data_rk-1-130
_audit_creation_date              2018-03-30
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number      '2018/1'
_publ_contact_author_address      ?
_publ_contact_author_email        ?
_publ_contact_author_id_orcid     ?
_publ_contact_author_name         ''
_publ_contact_author_phone        ?
_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          'C27 H63 K Si6 Sn'
_chemical_formula_sum             'C27 H63 K Si6 Sn'
_chemical_formula_weight          714.10
_chemical_melting_point           ?
_chemical_oxdiff_formula          C27H63KSi6Sn
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'
 'K' 'K' 0.3868 1.0657 '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'
 'Sn' 'Sn' 0.0259 5.4591 '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                    12.5863(3)
_cell_length_b                    16.2257(4)
_cell_length_c                    20.9657(6)
_cell_angle_alpha                 90
_cell_angle_beta                  100.864(3)
_cell_angle_gamma                 90
_cell_volume                      4204.92(19)
_cell_formula_units_Z             4
_cell_measurement_reflns_used     14718
_cell_measurement_temperature     99.9(4)
_cell_measurement_theta_max       72.9200
_cell_measurement_theta_min       3.3770
_shelx_estimated_absorpt_T_max    0.824
_shelx_estimated_absorpt_T_min    0.258
_exptl_absorpt_coefficient_mu     7.447
_exptl_absorpt_correction_T_max   1.000
_exptl_absorpt_correction_T_min   0.328
_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     1.128
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_description        plate
_exptl_crystal_F_000              1512
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
 1 -10 -3 0.0761
 -7 6 4 0.0742
 -8 -1 3 0.0974
 8 1 -3 0.0974
 7 6 -2 0.1166
 -1 1 -13 0.0260
 1 -1 13 0.0010

_exptl_crystal_size_max           0.25
_exptl_crystal_size_mid           0.195
_exptl_crystal_size_min           0.027
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
 0.9861 -10.0152 -2.9961 -0.5505 -0.5633 0.5822
 -6.9923 6.0070 3.9926 0.6653 0.7665 0.2146
 -8.0024 -1.0039 2.9939 0.4014 0.4653 0.7693
 8.0024 1.0039 -2.9939 -0.4014 -0.4653 -0.7693
 7.0096 6.0109 -1.9961 -0.1423 -0.1233 -1.0128
 -0.9929 0.9930 -12.9981 -0.7549 0.6615 0.0919
 0.9929 -0.9930 12.9981 0.7549 -0.6615 -0.0919

_exptl_transmission_factor_max    ?
_exptl_transmission_factor_min    ?
_diffrn_reflns_av_R_equivalents   0.0632
_diffrn_reflns_av_unetI/netI      0.0428
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max        14
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_k_max        19
_diffrn_reflns_limit_k_min        -19
_diffrn_reflns_limit_l_max        25
_diffrn_reflns_limit_l_min        -24
_diffrn_reflns_number             39298
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full         67.684
_diffrn_reflns_theta_max          73.530
_diffrn_reflns_theta_min          3.468
_diffrn_ambient_environment       N~2~
_diffrn_ambient_temperature       99.9(4)
_diffrn_detector                  'CCD plate'
_diffrn_detector_area_resol_mean  8.1506
_diffrn_detector_type             EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -54.00  30.00   1.00    1.00    --  -37.19  57.00-180.00   84
  2  ω    -56.00  32.00   1.00    1.00    --  -37.19  38.00 -90.00   88
  3  ω    -67.00  34.00   1.00    1.00    --  -37.19  19.00  90.00  101
  4  ω    -56.00  32.00   1.00    1.00    --  -37.19  38.00-180.00   88
  5  ω   -109.00  -8.00   1.00    1.00    --  -37.19 -19.00  30.00  101
  6  ω   -104.00 -20.00   1.00    1.00    --  -37.19 -57.00  30.00   84
  7  ω     20.00 104.00   1.00    1.00    --   37.19  57.00 -90.00   84
  8  ω      8.00 109.00   1.00    1.00    --   37.19  19.00 -90.00  101
  9  ω    -30.00  54.00   1.00    1.00    --   37.19 -57.00 120.00   84
 10  ω     94.00 178.00   1.00    5.00    --  111.00  45.00 120.00   84
 11  ω     43.00 128.00   1.00    5.00    --  111.00 -45.00 -60.00   85
 12  ω     43.00 128.00   1.00    5.00    --  111.00 -45.00 120.00   85
 13  ω     90.00 178.00   1.00    5.00    --  111.00  30.00-180.00   88
 14  ω     93.00 178.00   1.00    5.00    --  111.00  61.00-150.00   85
 15  ω     94.00 178.00   1.00    5.00    --  111.00  45.00 -90.00   84
