data_kjf276
_audit_creation_date               2019-07-17
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2014/7'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
1.	Bruker (2013). SAINT v8.37A, Bruker AXS Inc., Madison, WI, USA. 
2.	Bruker (2016). APEX3 v2016.9-0, Bruker AXS Inc., Madison, WI, USA. 
3.	Bruker (2016/2). SADABS, Bruker AXS Inc., Madison, WI, USA. 
4.	Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. and Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. 
5.	Sheldrick, G.M. (2008). Acta Cryst. A64, 112-122. 
6.	Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic         
 9-[(Triisopropylsilyl)ethynyl]-10-[(trimethylsilyl)ethynyl]-triptycene
_chemical_formula_moiety           'C18 H21 Si'
_chemical_formula_sum              'C18 H21 Si'
_chemical_formula_weight           265.44
_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'
 '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        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                     10.9626(4)
_cell_length_b                     11.8640(4)
_cell_length_c                     12.8821(5)
_cell_angle_alpha                  90.244(2)
_cell_angle_beta                   93.352(2)
_cell_angle_gamma                  98.157(2)
_cell_volume                       1655.53(10)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9987
_cell_measurement_temperature      100(2)
_cell_measurement_theta_max        66.81
_cell_measurement_theta_min        3.44
_shelx_estimated_absorpt_T_max     0.851
_shelx_estimated_absorpt_T_min     0.731
_exptl_absorpt_coefficient_mu      1.112
_exptl_absorpt_correction_T_max    0.7528
_exptl_absorpt_correction_T_min    0.5879
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details    
 'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1167 before and 0.0887 after correction. The Ratio of minimum to maximum transmission is 0.7810. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              white
_exptl_crystal_colour_primary      white
_exptl_crystal_density_diffrn      1.065
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      'not measured'
_exptl_crystal_description         Needle
_exptl_crystal_F_000               572
_exptl_crystal_size_max            0.3
_exptl_crystal_size_mid            0.15
_exptl_crystal_size_min            0.15
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0696
_diffrn_reflns_av_unetI/netI       0.0442
_diffrn_reflns_Laue_measured_fraction_full  0.984
_diffrn_reflns_Laue_measured_fraction_max  0.984
_diffrn_reflns_limit_h_max         12
_diffrn_reflns_limit_h_min         -12
_diffrn_reflns_limit_k_max         14
_diffrn_reflns_limit_k_min         -14
_diffrn_reflns_limit_l_max         15
_diffrn_reflns_limit_l_min         -15
_diffrn_reflns_number              36162
_diffrn_reflns_point_group_measured_fraction_full  0.984
_diffrn_reflns_point_group_measured_fraction_max  0.984
_diffrn_reflns_theta_full          66.908
_diffrn_reflns_theta_max           66.907
_diffrn_reflns_theta_min           3.437
_diffrn_ambient_temperature        100(2)
_diffrn_detector                   'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean   7.9
_diffrn_detector_type              'CCD area detector'
_diffrn_measured_fraction_theta_full  0.984
_diffrn_measured_fraction_theta_max  0.984
_diffrn_measurement_device         'three-circle diffractometer'
_diffrn_measurement_device_type    'Bruker SMART APEX2 area detector'
_diffrn_measurement_method         'ω and φ scans'
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     'microfocus sealed X-ray tube'
_diffrn_source_type                'Incoatec I\ms'
_diffrn_special_details            ?
_diffrn_standards_number           0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  4397
_reflns_number_total               5788
_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 v8.37A (Bruker, 2015)'
_computing_data_collection         'APEX 3 (Bruker, 2016) '
_computing_data_reduction          'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'XL (Sheldrick, 2008)'
_computing_structure_solution      'XT (Sheldrick, 2015)'
_refine_diff_density_max           0.941
_refine_diff_density_min           -0.446
_refine_diff_density_rms           0.065
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.058
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       403
_refine_ls_number_reflns           5788
_refine_ls_number_restraints       6
_refine_ls_R_factor_all            0.0972
_refine_ls_R_factor_gt             0.0808
_refine_ls_restrained_S_all        1.058
_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)+(0.1461P)²+1.0999P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.2360
_refine_ls_wR_factor_ref           0.2531
_refine_special_details           
 'The three methyl groups on the TMS moiety was modelled over two position in a 55:45% occupancy. Two of the isopropyl group carbon atoms C24 and C26 were two positions in a 50:50% occupancy.'
