data_rk-1-136_pl

_vrf_PLAT220_rk-1-136_pl

;
PROBLEM: Non-Solvent  Resd 1  C   Ueq(max)/Ueq(min) Range        6.8 Ratio 
RESPONSE: Likely related to the crystallographically imposed disorder.
;
_vrf_PLAT242_rk-1-136_pl
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        Si2 Check 
RESPONSE: This alert often appears for terminal groups. From the IUCR text,
"False alarms may occur for terminal groups such as the t-butyl moiety."

;

_audit_creation_date               2018-05-10
_audit_creation_method
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_shelx_SHELXL_version_number       '2018/1'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           '1(C27 H65 K1 O1 Si6 Sn1)'
_chemical_formula_sum              'C27 H65 K O Si6 Sn'
_chemical_formula_weight           732.10
_chemical_absolute_configuration   unk
_chemical_melting_point            ?
_chemical_oxdiff_formula           C27H62KOSi6Sn
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'
 'K' 'K' 0.2009 0.2494 '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'
 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sn' 'Sn' -0.6537 1.4246
 '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        'trigonal'
_space_group_IT_number             160
_space_group_name_H-M_alt          'R 3 m'
_space_group_name_Hall             'R 3 -2"'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-y, x-y, z'
 '-x+y, -x, z'
 '-y, -x, z'
 'x, x-y, z'
 '-x+y, y, z'
 'x+2/3, y+1/3, z+1/3'
 '-y+2/3, x-y+1/3, z+1/3'
 '-x+y+2/3, -x+1/3, z+1/3'
 '-y+2/3, -x+1/3, z+1/3'
 'x+2/3, x-y+1/3, z+1/3'
 '-x+y+2/3, y+1/3, z+1/3'
 'x+1/3, y+2/3, z+2/3'
 '-y+1/3, x-y+2/3, z+2/3'
 '-x+y+1/3, -x+2/3, z+2/3'
 '-y+1/3, -x+2/3, z+2/3'
 'x+1/3, x-y+2/3, z+2/3'
 '-x+y+1/3, y+2/3, z+2/3'

_cell_length_a                     17.1821(4)
_cell_length_b                     17.1821(4)
_cell_length_c                     13.6991(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       3502.5(2)
_cell_formula_units_Z              3.00006
_cell_measurement_reflns_used      14603
_cell_measurement_temperature      100.0(3)
_cell_measurement_theta_max        26.9410
_cell_measurement_theta_min        3.8930
_shelx_estimated_absorpt_T_max     0.917
_shelx_estimated_absorpt_T_min     0.857
_exptl_absorpt_coefficient_mu      0.805
_exptl_absorpt_correction_T_max    1.000
_exptl_absorpt_correction_T_min    0.766
_exptl_absorpt_correction_type     gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.041
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1164
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
 5 9 -16 0.0504
 19 -8 12 0.0540
 -17 -4 7 0.0220
 20 -22 0 0.0451
 1 -5 -19 0.0893
 6 11 -14 0.0644
 -14 22 -8 0.0765
 8 6 16 0.0647

_exptl_crystal_size_max            0.197
_exptl_crystal_size_mid            0.144
_exptl_crystal_size_min            0.109
loop_
  _exptl_oxdiff_crystal_face_indexfrac_h
  _exptl_oxdiff_crystal_face_indexfrac_k
  _exptl_oxdiff_crystal_face_indexfrac_l
  _exptl_oxdiff_crystal_face_x
  _exptl_oxdiff_crystal_face_y
  _exptl_oxdiff_crystal_face_z
 5.0000 9.0000 -16.0000 0.7424 0.0258 -0.6880
 19.0000 -8.0000 12.0000 0.4204 0.0304 0.9084
 -17.0000 -4.0000 7.0000 -0.9831 -0.0781 0.0535
 20.0000 -22.0000 -0.0000 0.3331 -0.7787 0.5368
 1.0000 -5.0000 -19.0000 0.2680 -0.6081 -0.7557
 6.0000 11.0000 -14.0000 0.8003 0.1526 -0.6034
 -14.0000 22.0000 -8.0000 0.0800 0.6297 -0.7809
 8.0000 6.0000 16.0000 0.2114 0.6209 0.7680