 16  ω     84.00 178.00   1.00    5.00    --  111.00  77.00-180.00   94
 17  ω     44.00 129.00   1.00    5.00    --  111.00 -61.00  30.00   85
 18  ω     94.00 178.00   1.00    5.00    --  111.00  45.00  60.00   84
 19  ω   -105.00 -10.00   1.00    1.00    --  -37.19 -77.00 150.00   95
 20  ω   -105.00 -10.00   1.00    1.00    --  -37.19 -77.00 -30.00   95
 21  ω    -64.00  30.00   1.00    1.00    --  -37.19  77.00  60.00   94
 22  ω   -105.00 -10.00   1.00    1.00    --  -37.19 -77.00-120.00   95
 23  ω    -64.00  30.00   1.00    1.00    --  -37.19  77.00-120.00   94
 24  ω   -105.00 -10.00   1.00    1.00    --  -37.19 -77.00  60.00   95
 25  ω    -64.00  30.00   1.00    1.00    --  -37.19  77.00 150.00   94
 26  ω    -64.00  30.00   1.00    1.00    --  -37.19  77.00 -30.00   94
;
_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       -0.0307622000
_diffrn_orient_matrix_UB_12       0.0331050000
_diffrn_orient_matrix_UB_13       0.0629585000
_diffrn_orient_matrix_UB_21       -0.0807200000
_diffrn_orient_matrix_UB_22       0.0603031000
_diffrn_orient_matrix_UB_23       -0.0401157000
_diffrn_orient_matrix_UB_31       -0.0898723000
_diffrn_orient_matrix_UB_32       -0.0654227000
_diffrn_orient_matrix_UB_33       -0.0052058000
_diffrn_radiation_monochromator   mirror
_diffrn_radiation_probe           x-ray
_diffrn_radiation_type            CuK\a
_diffrn_radiation_wavelength      1.54184
_diffrn_source                    'micro-focus sealed X-ray tube'
_diffrn_source_type               'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_full     .
_reflns_Friedel_fraction_max      .
_reflns_number_gt                 7110
_reflns_number_total              8332
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric  1
_reflns_odcompleteness_theta      68.13
_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          1.878
_refine_diff_density_min          -1.880
_refine_diff_density_rms          0.095
_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      365
_refine_ls_number_reflns          8332
_refine_ls_number_restraints      33
_refine_ls_R_factor_all           0.0678
_refine_ls_R_factor_gt            0.0577
_refine_ls_restrained_S_all       1.049
_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)+(0.0460P)²+15.3690P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme       calc
_refine_ls_wR_factor_gt           0.1308
_refine_ls_wR_factor_ref          0.1381
_refine_special_details
'Allyl hydrogens were placed at idealized positions. SiMe3 group disorder was modeled with appropriate similiarity restraints.'
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Si6-C26A \\sim Si6-C26 \\sim Si6-C25A \\sim Si6-C25 \\sim Si6-C27A \\sim
Si6-C27
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C27 \\sim C27A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
C25 \\sim C25A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
C26 \\sim C26A: within 2A with sigma of 0.04 and sigma for terminal atoms of
0.08
4. Others
 Sof(C25A)=Sof(H25D)=Sof(H25E)=Sof(H25F)=Sof(C26A)=Sof(H26D)=Sof(H26E)=
 Sof(H26F)=Sof(C27A)=Sof(H27D)=Sof(H27E)=Sof(H27F)=1-FVAR(1)
 Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(H26C)=
 Sof(C27)=Sof(H27A)=Sof(H27B)=Sof(H27C)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C1(H1), C10(H10), C19(H19)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C11(H11), C12(H12), C20(H20), C21(H21)
5.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,
 H8B,H8C), C9(H9A,H9B,H9C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,
 H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C),
 C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,
 H25C), C25A(H25D,H25E,H25F), C26(H26A,H26B,H26C), C26A(H26D,H26E,H26F),
 C27(H27A,H27B,H27C), C27A(H27D,H27E,H27F)
;
_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
 Sn1 Sn 0.42259(2) 0.57309(2) 0.72017(2) 0.03561(11) Uani 1 1 d . . . . .
 K1 K 0.64872(8) 0.70522(6) 0.76089(5) 0.0366(2) Uani 1 1 d . . . . .
 Si1 Si 0.30217(12) 0.70522(11) 0.60606(8) 0.0530(4) Uani 1 1 d . . . . .
 Si2 Si 0.71957(13) 0.70904(11) 0.57040(8) 0.0520(4) Uani 1 1 d . . . . .
 Si3 Si 0.56634(13) 0.41393(10) 0.68041(10) 0.0561(4) Uani 1 1 d . . . . .
 Si4 Si 0.84666(12) 0.54359(10) 0.88608(8) 0.0477(4) Uani 1 1 d . . . . .
