . ?
C61 C69 1.390(3) . ?
C63 H63 1.0000 . ?
C64 H64 0.9500 . ?
C64 C69 1.383(3) . ?
C64 C75 1.380(4) . ?
C65 H65 0.9500 . ?
C68 H68 0.9500 . ?
C69 H69 0.9500 . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C70 C72 1.529(3) . ?
C70 C73 1.545(3) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C72 C86 1.517(3) . ?
C75 H75 0.9500 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C79 C91 1.528(4) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C86 H86 1.0000 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C94 H94A 0.9900 . ?
C94 H94B 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
O28 P46 C31 110.56(9) . . ?
O28 P46 C61 112.09(9) . . ?
O28 P46 C63 116.18(9) . . ?
C31 P46 C63 106.68(9) . . ?
C61 P46 C31 105.11(9) . . ?
C61 P46 C63 105.47(9) . . ?
O34 Si26 C23 108.89(12) . . ?
O34 Si26 C77 109.28(11) . . ?
O34 Si26 C79 105.89(9) . . ?
C23 Si26 C77 109.61(15) . . ?
C23 Si26 C79 112.24(13) . . ?
C77 Si26 C79 110.84(11) . . ?
C86 O34 Si26 122.42(12) . . ?
C65 C5 H5 120.1 . . ?
C65 C5 C75 119.9(2) . . ?
C75 C5 H5 120.1 . . ?
C33 C6 H6 106.4 . . ?
C33 C6 C40 111.19(15) . . ?
C33 C6 C73 112.99(15) . . ?
C40 C6 H6 106.4 . . ?
C40 C6 C73 113.00(15) . . ?
C73 C6 H6 106.4 . . ?
H7A C7 H7B 107.9 . . ?
C15 C7 H7A 109.3 . . ?
C15 C7 H7B 109.3 . . ?
C86 C7 H7A 109.3 . . ?
C86 C7 H7B 109.3 . . ?
C86 C7 C15 111.75(17) . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C79 C10 H10A 109.5 . . ?
C79 C10 H10B 109.5 . . ?
C79 C10 H10C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C73 C11 H11A 109.5 . . ?
C73 C11 H11B 109.5 . . ?
C73 C11 H11C 109.5 . . ?
H13A C13 H13B 108.0 . . ?
C40 C13 H13A 109.4 . . ?
C40 C13 H13B 109.4 . . ?
C80 C13 H13A 109.4 . . ?
C80 C13 H13B 109.4 . . ?
C80 C13 C40 111.07(17) . . ?
C7 C15 H15 106.4 . . ?
C7 C15 C73 112.42(16) . . ?
C73 C15 H15 106.4 . . ?
C80 C15 C7 112.24(16) . . ?
C80 C15 H15 106.4 . . ?
C80 C15 C73 112.41(16) . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C79 C18 H18A 109.5 . . ?
C79 C18 H18B 109.5 . . ?
C79 C18 H18C 109.5 . . ?
H21A C21 H21B 108.7 . . ?
C63 C21 H21A 110.5 . . ?
C63 C21 H21B 110.5 . . ?
C94 C21 H21A 110.5 . . ?
C94 C21 H21B 110.5 . . ?
C94 C21 C63 105.94(16) . . ?
Si26 C23 H23A 109.5 . . ?
Si26 C23 H23B 109.5 . . ?
Si26 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C35 C27 H27 120.1 . . ?
C35 C27 C55 119.7(2) . . ?
C55 C27 H27 120.1 . . ?
C35 C31 P46 115.06(15) . . ?
C35 C31 C44 119.47(18) . . ?
C44 C31 P46 125.46(15) . . ?
C6 C33 H33A 108.9 . . ?
C6 C33 H33B 108.9 . . ?
C6 C33 C36 113.29(15) . . ?
H33A C33 H33B 107.7 . . ?
C36 C33 H33A 108.9 . . ?
C36 C33 H33B 108.9 . . ?
C27 C35 C31 120.71(19) . . ?