_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. Uiso/Uaniso restraints and constraints
C9A \\sim C4A: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002
3. Others
 Sof(C30B)=Sof(H30D)=Sof(H30E)=Sof(H30F)=Sof(C31B)=Sof(H31D)=Sof(H31E)=
 Sof(H31F)=Sof(C32B)=Sof(H32D)=Sof(H32E)=Sof(H32F)=1-FVAR(1)
 Sof(C30)=Sof(H30A)=Sof(H30B)=Sof(H30C)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=
 Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=FVAR(1)
 Fixed Sof: H22A(0.5) H22(0.5) C24(0.5) H24A(0.5) H24B(0.5) H24C(0.5)
 C24B(0.5) H24D(0.5) H24E(0.5) H24F(0.5) H25A(0.5) H25(0.5) C26(0.5) H26A(0.5)
 H26B(0.5) H26C(0.5) C26B(0.5) H26D(0.5) H26E(0.5) H26F(0.5)
4.a Ternary CH refined with riding coordinates:
 C19(H19), C22(H22A), C22(H22), C25(H25A), C25(H25)
4.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C13(H13),
 C14(H14), C15(H15), C16(H16)
4.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C24B(H24D,H24E,H24F), C26(H26A,H26B,H26C), C26B(H26D,H26E,H26F),
 C27(H27A,H27B,H27C), C30(H30A,H30B,H30C), C30B(H30D,H30E,H30F), C31(H31A,H31B,
 H31C), C31B(H31D,H31E,H31F), C32(H32A,H32B,H32C), C32B(H32D,H32E,H32F)
;
_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
 C1 C 0.8445(3) 0.1869(3) 0.6248(3) 0.0553(8) Uani 1 1 d . . . . .
 H1 H 0.8888 0.1935 0.5634 0.066 Uiso 1 1 calc R . . . .
 Si2 Si 0.31720(10) 0.22711(10) 0.98774(9) 0.0697(4) Uani 1 1 d . . . . .
 C2 C 0.8955(4) 0.1440(3) 0.7148(3) 0.0628(10) Uani 1 1 d . . . . .
 H2 H 0.9754 0.1217 0.7153 0.075 Uiso 1 1 calc R . . . .
 Si1 Si 0.88794(9) 0.33467(8) 0.25303(8) 0.0577(3) Uani 1 1 d . . . . .
 C3 C 0.8310(4) 0.1336(3) 0.8025(3) 0.0659(11) Uani 1 1 d . . . . .
 H3 H 0.8665 0.1033 0.8634 0.079 Uiso 1 1 calc R . . . .
 C4 C 0.7125(4) 0.1671(3) 0.8046(3) 0.0591(9) Uani 1 1 d . . . . .
 H4 H 0.6681 0.1600 0.8659 0.071 Uiso 1 1 calc R . . . .
 C4A C 0.6631(3) 0.2106(2) 0.7146(3) 0.0506(6) Uani 1 1 d . U . . .
 C5 C 0.5348(3) 0.4731(3) 0.7100(3) 0.0498(8) Uani 1 1 d . . . . .
 H5 H 0.4896 0.4670 0.7710 0.060 Uiso 1 1 calc R . . . .
 C6 C 0.5697(3) 0.5790(2) 0.6659(3) 0.0519(8) Uani 1 1 d . . . . .
 H6 H 0.5488 0.6457 0.6973 0.062 Uiso 1 1 calc R . . . .
 C7 C 0.6346(3) 0.5877(2) 0.5767(3) 0.0473(7) Uani 1 1 d . . . . .
 H7 H 0.6575 0.6603 0.5471 0.057 Uiso 1 1 calc R . . . .
 C8 C 0.6668(3) 0.4906(2) 0.5298(3) 0.0455(7) Uani 1 1 d . . . . .
 H8 H 0.7116 0.4965 0.4687 0.055 Uiso 1 1 calc R . . . .
 C8A C 0.6321(3) 0.3855(2) 0.5739(2) 0.0438(7) Uani 1 1 d . . . . .
 C9 C 0.6607(3) 0.2701(2) 0.5326(3) 0.0457(7) Uani 1 1 d . . . . .
 C9A C 0.7288(3) 0.2200(2) 0.6254(3) 0.0498(6) Uani 1 1 d . U . . .
 C10 C 0.5360(3) 0.2534(2) 0.7021(3) 0.0481(7) Uani 1 1 d . . . . .
 C10A C 0.5669(3) 0.3769(2) 0.6637(2) 0.0461(7) Uani 1 1 d . . . . .
 C11 C 0.4682(3) 0.1866(2) 0.6080(3) 0.0462(7) Uani 1 1 d . . . . .
 C12 C 0.5338(3) 0.1947(2) 0.5191(3) 0.0443(7) Uani 1 1 d . . . . .
 C13 C 0.4856(3) 0.1388(2) 0.4276(3) 0.0464(7) Uani 1 1 d . . . . .
 H13 H 0.5314 0.1434 0.3671 0.056 Uiso 1 1 calc R . . . .
 C14 C 0.3674(3) 0.0751(2) 0.4271(3) 0.0499(8) Uani 1 1 d . . . . .
 H14 H 0.3325 0.0364 0.3653 0.060 Uiso 1 1 calc R . . . .
 C15 C 0.3016(3) 0.0681(3) 0.5152(3) 0.0524(8) Uani 1 1 d . . . . .
 H15 H 0.2214 0.0253 0.5134 0.063 Uiso 1 1 calc R . . . .
 C16 C 0.3515(3) 0.1235(2) 0.6073(3) 0.0504(8) Uani 1 1 d . . . . .
 H16 H 0.3064 0.1179 0.6683 0.061 Uiso 1 1 calc R . . . .