_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0463
_diffrn_reflns_av_unetI/netI       0.0231
_diffrn_reflns_Laue_measured_fraction_full  0.996
_diffrn_reflns_Laue_measured_fraction_max  0.969
_diffrn_reflns_limit_h_max         22
_diffrn_reflns_limit_h_min         -23
_diffrn_reflns_limit_k_max         24
_diffrn_reflns_limit_k_min         -23
_diffrn_reflns_limit_l_max         19
_diffrn_reflns_limit_l_min         -19
_diffrn_reflns_number              27543
_diffrn_reflns_point_group_measured_fraction_full  0.997
_diffrn_reflns_point_group_measured_fraction_max  0.969
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           30.203
_diffrn_reflns_theta_min           3.116
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        100.0(3)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   8.1506
_diffrn_detector_type              EosS2
_diffrn_measured_fraction_theta_full  0.996
_diffrn_measured_fraction_theta_max  0.969
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -49.00  35.00   1.00   12.50    --   18.33 -57.00 120.00   84
  2  ω      2.00  86.00   1.00   12.50    --   18.33  57.00  90.00   84
  3  ω      2.00  86.00   1.00   12.50    --   18.33  57.00 -30.00   84
  4  ω     -1.00  87.00   1.00   12.50    --   18.33  38.00 150.00   88
  5  ω      0.00  90.00   1.00   12.50    --   18.33  19.00 -60.00   90
  6  ω    -38.00   2.00   1.00   12.50    --   18.18 -57.00 -30.00   40
  7  ω     40.00  67.00   1.00   12.50    --   18.18 178.00 -30.00   27
  8  ω     55.00  84.00   1.00   12.50    --   18.18  57.00   0.00   29
  9  ω     58.00  87.00   1.00   12.50    --   18.18-178.00-180.00   29
 10  ω     34.00  91.00   1.00   12.50    --   18.18-178.00 -30.00   57
 11  ω      1.00  85.00   1.00   12.50    --   18.18  57.00-150.00   84
 12  ω    -20.00  57.00   1.00   12.50    --   18.18 -99.00-180.00   77
 13  ω    -20.00  57.00   1.00   12.50    --   18.18 -99.00  90.00   77
 14  ω     -9.00  86.00   1.00   12.50    --   18.18  77.00  30.00   95
 15  ω    -20.00   9.00   1.00   12.50    --   18.18 -99.00 -90.00   29
 16  ω    -20.00  57.00   1.00   12.50    --   18.18 -99.00   0.00   77
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        0.0443349000
_diffrn_orient_matrix_UB_12        0.0251616000
_diffrn_orient_matrix_UB_13        -0.0183919000
_diffrn_orient_matrix_UB_21        0.0043456000
_diffrn_orient_matrix_UB_22        0.0393458000
_diffrn_orient_matrix_UB_23        0.0218797000
_diffrn_orient_matrix_UB_31        0.0167458000
_diffrn_orient_matrix_UB_32        -0.0091766000
_diffrn_orient_matrix_UB_33        0.0430687000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage           0.991
_reflns_Friedel_fraction_full      0.997
_reflns_Friedel_fraction_max       0.969
_reflns_number_gt                  2383
_reflns_number_total               2407
_reflns_odcompleteness_completeness  99.80
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       27.42
_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 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection         'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction          'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           1.266
_refine_diff_density_min           -0.600
_refine_diff_density_rms           0.109
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack     0.34(5)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.121
_refine_ls_hydrogen_treatment      mixed
_refine_ls_matrix_type             full
_refine_ls_number_parameters       91
_refine_ls_number_reflns           2407
_refine_ls_number_restraints       5
_refine_ls_R_factor_all            0.0415