C27 C35 H35 119.6 . . ?
C31 C35 H35 119.6 . . ?
C33 C36 H36A 109.6 . . ?
C33 C36 H36B 109.6 . . ?
H36A C36 H36B 108.1 . . ?
C42 C36 C33 110.15(16) . . ?
C42 C36 H36A 109.6 . . ?
C42 C36 H36B 109.6 . . ?
C40 C38 H38 106.6 . . ?
C40 C38 C42 113.44(15) . . ?
C40 C38 C94 119.05(16) . . ?
C42 C38 H38 106.6 . . ?
C94 C38 H38 106.6 . . ?
C94 C38 C42 103.90(15) . . ?
C6 C40 H40 108.2 . . ?
C13 C40 C6 110.40(16) . . ?
C13 C40 H40 108.2 . . ?
C38 C40 C6 108.99(15) . . ?
C38 C40 C13 112.66(16) . . ?
C38 C40 H40 108.2 . . ?
C36 C42 C38 108.01(15) . . ?
C36 C42 C56 110.75(17) . . ?
C36 C42 C63 115.81(16) . . ?
C38 C42 C63 99.16(14) . . ?
C56 C42 C38 112.23(16) . . ?
C56 C42 C63 110.39(15) . . ?
C31 C44 H44 120.2 . . ?
C31 C44 C68 119.63(19) . . ?
C68 C44 H44 120.2 . . ?
C27 C55 H55 119.9 . . ?
C68 C55 C27 120.2(2) . . ?
C68 C55 H55 119.9 . . ?
C42 C56 H56A 109.5 . . ?
C42 C56 H56B 109.5 . . ?
C42 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C65 C61 P46 121.71(15) . . ?
C69 C61 P46 118.60(16) . . ?
C69 C61 C65 119.66(19) . . ?
P46 C63 H63 107.3 . . ?
C21 C63 P46 113.12(13) . . ?
C21 C63 C42 104.15(15) . . ?
C21 C63 H63 107.3 . . ?
C42 C63 P46 117.11(13) . . ?
C42 C63 H63 107.3 . . ?
C69 C64 H64 119.8 . . ?
C75 C64 H64 119.8 . . ?
C75 C64 C69 120.4(2) . . ?
C5 C65 C61 119.88(19) . . ?
C5 C65 H65 120.1 . . ?
C61 C65 H65 120.1 . . ?
C44 C68 H68 119.9 . . ?
C55 C68 C44 120.3(2) . . ?
C55 C68 H68 119.9 . . ?
C61 C69 H69 119.9 . . ?
C64 C69 C61 120.1(2) . . ?
C64 C69 H69 119.9 . . ?
H70A C70 H70B 107.8 . . ?
C72 C70 H70A 109.0 . . ?
C72 C70 H70B 109.0 . . ?
C72 C70 C73 112.81(17) . . ?
C73 C70 H70A 109.0 . . ?
C73 C70 H70B 109.0 . . ?
C70 C72 H72A 109.0 . . ?
C70 C72 H72B 109.0 . . ?
H72A C72 H72B 107.8 . . ?
C86 C72 C70 112.76(17) . . ?
C86 C72 H72A 109.0 . . ?
C86 C72 H72B 109.0 . . ?
C11 C73 C6 110.36(16) . . ?
C11 C73 C15 111.55(17) . . ?
C11 C73 C70 109.18(17) . . ?
C15 C73 C6 108.91(15) . . ?
C70 C73 C6 110.13(15) . . ?
C70 C73 C15 106.63(16) . . ?
C5 C75 H75 120.0 . . ?
C64 C75 C5 120.1(2) . . ?
C64 C75 H75 120.0 . . ?
Si26 C77 H77A 109.5 . . ?
Si26 C77 H77B 109.5 . . ?
Si26 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C10 C79 Si26 109.85(16) . . ?
C10 C79 C18 108.7(2) . . ?
C18 C79 Si26 109.71(17) . . ?
C91 C79 Si26 109.88(18) . . ?