 C17 C 0.7299(3) 0.2813(2) 0.4396(3) 0.0487(8) Uani 1 1 d . . . . .
 C18 C 0.7897(3) 0.2949(3) 0.3633(3) 0.0545(8) Uani 1 1 d . . . . .
 C19 C 0.9940(4) 0.2263(4) 0.2375(4) 0.0884(14) Uani 1 1 d . . . . .
 H19 H 1.0537 0.2559 0.1849 0.106 Uiso 1 1 calc R . . . .
 C20 C 0.9271(6) 0.1132(5) 0.1972(6) 0.121(2) Uani 1 1 d . . . . .
 H20A H 0.8671 0.0821 0.2468 0.182 Uiso 1 1 calc GR . . . .
 H20B H 0.9868 0.0603 0.1886 0.182 Uiso 1 1 calc GR . . . .
 H20C H 0.8840 0.1240 0.1299 0.182 Uiso 1 1 calc GR . . . .
 C21 C 1.0678(5) 0.2111(7) 0.3376(6) 0.135(3) Uani 1 1 d . . . . .
 H21A H 1.0204 0.1547 0.3804 0.203 Uiso 1 1 calc GR . . . .
 H21B H 1.0853 0.2840 0.3755 0.203 Uiso 1 1 calc GR . . . .
 H21C H 1.1456 0.1849 0.3220 0.203 Uiso 1 1 calc GR . . . .
 C22 C 0.9728(5) 0.4805(4) 0.2868(3) 0.0830(14) Uani 1 1 d . . . . .
 H22A H 0.9161 0.5362 0.2647 0.100 Uiso 0.5 1 calc R . P A 2
 H22 H 0.9997 0.4798 0.3622 0.100 Uiso 0.5 1 calc R . P B 1
 C23 C 1.0895(5) 0.5102(4) 0.2275(4) 0.0874(14) Uani 1 1 d . . . . .
 H23A H 1.1489 0.4588 0.2483 0.131 Uiso 1 1 calc GR . . . .
 H23B H 1.1260 0.5890 0.2436 0.131 Uiso 1 1 calc GR . . . .
 H23C H 1.0684 0.5017 0.1526 0.131 Uiso 1 1 calc GR . . . .
 C24 C 0.8672(9) 0.5762(7) 0.2735(8) 0.080(2) Uani 0.5 1 d . . P C 1
 H24A H 0.8992 0.6462 0.3127 0.120 Uiso 0.5 1 calc GR . P C 1
 H24B H 0.7887 0.5424 0.3004 0.120 Uiso 0.5 1 calc GR . P C 1
 H24C H 0.8542 0.5941 0.1998 0.120 Uiso 0.5 1 calc GR . P C 1
 C24B C 1.0054(9) 0.5017(8) 0.3959(7) 0.088(3) Uani 0.5 1 d . . P C 2
 H24D H 1.0637 0.4508 0.4203 0.131 Uiso 0.5 1 calc GR . P C 2
 H24E H 0.9309 0.4877 0.4351 0.131 Uiso 0.5 1 calc GR . P C 2
 H24F H 1.0437 0.5810 0.4064 0.131 Uiso 0.5 1 calc GR . P C 2
 C25 C 0.7815(4) 0.3389(4) 0.1319(3) 0.0684(10) Uani 1 1 d . . . . .
 H25A H 0.7373 0.2595 0.1218 0.082 Uiso 0.5 1 calc R . P D 2
 H25 H 0.7400 0.4074 0.1429 0.082 Uiso 0.5 1 calc R . P E 1
 C26 C 0.6747(8) 0.2394(12) 0.1234(8) 0.106(4) Uani 0.5 1 d . . P F 1
 H26A H 0.6294 0.2414 0.0557 0.159 Uiso 0.5 1 calc GR . P F 1
 H26B H 0.6187 0.2464 0.1789 0.159 Uiso 0.5 1 calc GR . P F 1
 H26C H 0.7079 0.1672 0.1302 0.159 Uiso 0.5 1 calc GR . P F 1
 C26B C 0.6840(9) 0.4107(10) 0.1505(8) 0.090(3) Uani 0.5 1 d . . P F 2
 H26D H 0.6411 0.3839 0.2124 0.135 Uiso 0.5 1 calc GR . P F 2
 H26E H 0.6247 0.4053 0.0901 0.135 Uiso 0.5 1 calc GR . P F 2
 H26F H 0.7218 0.4901 0.1613 0.135 Uiso 0.5 1 calc GR . P F 2
 C27 C 0.8498(5) 0.3651(5) 0.0340(4) 0.0873(14) Uani 1 1 d . . . . .
 H27A H 0.9053 0.3085 0.0243 0.131 Uiso 1 1 calc GR . . . .
 H27B H 0.8980 0.4412 0.0403 0.131 Uiso 1 1 calc GR . . . .
 H27C H 0.7902 0.3625 -0.0260 0.131 Uiso 1 1 calc GR . . . .