_refine_ls_R_factor_gt             0.0408
_refine_ls_restrained_S_all        1.120
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0771P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0992
_refine_ls_wR_factor_ref           0.1003
_refine_special_details           
 'Hydrogen atoms on the bound water are placed at idealized positions and refined as riding contributions with restrained O-H, H-H distances and H-O-K angles. The crystal was refined as an inversion twin with a BASF parameter which refined to 0.34(5)'
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.66(5)
 0.34(5)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
3. Restrained distances
 O1-H1B = O1-H1A
 0.84 with sigma of 0.02
 H1B-H1A
 1.4 with sigma of 0.02
 K1-H1B \\sim K1-H1A
 with sigma of 0.02
4. Others
 Fixed Sof: C6(0.5) H6A(0.5) H6B(0.5) H6C(0.5) C7(0.5) H7A(0.5) H7B(0.5)
 H7C(0.5) C8(0.5) H8A(0.5) H8B(0.5) H8C(0.5) H1A(0.16667) H1B(0.16667) C1(0.5)
 H1(0.5) C2(0.5) H2(0.5) C3(0.5) H3(0.5) H5A(0.5) H5B(0.5)
5.a :
 Si2(C6,C7,C8)
5.b Ternary CH refined with riding coordinates:
 C1(H1)
5.c Me refined with riding coordinates:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C4(H4A,H4B,H4C), C5(H5A,
 H5B,H5C)
5.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3)
;
_atom_sites_solution_hydrogens     mixed
_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
 Sn1 Sn 0.000000 0.000000 0.54113(2) 0.02503(16) Uani 1 6 d S T P . .
 K1 K 0.000000 0.000000 0.2765(2) 0.0585(8) Uani 1 6 d DS T P . .
 Si1 Si 0.11249(6) 0.22498(12) 0.54786(13) 0.0402(5) Uani 1 2 d S T P . .
 Si2 Si -0.14537(13) 0.14537(13) 0.2714(3) 0.0873(11) Uani 1 2 d S T P . .
 C6 C -0.1152(10) 0.2452(10) 0.2000(15) 0.18(2) Uani 0.5 1 d G . . A -1
 H6A H -0.079550 0.298678 0.240276 0.274 Uiso 0.5 1 calc R . . A -1
 H6B H -0.079699 0.246716 0.143262 0.274 Uiso 0.5 1 calc R . . A -1
 H6C H -0.169844 0.244288 0.177881 0.274 Uiso 0.5 1 calc R . . A -1
 C7 C -0.2312(10) 0.1139(16) 0.3728(14) 0.124(10) Uani 0.5 1 d G . . A -1
 H7A H -0.240695 0.058796 0.404796 0.186 Uiso 0.5 1 calc R . . A -1
 H7B H -0.209036 0.162724 0.420759 0.186 Uiso 0.5 1 calc R . . A -1
 H7C H -0.288081 0.103961 0.345309 0.186 Uiso 0.5 1 calc R . . A -1
 C8 C -0.2115(14) 0.0503(10) 0.1882(14) 0.20(3) Uani 0.5 1 d G . . A -1
 H8A H -0.230191 -0.006323 0.222547 0.307 Uiso 0.5 1 calc R . . A -1
 H8B H -0.264842 0.052214 0.166185 0.307 Uiso 0.5 1 calc R . . A -1
 H8C H -0.174696 0.054643 0.131566 0.307 Uiso 0.5 1 calc R . . A -1
 O1 O 0.000000 0.000000 0.0772(10) 0.090(5) Uani 1 6 d DS T P . .
 H1A H -0.0236(12) -0.047(2) 0.043(4) 0.135 Uiso 0.3333 2 d DRS T P B 1
 H1B H 0.0236(11) 0.047(2) 0.043(4) 0.135 Uiso 0.3333 2 d DRS T P C 1
 C1 C 0.0501(5) 0.1341(5) 0.4547(5) 0.031(2) Uani 0.5 1 d . . . A -1
 H1 H 0.092793 0.138414 0.402538 0.037 Uiso 0.5 1 calc R . . A -1
 C2 C -0.0266(6) 0.1360(6) 0.4097(7) 0.0395(17) Uani 0.5 1 d . . . A -1
 H2 H -0.074656 0.123015 0.453161 0.047 Uiso 0.5 1 calc R . . A -1
 C3 C -0.0401(9) 0.1530(9) 0.3179(10) 0.064(3) Uani 0.5 1 d . . . A -1
 H3 H 0.007881 0.170263 0.272936 0.077 Uiso 0.5 1 calc R . . A -1
 C4 C 0.1964(5) 0.2169(5) 0.6246(7) 0.078(2) Uani 1 1 d . . . . .
 H4A H 0.245010 0.221271 0.583233 0.117 Uiso 1 1 calc R . . . .
 H4B H 0.221154 0.266045 0.672214 0.117 Uiso 1 1 calc R . . . .
 H4C H 0.167729 0.159190 0.658970 0.117 Uiso 1 1 calc R . . . .
 C5 C 0.1679(3) 0.3359(6) 0.4850(9) 0.073(3) Uani 1 2 d S T P A .
 H5A H 0.216991 0.340929 0.443943 0.110 Uiso 0.5 1 calc R . . D -1
 H5B H 0.123892 0.341008 0.444108 0.110 Uiso 0.5 1 calc R . . D -1
 H5C H 0.192126 0.384081 0.533704 0.110 Uiso 0.5 1 calc RS T P D -1