C91 C79 C10 109.3(2) . . ?
C91 C79 C18 109.4(2) . . ?
C13 C80 H80A 109.5 . . ?
C13 C80 H80B 109.5 . . ?
C15 C80 C13 110.56(16) . . ?
C15 C80 H80A 109.5 . . ?
C15 C80 H80B 109.5 . . ?
H80A C80 H80B 108.1 . . ?
O34 C86 C7 109.67(17) . . ?
O34 C86 C72 109.20(17) . . ?
O34 C86 H86 108.5 . . ?
C7 C86 H86 108.5 . . ?
C72 C86 C7 112.47(17) . . ?
C72 C86 H86 108.5 . . ?
C79 C91 H91A 109.5 . . ?
C79 C91 H91B 109.5 . . ?
C79 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C21 C94 H94A 110.9 . . ?
C21 C94 H94B 110.9 . . ?
C38 C94 C21 104.19(16) . . ?
C38 C94 H94A 110.9 . . ?
C38 C94 H94B 110.9 . . ?
H94A C94 H94B 108.9 . . ?

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
P46 C31 C35 C27 178.17(17) . . . . ?
P46 C31 C44 C68 -176.96(16) . . . . ?
P46 C61 C65 C5 177.34(17) . . . . ?
P46 C61 C69 C64 -177.41(16) . . . . ?
Si26 O34 C86 C7 -126.29(16) . . . . ?
Si26 O34 C86 C72 110.05(18) . . . . ?
O28 P46 C31 C35 -30.36(18) . . . . ?
O28 P46 C31 C44 148.62(17) . . . . ?
O28 P46 C61 C65 170.70(16) . . . . ?
O28 P46 C61 C69 -11.35(18) . . . . ?
O28 P46 C63 C21 -59.68(17) . . . . ?
O28 P46 C63 C42 61.47(16) . . . . ?
O34 Si26 C79 C10 61.0(2) . . . . ?
O34 Si26 C79 C18 -179.62(18) . . . . ?
O34 Si26 C79 C91 -59.3(2) . . . . ?
C6 C33 C36 C42 -56.1(2) . . . . ?
C7 C15 C73 C6 -177.43(16) . . . . ?
C7 C15 C73 C11 60.5(2) . . . . ?
C7 C15 C73 C70 -58.6(2) . . . . ?
C7 C15 C80 C13 174.17(17) . . . . ?
C15 C7 C86 O34 -172.09(16) . . . . ?
C15 C7 C86 C72 -50.4(2) . . . . ?
C23 Si26 O34 C86 71.7(2) . . . . ?
C23 Si26 C79 C10 179.7(2) . . . . ?
C23 Si26 C79 C18 -60.9(2) . . . . ?
C23 Si26 C79 C91 59.4(2) . . . . ?
C27 C55 C68 C44 -0.4(3) . . . . ?
C31 P46 C61 C65 50.56(18) . . . . ?
C31 P46 C61 C69 -131.49(16) . . . . ?
C31 P46 C63 C21 64.09(16) . . . . ?
C31 P46 C63 C42 -174.77(14) . . . . ?
C31 C44 C68 C55 -1.4(3) . . . . ?
C33 C6 C40 C13 -176.75(16) . . . . ?
C33 C6 C40 C38 -52.5(2) . . . . ?
C33 C6 C73 C11 -58.0(2) . . . . ?
C33 C6 C73 C15 179.28(16) . . . . ?
C33 C6 C73 C70 62.7(2) . . . . ?
C33 C36 C42 C38 57.3(2) . . . . ?
C33 C36 C42 C56 -66.0(2) . . . . ?
C33 C36 C42 C63 167.34(15) . . . . ?
C35 C27 C55 C68 1.5(3) . . . . ?
C35 C31 C44 C68 2.0(3) . . . . ?
C36 C42 C63 P46 77.90(19) . . . . ?
C36 C42 C63 C21 -156.36(16) . . . . ?
C38 C42 C63 P46 -166.89(13) . . . . ?