 C28 C 0.4677(3) 0.2441(3) 0.7955(3) 0.0522(8) Uani 1 1 d . . . . .
 C29 C 0.4093(4) 0.2369(3) 0.8727(3) 0.0595(9) Uani 1 1 d . . . . .
 C30 C 0.1505(11) 0.211(2) 0.9259(13) 0.095(5) Uani 0.455(17) 1 d . . P G 1
 H30A H 0.0922 0.1847 0.9786 0.142 Uiso 0.455(17) 1 calc GR . P G 1
 H30B H 0.1417 0.1547 0.8688 0.142 Uiso 0.455(17) 1 calc GR . P G 1
 H30C H 0.1331 0.2842 0.8990 0.142 Uiso 0.455(17) 1 calc GR . P G 1
 C30B C 0.1620(15) 0.1538(16) 0.9665(13) 0.112(5) Uani 0.545(17) 1 d . . P G 2
 H30D H 0.1163 0.1948 0.9150 0.168 Uiso 0.545(17) 1 calc GR . P G 2
 H30E H 0.1206 0.1504 1.0321 0.168 Uiso 0.545(17) 1 calc GR . P G 2
 H30F H 0.1645 0.0763 0.9410 0.168 Uiso 0.545(17) 1 calc GR . P G 2
 C31 C 0.3449(13) 0.0938(10) 1.0509(10) 0.084(4) Uani 0.455(17) 1 d . . P G 1
 H31A H 0.4335 0.0960 1.0680 0.126 Uiso 0.455(17) 1 calc GR . P G 1
 H31B H 0.3157 0.0294 1.0036 0.126 Uiso 0.455(17) 1 calc GR . P G 1
 H31C H 0.3004 0.0848 1.1148 0.126 Uiso 0.455(17) 1 calc GR . P G 1
 C31B C 0.4020(12) 0.1532(12) 1.0993(9) 0.103(4) Uani 0.545(17) 1 d . . P G 2
 H31D H 0.4178 0.0785 1.0751 0.155 Uiso 0.545(17) 1 calc GR . P G 2
 H31E H 0.3504 0.1436 1.1591 0.155 Uiso 0.545(17) 1 calc GR . P G 2
 H31F H 0.4806 0.2004 1.1199 0.155 Uiso 0.545(17) 1 calc GR . P G 2
 C32 C 0.359(2) 0.3506(16) 1.0593(15) 0.085(4) Uani 0.455(17) 1 d . . P G 1
 H32A H 0.3461 0.4161 1.0161 0.128 Uiso 0.455(17) 1 calc GR . P G 1
 H32B H 0.4466 0.3568 1.0828 0.128 Uiso 0.455(17) 1 calc GR . P G 1
 H32C H 0.3089 0.3492 1.1198 0.128 Uiso 0.455(17) 1 calc GR . P G 1
 C32B C 0.3137(15) 0.3801(15) 1.0446(12) 0.086(4) Uani 0.545(17) 1 d . . P G 2
 H32D H 0.2474 0.4143 1.0079 0.128 Uiso 0.545(17) 1 calc GR . P G 2
 H32E H 0.3931 0.4275 1.0354 0.128 Uiso 0.545(17) 1 calc GR . P G 2
 H32F H 0.2989 0.3751 1.1188 0.128 Uiso 0.545(17) 1 calc GR . P G 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
 C1 H1 0.9500 . ?
 C1 C2 1.387(5) . ?
 C1 C9A 1.381(5) . ?
 Si2 C29 1.837(4) . ?
 Si2 C30 1.934(12) . ?
 Si2 C30B 1.803(15) . ?
 Si2 C31 1.837(10) . ?
 Si2 C31B 1.945(10) . ?
 Si2 C32 1.719(19) . ?
 Si2 C32B 1.961(17) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.364(6) . ?
 Si1 C18 1.855(4) . ?
 Si1 C19 1.869(5) . ?
 Si1 C22 1.881(4) . ?
 Si1 C25 1.898(4) . ?
 C3 H3 0.9500 . ?
 C3 C4 1.413(6) . ?
 C4 H4 0.9500 . ?
 C4 C4A 1.383(5) . ?
 C4A C9A 1.389(5) . ?
 C4A C10 1.549(5) . ?
 C5 H5 0.9500 . ?
 C5 C6 1.394(4) . ?
 C5 C10A 1.383(5) . ?
 C6 H6 0.9500 . ?
 C6 C7 1.383(5) . ?
 C7 H7 0.9500 . ?
 C7 C8 1.397(4) . ?
 C8 H8 0.9500 . ?
 C8 C8A 1.385(4) . ?
 C8A C9 1.546(4) . ?
 C8A C10A 1.391(5) . ?
 C9 C9A 1.538(4) . ?
 C9 C12 1.544(4) . ?
 C9 C17 1.452(5) . ?
 C10 C10A 1.546(4) . ?
 C10 C11 1.539(4) . ?
 C10 C28 1.451(5) . ?
 C11 C12 1.384(5) . ?
 C11 C16 1.388(4) . ?
 C12 C13 1.388(4) . ?