_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
 Sn1 K1 3.626(3) . ?
 Sn1 C1 2.338(7) . ?
 Sn1 C1 2.338(7) 6 ?
 Sn1 C1 2.338(7) 5 ?
 Sn1 C1 2.338(7) 3 ?
 Sn1 C1 2.338(7) 2 ?
 Sn1 C1 2.338(7) 4 ?
 K1 O1 2.729(14) . ?
 Si1 C1 1.882(8) 6 ?
 Si1 C1 1.882(8) . ?
 Si1 C4 1.845(7) 6 ?
 Si1 C4 1.845(7) . ?
 Si1 C5 1.862(8) . ?
 Si2 C6 1.810(10) . ?
 Si2 C7 1.897(15) . ?
 Si2 C8 1.844(9) . ?
 Si2 C3 1.860(12) 4 ?
 Si2 C3 1.860(12) . ?
 C1 C2 1.470(11) . ?
 C2 C3 1.337(14) . ?

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 Sn1 K1 59.58(18) 6 . ?
 C1 Sn1 K1 59.58(18) . . ?
 C1 Sn1 K1 59.58(18) 2 . ?
 C1 Sn1 K1 59.58(18) 5 . ?
 C1 Sn1 K1 59.58(18) 3 . ?
 C1 Sn1 K1 59.58(18) 4 . ?
 C1 Sn1 C1 14.3(3) 2 4 ?
 C1 Sn1 C1 14.3(3) 6 . ?
 C1 Sn1 C1 85.2(4) 4 . ?
 C1 Sn1 C1 106.5(4) 4 3 ?
 C1 Sn1 C1 85.2(4) 6 3 ?
 C1 Sn1 C1 106.5(4) 5 . ?
 C1 Sn1 C1 96.6(2) 6 5 ?
 C1 Sn1 C1 96.6(2) 2 . ?
 C1 Sn1 C1 96.6(2) . 3 ?
 C1 Sn1 C1 85.2(4) 2 5 ?
 C1 Sn1 C1 14.3(3) 5 3 ?
 C1 Sn1 C1 96.6(2) 4 6 ?
 C1 Sn1 C1 96.6(2) 2 3 ?
 C1 Sn1 C1 106.5(4) 2 6 ?
 C1 Sn1 C1 96.6(2) 4 5 ?
 O1 K1 Sn1 180.0 . . ?
 C1 Si1 C1 17.8(4) 6 . ?
 C4 Si1 C1 117.8(4) 6 6 ?
 C4 Si1 C1 102.3(4) . 6 ?
 C4 Si1 C1 102.3(4) 6 . ?
 C4 Si1 C1 117.8(4) . . ?
 C4 Si1 C4 110.0(7) 6 . ?
 C4 Si1 C5 108.7(3) 6 . ?
 C4 Si1 C5 108.7(3) . . ?
 C5 Si1 C1 108.9(5) . . ?
 C5 Si1 C1 108.9(5) . 6 ?
 C6 Si2 C7 118.6(3) . . ?
 C6 Si2 C8 105.3(2) . . ?
 C6 Si2 C3 108.1(6) . . ?
 C6 Si2 C3 162.6(9) . 4 ?
 C8 Si2 C7 98.82(19) . . ?
 C8 Si2 C3 114.9(9) . . ?
 C8 Si2 C3 68.8(8) . 4 ?
 C3 Si2 C7 111.0(7) . . ?
 C3 Si2 C7 78.8(8) 4 . ?
 C3 Si2 C3 62.8(8) . 4 ?
 Si1 C1 Sn1 104.5(3) . . ?
 C2 C1 Sn1 110.0(5) . . ?
 C2 C1 Si1 114.2(6) . . ?
 C3 C2 C1 130.9(10) . . ?
 C2 C3 Si2 125.2(11) . . ?

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
 Sn1 C1 C2 C3 -129.1(12) . . . . ?
 Si1 C1 C2 C3 113.7(12) . . . . ?
 C6 Si2 C3 C2 133.7(14) . . . . ?
 C7 Si2 C3 C2 1.9(17) . . . . ?
 C8 Si2 C3 C2 -109.1(15) . . . . ?
 C1 Si1 C1 Sn1 80.2(2) 6 . . . ?
 C1 Si1 C1 C2 -159.5(5) 6 . . . ?
 C1 C2 C3 Si2 175.9(9) . . . . ?
 C3 Si2 C3 C2 -62.5(15) 4 . . . ?
 C4 Si1 C1 Sn1 -71.8(4) 6 . . . ?
 C4 Si1 C1 Sn1 48.9(5) . . . . ?
 C4 Si1 C1 C2 169.2(6) . . . . ?
 C4 Si1 C1 C2 48.5(7) 6 . . . ?
 C5 Si1 C1 Sn1 173.24(17) . . . . ?
 C5 Si1 C1 C2 -66.5(6) . . . . ?

_olex2_exptl_crystal_mounting_method  'mounted in a polyimide loop'
_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  1.390
_oxdiff_exptl_absorpt_empirical_full_min  0.758
loop_
  _twin_individual_id
  _twin_individual_mass_fraction_refined
 1 0.66(5)
 2 0.34(5)