 Si5 Si 0.39074(12) 0.57926(11) 0.87606(8) 0.0482(4) Uani 1 1 d . . . . .
 Si6 Si 0.44824(14) 0.89487(11) 0.83872(11) 0.0603(5) Uani 1 1 d D . . . .
 C1 C 0.4384(4) 0.6910(3) 0.6597(3) 0.0446(12) Uani 1 1 d . . . . .
 H1 H 0.455416 0.738551 0.688615 0.053 Uiso 1 1 calc R . . . .
 C2 C 0.5250(4) 0.6794(4) 0.6204(3) 0.0485(13) Uani 1 1 d . . . . .
 H2 H 0.519622 0.632143 0.594865 0.058 Uiso 1 1 calc R . . . .
 C3 C 0.6103(5) 0.7292(4) 0.6175(3) 0.0501(13) Uani 1 1 d . . . . .
 H3 H 0.614817 0.778029 0.641158 0.060 Uiso 1 1 calc R . . . .
 C4 C 0.1913(5) 0.7037(5) 0.6539(4) 0.076(2) Uani 1 1 d . . . . .
 H4A H 0.188150 0.650382 0.673287 0.114 Uiso 1 1 calc GR . . . .
 H4B H 0.123522 0.715193 0.625684 0.114 Uiso 1 1 calc GR . . . .
 H4C H 0.205057 0.744832 0.687390 0.114 Uiso 1 1 calc GR . . . .
 C5 C 0.2784(6) 0.6226(6) 0.5425(4) 0.087(3) Uani 1 1 d . . . . .
 H5A H 0.334511 0.624592 0.517214 0.131 Uiso 1 1 calc GR . . . .
 H5B H 0.209512 0.631265 0.514619 0.131 Uiso 1 1 calc GR . . . .
 H5C H 0.278974 0.569724 0.563043 0.131 Uiso 1 1 calc GR . . . .
 C6 C 0.2979(6) 0.8074(5) 0.5648(4) 0.086(3) Uani 1 1 d . . . . .
 H6A H 0.298328 0.850496 0.596253 0.129 Uiso 1 1 calc GR . . . .
 H6B H 0.233278 0.811276 0.532334 0.129 Uiso 1 1 calc GR . . . .
 H6C H 0.360040 0.813011 0.544707 0.129 Uiso 1 1 calc GR . . . .
 C7 C 0.7289(6) 0.5966(5) 0.5566(4) 0.073(2) Uani 1 1 d . . . . .
 H7A H 0.748140 0.568902 0.597596 0.109 Uiso 1 1 calc GR . . . .
 H7B H 0.783021 0.586167 0.530906 0.109 Uiso 1 1 calc GR . . . .
 H7C H 0.660200 0.576512 0.534090 0.109 Uiso 1 1 calc GR . . . .
 C8 C 0.8490(5) 0.7515(6) 0.6178(4) 0.087(3) Uani 1 1 d . . . . .
 H8A H 0.838504 0.807946 0.628814 0.130 Uiso 1 1 calc GR . . . .
 H8B H 0.904354 0.748411 0.591984 0.130 Uiso 1 1 calc GR . . . .
 H8C H 0.870571 0.719915 0.656775 0.130 Uiso 1 1 calc GR . . . .
 C9 C 0.6886(5) 0.7641(4) 0.4906(3) 0.0661(18) Uani 1 1 d . . . . .
 H9A H 0.620556 0.745058 0.466413 0.099 Uiso 1 1 calc GR . . . .
 H9B H 0.744679 0.753065 0.466407 0.099 Uiso 1 1 calc GR . . . .
 H9C H 0.684681 0.822276 0.497968 0.099 Uiso 1 1 calc GR . . . .
 C10 C 0.5943(4) 0.5180(3) 0.7182(3) 0.0446(12) Uani 1 1 d . . . . .
 H10 H 0.629870 0.552112 0.689793 0.054 Uiso 1 1 calc R . . . .
 C11 C 0.6641(4) 0.5149(3) 0.7839(3) 0.0439(12) Uani 1 1 d . . . . .
 H11 H 0.635220 0.488089 0.815902 0.053 Uiso 1 1 calc R . . . .
 C12 C 0.7650(4) 0.5466(3) 0.8025(3) 0.0449(12) Uani 1 1 d . . . . .
 H12 H 0.795953 0.572094 0.770725 0.054 Uiso 1 1 calc R . . . .
 C13 C 0.5030(5) 0.4253(4) 0.5934(3) 0.0616(16) Uani 1 1 d . . . . .
 H13A H 0.433468 0.451023 0.589948 0.092 Uiso 1 1 calc GR . . . .