 C13 H13 0.9500 . ?
 C13 C14 1.404(4) . ?
 C14 H14 0.9500 . ?
 C14 C15 1.377(5) . ?
 C15 H15 0.9500 . ?
 C15 C16 1.397(5) . ?
 C16 H16 0.9500 . ?
 C17 C18 1.212(5) . ?
 C19 H19 1.0000 . ?
 C19 C20 1.509(8) . ?
 C19 C21 1.507(8) . ?
 C20 H20A 0.9800 . ?
 C20 H20B 0.9800 . ?
 C20 H20C 0.9800 . ?
 C21 H21A 0.9800 . ?
 C21 H21B 0.9800 . ?
 C21 H21C 0.9800 . ?
 C22 H22A 1.0000 . ?
 C22 H22 1.0000 . ?
 C22 C23 1.527(6) . ?
 C22 C24 1.735(11) . ?
 C22 C24B 1.442(10) . ?
 C23 H23A 0.9800 . ?
 C23 H23B 0.9800 . ?
 C23 H23C 0.9800 . ?
 C24 H24A 0.9800 . ?
 C24 H24B 0.9800 . ?
 C24 H24C 0.9800 . ?
 C24B H24D 0.9800 . ?
 C24B H24E 0.9800 . ?
 C24B H24F 0.9800 . ?
 C25 H25A 1.0000 . ?
 C25 H25 1.0000 . ?
 C25 C26 1.539(11) . ?
 C25 C26B 1.488(10) . ?
 C25 C27 1.515(6) . ?
 C26 H26A 0.9800 . ?
 C26 H26B 0.9800 . ?
 C26 H26C 0.9800 . ?
 C26B H26D 0.9800 . ?
 C26B H26E 0.9800 . ?
 C26B H26F 0.9800 . ?
 C27 H27A 0.9800 . ?
 C27 H27B 0.9800 . ?
 C27 H27C 0.9800 . ?
 C28 C29 1.211(5) . ?
 C30 H30A 0.9800 . ?
 C30 H30B 0.9800 . ?
 C30 H30C 0.9800 . ?
 C30B H30D 0.9800 . ?
 C30B H30E 0.9800 . ?
 C30B H30F 0.9800 . ?
 C31 H31A 0.9800 . ?
 C31 H31B 0.9800 . ?
 C31 H31C 0.9800 . ?
 C31B H31D 0.9800 . ?
 C31B H31E 0.9800 . ?
 C31B H31F 0.9800 . ?
 C32 H32A 0.9800 . ?
 C32 H32B 0.9800 . ?
 C32 H32C 0.9800 . ?
 C32B H32D 0.9800 . ?
 C32B H32E 0.9800 . ?
 C32B H32F 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
 C2 C1 H1 120.3 . . ?
 C9A C1 H1 120.3 . . ?
 C9A C1 C2 119.3(4) . . ?
 C29 Si2 C30 102.1(5) . . ?
 C29 Si2 C31 105.4(4) . . ?
 C29 Si2 C31B 109.5(4) . . ?
 C29 Si2 C32B 109.6(6) . . ?
 C30B Si2 C29 115.0(5) . . ?
 C30B Si2 C31B 109.1(6) . . ?
 C30B Si2 C32B 109.9(7) . . ?
 C31 Si2 C30 109.7(7) . . ?
 C31B Si2 C32B 103.1(6) . . ?
 C32 Si2 C29 107.6(8) . . ?
 C32 Si2 C30 113.9(8) . . ?
 C32 Si2 C31 116.8(7) . . ?
 C1 C2 H2 119.9 . . ?
 C3 C2 C1 120.2(4) . . ?
 C3 C2 H2 119.9 . . ?
 C18 Si1 C19 109.4(2) . . ?
 C18 Si1 C22 105.52(17) . . ?
 C18 Si1 C25 107.50(17) . . ?
 C19 Si1 C22 112.8(2) . . ?
 C19 Si1 C25 110.6(2) . . ?
 C22 Si1 C25 110.9(2) . . ?
 C2 C3 H3 119.4 . . ?
 C2 C3 C4 121.3(3) . . ?
 C4 C3 H3 119.4 . . ?
 C3 C4 H4 121.0 . . ?
 C4A C4 C3 118.0(4) . . ?
 C4A C4 H4 121.0 . . ?
 C4 C4A C9A 120.4(3) . . ?
 C4 C4A C10 125.6(3) . . ?
 C9A C4A C10 114.0(3) . . ?
 C6 C5 H5 120.5 . . ?
 C10A C5 H5 120.5 . . ?
 C10A C5 C6 119.0(3) . . ?
 C5 C6 H6 119.7 . . ?
 C7 C6 C5 120.5(3) . . ?
 C7 C6 H6 119.7 . . ?
 C6 C7 H7 119.8 . . ?
 C6 C7 C8 120.4(3) . . ?
 C8 C7 H7 119.8 . . ?
 C7 C8 H8 120.6 . . ?
 C8A C8 C7 118.9(3) . . ?
 C8A C8 H8 120.6 . . ?