C38 C42 C63 C21 -41.16(17) . . . . ?
C40 C6 C33 C36 53.3(2) . . . . ?
C40 C6 C73 C11 69.4(2) . . . . ?
C40 C6 C73 C15 -53.4(2) . . . . ?
C40 C6 C73 C70 -169.99(16) . . . . ?
C40 C13 C80 C15 58.0(2) . . . . ?
C40 C38 C42 C36 -60.9(2) . . . . ?
C40 C38 C42 C56 61.4(2) . . . . ?
C40 C38 C42 C63 178.00(15) . . . . ?
C40 C38 C94 C21 -162.50(17) . . . . ?
C42 C38 C40 C6 58.1(2) . . . . ?
C42 C38 C40 C13 -179.00(16) . . . . ?
C42 C38 C94 C21 -35.2(2) . . . . ?
C44 C31 C35 C27 -0.9(3) . . . . ?
C55 C27 C35 C31 -0.9(3) . . . . ?
C56 C42 C63 P46 -48.9(2) . . . . ?
C56 C42 C63 C21 76.8(2) . . . . ?
C61 P46 C31 C35 90.79(16) . . . . ?
C61 P46 C31 C44 -90.23(19) . . . . ?
C61 P46 C63 C21 175.52(14) . . . . ?
C61 P46 C63 C42 -63.34(16) . . . . ?
C63 P46 C31 C35 -157.53(15) . . . . ?
C63 P46 C31 C44 21.4(2) . . . . ?
C63 P46 C61 C65 -61.98(18) . . . . ?
C63 P46 C61 C69 115.97(16) . . . . ?
C63 C21 C94 C38 8.6(2) . . . . ?
C65 C5 C75 C64 0.7(4) . . . . ?
C65 C61 C69 C64 0.6(3) . . . . ?
C69 C61 C65 C5 -0.6(3) . . . . ?
C69 C64 C75 C5 -0.7(4) . . . . ?
C70 C72 C86 O34 171.48(17) . . . . ?
C70 C72 C86 C7 49.5(2) . . . . ?
C72 C70 C73 C6 175.39(17) . . . . ?
C72 C70 C73 C11 -63.3(2) . . . . ?
C72 C70 C73 C15 57.4(2) . . . . ?
C73 C6 C33 C36 -178.38(16) . . . . ?
C73 C6 C40 C13 55.0(2) . . . . ?
C73 C6 C40 C38 179.21(15) . . . . ?
C73 C15 C80 C13 -57.9(2) . . . . ?
C73 C70 C72 C86 -54.6(2) . . . . ?
C75 C5 C65 C61 0.0(3) . . . . ?
C75 C64 C69 C61 0.1(3) . . . . ?
C77 Si26 O34 C86 -48.02(19) . . . . ?
C77 Si26 C79 C10 -57.4(2) . . . . ?
C77 Si26 C79 C18 62.0(2) . . . . ?
C77 Si26 C79 C91 -177.7(2) . . . . ?
C79 Si26 O34 C86 -167.45(17) . . . . ?
C80 C13 C40 C6 -56.2(2) . . . . ?
C80 C13 C40 C38 -178.28(16) . . . . ?
C80 C15 C73 C6 54.8(2) . . . . ?
C80 C15 C73 C11 -67.3(2) . . . . ?
C80 C15 C73 C70 173.59(16) . . . . ?
C86 C7 C15 C73 56.6(2) . . . . ?
C86 C7 C15 C80 -175.50(17) . . . . ?
C94 C21 C63 P46 148.90(15) . . . . ?
C94 C21 C63 C42 20.7(2) . . . . ?
C94 C38 C40 C6 -179.18(17) . . . . ?
C94 C38 C40 C13 -56.3(2) . . . . ?
C94 C38 C42 C36 168.35(16) . . . . ?
C94 C38 C42 C56 -69.3(2) . . . . ?
C94 C38 C42 C63 47.27(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.166
_oxdiff_exptl_absorpt_empirical_full_min 0.626