 C8 C8A C9 125.6(3) . . ?
 C8 C8A C10A 120.6(3) . . ?
 C10A C8A C9 113.9(2) . . ?
 C9A C9 C8A 104.3(2) . . ?
 C9A C9 C12 105.4(2) . . ?
 C12 C9 C8A 104.8(2) . . ?
 C17 C9 C8A 112.9(2) . . ?
 C17 C9 C9A 113.7(3) . . ?
 C17 C9 C12 114.7(3) . . ?
 C1 C9A C4A 120.8(3) . . ?
 C1 C9A C9 125.5(3) . . ?
 C4A C9A C9 113.7(3) . . ?
 C10A C10 C4A 104.1(2) . . ?
 C11 C10 C4A 105.1(3) . . ?
 C11 C10 C10A 104.9(2) . . ?
 C28 C10 C4A 113.9(3) . . ?
 C28 C10 C10A 113.7(3) . . ?
 C28 C10 C11 114.0(3) . . ?
 C5 C10A C8A 120.6(3) . . ?
 C5 C10A C10 125.8(3) . . ?
 C8A C10A C10 113.6(3) . . ?
 C12 C11 C10 114.0(3) . . ?
 C12 C11 C16 120.6(3) . . ?
 C16 C11 C10 125.4(3) . . ?
 C11 C12 C9 113.9(3) . . ?
 C11 C12 C13 121.1(3) . . ?
 C13 C12 C9 125.0(3) . . ?
 C12 C13 H13 120.9 . . ?
 C12 C13 C14 118.2(3) . . ?
 C14 C13 H13 120.9 . . ?
 C13 C14 H14 119.6 . . ?
 C15 C14 C13 120.7(3) . . ?
 C15 C14 H14 119.6 . . ?
 C14 C15 H15 119.7 . . ?
 C14 C15 C16 120.7(3) . . ?
 C16 C15 H15 119.7 . . ?
 C11 C16 C15 118.7(3) . . ?
 C11 C16 H16 120.6 . . ?
 C15 C16 H16 120.6 . . ?
 C18 C17 C9 177.4(3) . . ?
 C17 C18 Si1 172.6(3) . . ?
 Si1 C19 H19 107.4 . . ?
 C20 C19 Si1 112.7(4) . . ?
 C20 C19 H19 107.4 . . ?
 C21 C19 Si1 111.3(5) . . ?
 C21 C19 H19 107.4 . . ?
 C21 C19 C20 110.6(5) . . ?
 C19 C20 H20A 109.5 . . ?
 C19 C20 H20B 109.5 . . ?
 C19 C20 H20C 109.5 . . ?
 H20A C20 H20B 109.5 . . ?
 H20A C20 H20C 109.5 . . ?
 H20B C20 H20C 109.5 . . ?
 C19 C21 H21A 109.5 . . ?
 C19 C21 H21B 109.5 . . ?
 C19 C21 H21C 109.5 . . ?
 H21A C21 H21B 109.5 . . ?
 H21A C21 H21C 109.5 . . ?
 H21B C21 H21C 109.5 . . ?
 Si1 C22 H22A 106.7 . . ?
 Si1 C22 H22 106.8 . . ?
 C23 C22 Si1 113.0(3) . . ?
 C23 C22 H22A 106.7 . . ?
 C23 C22 H22 106.8 . . ?
 C23 C22 C24 115.3(5) . . ?
 C24 C22 Si1 107.6(4) . . ?
 C24 C22 H22 106.8 . . ?
 C24B C22 Si1 115.4(4) . . ?
 C24B C22 H22A 106.7 . . ?
 C24B C22 C23 108.0(5) . . ?
 C22 C23 H23A 109.5 . . ?
 C22 C23 H23B 109.5 . . ?
 C22 C23 H23C 109.5 . . ?
 H23A C23 H23B 109.5 . . ?
 H23A C23 H23C 109.5 . . ?
 H23B C23 H23C 109.5 . . ?
 C22 C24 H24A 109.5 . . ?
 C22 C24 H24B 109.5 . . ?
 C22 C24 H24C 109.5 . . ?
 H24A C24 H24B 109.5 . . ?
 H24A C24 H24C 109.5 . . ?
 H24B C24 H24C 109.5 . . ?
 C22 C24B H24D 109.5 . . ?
 C22 C24B H24E 109.5 . . ?
 C22 C24B H24F 109.5 . . ?
 H24D C24B H24E 109.5 . . ?
 H24D C24B H24F 109.5 . . ?
 H24E C24B H24F 109.5 . . ?
 Si1 C25 H25A 105.5 . . ?
 Si1 C25 H25 104.1 . . ?
 C26 C25 Si1 113.6(5) . . ?
 C26 C25 H25 104.1 . . ?
 C26B C25 Si1 110.5(5) . . ?
 C26B C25 H25A 105.5 . . ?
 C26B C25 C27 115.4(5) . . ?
 C27 C25 Si1 113.4(3) . . ?
 C27 C25 H25A 105.5 . . ?
 C27 C25 H25 104.1 . . ?
 C27 C25 C26 115.9(5) . . ?
 C25 C26 H26A 109.5 . . ?
 C25 C26 H26B 109.5 . . ?
 C25 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C25 C26B H26D 109.5 . . ?
 C25 C26B H26E 109.5 . . ?
 C25 C26B H26F 109.5 . . ?
 H26D C26B H26E 109.5 . . ?
 H26D C26B H26F 109.5 . . ?
 H26E C26B H26F 109.5 . . ?
 C25 C27 H27A 109.5 . . ?
 C25 C27 H27B 109.5 . . ?
 C25 C27 H27C 109.5 . . ?
 H27A C27 H27B 109.5 . . ?
 H27A C27 H27C 109.5 . . ?
 H27B C27 H27C 109.5 . . ?
 C29 C28 C10 179.0(4) . . ?
 C28 C29 Si2 178.5(3) . . ?
 Si2 C30 H30A 109.5 . . ?
 Si2 C30 H30B 109.5 . . ?
 Si2 C30 H30C 109.5 . . ?
 H30A C30 H30B 109.5 . . ?
 H30A C30 H30C 109.5 . . ?
 H30B C30 H30C 109.5 . . ?
 Si2 C30B H30D 109.5 . . ?
 Si2 C30B H30E 109.5 . . ?
 Si2 C30B H30F 109.5 . . ?
 H30D C30B H30E 109.5 . . ?
 H30D C30B H30F 109.5 . . ?
 H30E C30B H30F 109.5 . . ?
 Si2 C31 H31A 109.5 . . ?
 Si2 C31 H31B 109.5 . . ?
 Si2 C31 H31C 109.5 . . ?
 H31A C31 H31B 109.5 . . ?
 H31A C31 H31C 109.5 . . ?
 H31B C31 H31C 109.5 . . ?
 Si2 C31B H31D 109.5 . . ?
 Si2 C31B H31E 109.5 . . ?
 Si2 C31B H31F 109.5 . . ?
 H31D C31B H31E 109.5 . . ?
 H31D C31B H31F 109.5 . . ?
 H31E C31B H31F 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 C32B H32D 109.5 . . ?
 Si2 C32B H32E 109.5 . . ?
 Si2 C32B H32F 109.5 . . ?
 H32D C32B H32E 109.5 . . ?
 H32D C32B H32F 109.5 . . ?
 H32E C32B H32F 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
 C1 C2 C3 C4 -0.7(5) . . . . ?
 C2 C1 C9A C4A -0.2(5) . . . . ?
 C2 C1 C9A C9 179.4(3) . . . . ?
 C2 C3 C4 C4A 0.2(5) . . . . ?
 C3 C4 C4A C9A 0.3(5) . . . . ?
 C3 C4 C4A C10 -179.0(3) . . . . ?
 C4 C4A C9A C1 -0.3(4) . . . . ?
 C4 C4A C9A C9 -179.9(3) . . . . ?
 C4 C4A C10 C10A 124.1(3) . . . . ?
 C4 C4A C10 C11 -125.9(3) . . . . ?
 C4 C4A C10 C28 -0.3(4) . . . . ?
 C4A C10 C10A C5 -124.9(3) . . . . ?
 C4A C10 C10A C8A 55.6(3) . . . . ?
 C4A C10 C11 C12 -54.0(3) . . . . ?
 C4A C10 C11 C16 126.6(3) . . . . ?
 C5 C6 C7 C8 -0.4(5) . . . . ?
 C6 C5 C10A C8A -0.6(5) . . . . ?
 C6 C5 C10A C10 179.9(3) . . . . ?
 C6 C7 C8 C8A 0.3(4) . . . . ?
 C7 C8 C8A C9 -179.6(3) . . . . ?
 C7 C8 C8A C10A -0.3(4) . . . . ?
 C8 C8A C9 C9A 124.0(3) . . . . ?
 C8 C8A C9 C12 -125.5(3) . . . . ?
 C8 C8A C9 C17 0.0(4) . . . . ?
 C8 C8A C10A C5 0.5(4) . . . . ?
 C8 C8A C10A C10 -180.0(3) . . . . ?
 C8A C9 C9A C1 -123.7(3) . . . . ?
 C8A C9 C9A C4A 55.9(3) . . . . ?
 C8A C9 C12 C11 -54.6(3) . . . . ?
 C8A C9 C12 C13 125.2(3) . . . . ?
 C9 C8A C10A C5 179.9(3) . . . . ?
 C9 C8A C10A C10 -0.6(4) . . . . ?
 C9 C12 C13 C14 -178.7(3) . . . . ?
 C9A C1 C2 C3 0.7(5) . . . . ?
 C9A C4A C10 C10A -55.2(3) . . . . ?
 C9A C4A C10 C11 54.8(3) . . . . ?
 C9A C4A C10 C28 -179.7(2) . . . . ?
 C9A C9 C12 C11 55.2(3) . . . . ?
 C9A C9 C12 C13 -125.0(3) . . . . ?
 C10 C4A C9A C1 179.0(3) . . . . ?
 C10 C4A C9A C9 -0.6(3) . . . . ?
 C10 C11 C12 C9 -0.6(3) . . . . ?
 C10 C11 C12 C13 179.6(3) . . . . ?
 C10 C11 C16 C15 179.4(3) . . . . ?
 C10A C5 C6 C7 0.5(5) . . . . ?
 C10A C8A C9 C9A -55.4(3) . . . . ?
 C10A C8A C9 C12 55.1(3) . . . . ?
 C10A C8A C9 C17 -179.4(3) . . . . ?
 C10A C10 C11 C12 55.5(3) . . . . ?
 C10A C10 C11 C16 -123.9(3) . . . . ?
 C11 C10 C10A C5 124.9(3) . . . . ?
 C11 C10 C10A C8A -54.6(3) . . . . ?
 C11 C12 C13 C14 1.1(4) . . . . ?
 C12 C9 C9A C1 126.2(3) . . . . ?
 C12 C9 C9A C4A -54.2(3) . . . . ?
 C12 C11 C16 C15 0.1(4) . . . . ?
 C12 C13 C14 C15 -0.3(4) . . . . ?
 C13 C14 C15 C16 -0.6(5) . . . . ?
 C14 C15 C16 C11 0.7(5) . . . . ?
 C16 C11 C12 C9 178.8(3) . . . . ?
 C16 C11 C12 C13 -1.0(4) . . . . ?
 C17 C9 C9A C1 -0.2(4) . . . . ?
 C17 C9 C9A C4A 179.3(2) . . . . ?
 C17 C9 C12 C11 -178.9(2) . . . . ?
 C17 C9 C12 C13 0.8(4) . . . . ?
 C18 Si1 C19 C20 70.3(5) . . . . ?
 C18 Si1 C19 C21 -54.6(4) . . . . ?
 C18 Si1 C22 C23 159.3(3) . . . . ?
 C18 Si1 C22 C24 -72.2(4) . . . . ?
 C18 Si1 C22 C24B 34.4(6) . . . . ?
 C18 Si1 C25 C26 -42.3(6) . . . . ?
 C18 Si1 C25 C26B 51.4(5) . . . . ?
 C18 Si1 C25 C27 -177.3(3) . . . . ?
 C19 Si1 C22 C23 40.0(4) . . . . ?
 C19 Si1 C22 C24 168.4(4) . . . . ?
 C19 Si1 C22 C24B -85.0(6) . . . . ?
 C19 Si1 C25 C26 77.0(6) . . . . ?
 C19 Si1 C25 C26B 170.7(5) . . . . ?
 C19 Si1 C25 C27 -58.0(4) . . . . ?
 C22 Si1 C19 C20 -172.7(4) . . . . ?
 C22 Si1 C19 C21 62.5(4) . . . . ?
 C22 Si1 C25 C26 -157.2(6) . . . . ?
 C22 Si1 C25 C26B -63.5(5) . . . . ?
 C22 Si1 C25 C27 67.8(4) . . . . ?
 C25 Si1 C19 C20 -47.9(5) . . . . ?
 C25 Si1 C19 C21 -172.7(4) . . . . ?
 C25 Si1 C22 C23 -84.6(4) . . . . ?
 C25 Si1 C22 C24 43.9(4) . . . . ?
 C25 Si1 C22 C24B 150.5(6) . . . . ?
 C28 C10 C10A C5 -0.3(4) . . . . ?
 C28 C10 C10A C8A -179.9(3) . . . . ?
 C28 C10 C11 C12 -179.5(3) . . . . ?
 C28 C10 C11 C16 1.2(4) . . . . ?

_olex2_submission_original_sample_id  GML-237
_olex2_submission_special_instructions  'No special instructions were received'
_vrf_PLAT094_kjf276
;
PROBLEM: Ratio of Maximum / Minimum Residual Density ....       2.11 Report
RESPONSE: This is due to weak high angle data and disorder in the structure.
;
_vrf_PLAT220_kjf276
;
PROBLEM: Non-Solvent  Resd 1  C   Ueq(max)/Ueq(min) Range        3.1 Ratio 
RESPONSE: This is due to weak high angle data and disorder in the structure.
;
_vrf_PLAT234_kjf276
;
PROBLEM: Large Hirshfeld Difference Si1      --C30B     .       0.18 Ang.  
RESPONSE: This is due to weak high angle data and disorder in the structure.
;
_vrf_PLAT242_kjf276
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        Si1 Check 
RESPONSE: This is due to weak high angle data and disorder in the structure.
;
_vrf_PLAT340_kjf276
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.00506 Ang.  
RESPONSE: This is due to weak high angle data and disorder in the structure.
;
_vrf_PLAT911_kjf276
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.597         88 Report
RESPONSE: The structure was collected to 98.35% completeness which results
in the missing reflections.
;
_vrf_PLAT978_kjf276
;
PROBLEM: Number C-C Bonds with Positive Residual Density.          0 Info  
RESPONSE: This is due to weak high angle data and disorder in the structure.
;