 H13B H 0.494397 0.371935 0.573299 0.092 Uiso 1 1 calc GR . . . .
 H13C H 0.548409 0.458816 0.571929 0.092 Uiso 1 1 calc GR . . . .
 C14 C 0.6972(6) 0.3567(5) 0.6861(5) 0.115(4) Uani 1 1 d . . . . .
 H14A H 0.682494 0.299629 0.676168 0.173 Uiso 1 1 calc GR . . . .
 H14B H 0.738537 0.361607 0.729398 0.173 Uiso 1 1 calc GR . . . .
 H14C H 0.737483 0.379638 0.655822 0.173 Uiso 1 1 calc GR . . . .
 C15 C 0.4788(7) 0.3494(4) 0.7221(4) 0.088(3) Uani 1 1 d . . . . .
 H15A H 0.506213 0.350131 0.768061 0.131 Uiso 1 1 calc GR . . . .
 H15B H 0.478550 0.293786 0.706420 0.131 Uiso 1 1 calc GR . . . .
 H15C H 0.406450 0.370805 0.713465 0.131 Uiso 1 1 calc GR . . . .
 C16 C 0.9034(6) 0.6478(4) 0.9074(3) 0.071(2) Uani 1 1 d . . . . .
 H16A H 0.845651 0.685530 0.910013 0.107 Uiso 1 1 calc GR . . . .
 H16B H 0.942055 0.666114 0.874718 0.107 Uiso 1 1 calc GR . . . .
 H16C H 0.951914 0.645553 0.948662 0.107 Uiso 1 1 calc GR . . . .
 C17 C 0.7641(6) 0.5074(4) 0.9437(3) 0.0677(18) Uani 1 1 d . . . . .
 H17A H 0.808735 0.501610 0.985950 0.102 Uiso 1 1 calc GR . . . .
 H17B H 0.732539 0.455083 0.929617 0.102 Uiso 1 1 calc GR . . . .
 H17C H 0.707663 0.546606 0.945747 0.102 Uiso 1 1 calc GR . . . .
 C18 C 0.9674(6) 0.4742(5) 0.8891(4) 0.084(2) Uani 1 1 d . . . . .
 H18A H 1.006435 0.490261 0.855905 0.126 Uiso 1 1 calc GR . . . .
 H18B H 0.943441 0.418171 0.881928 0.126 Uiso 1 1 calc GR . . . .
 H18C H 1.013818 0.478669 0.930846 0.126 Uiso 1 1 calc GR . . . .
 C19 C 0.4706(4) 0.6334(3) 0.8213(3) 0.0419(11) Uani 1 1 d . . . . .
 H19 H 0.548234 0.625858 0.837707 0.050 Uiso 1 1 calc R . . . .
 C20 C 0.4434(4) 0.7230(4) 0.8188(3) 0.0466(13) Uani 1 1 d . . . . .
 H20 H 0.374040 0.735662 0.796842 0.056 Uiso 1 1 calc R . . . .
 C21 C 0.5036(4) 0.7889(4) 0.8435(3) 0.0516(14) Uani 1 1 d . . . . .
 H21 H 0.575195 0.780603 0.863517 0.062 Uiso 1 1 calc R . . . .
 C22 C 0.4122(6) 0.4658(4) 0.8748(4) 0.0693(19) Uani 1 1 d . . . . .
 H22A H 0.382906 0.444783 0.832319 0.104 Uiso 1 1 calc GR . . . .
 H22B H 0.376482 0.440020 0.906178 0.104 Uiso 1 1 calc GR . . . .
 H22C H 0.488266 0.454117 0.885232 0.104 Uiso 1 1 calc GR . . . .
 C23 C 0.4390(5) 0.6175(5) 0.9607(3) 0.0659(18) Uani 1 1 d . . . . .
 H23A H 0.513233 0.601822 0.975130 0.099 Uiso 1 1 calc GR . . . .
 H23B H 0.395588 0.593848 0.989061 0.099 Uiso 1 1 calc GR . . . .
 H23C H 0.433088 0.676466 0.961460 0.099 Uiso 1 1 calc GR . . . .
 C24 C 0.2434(5) 0.6039(5) 0.8498(3) 0.0626(17) Uani 1 1 d . . . . .
 H24A H 0.232628 0.662161 0.853510 0.094 Uiso 1 1 calc GR . . . .
 H24B H 0.202473 0.575018 0.877054 0.094 Uiso 1 1 calc GR . . . .
 H24C H 0.219686 0.587171 0.805520 0.094 Uiso 1 1 calc GR . . . .
 C25 C 0.3420(10) 0.9044(7) 0.7614(7) 0.093(6) Uani 0.616(14) 1 d D U P A 1
 H25A H 0.375813 0.897665 0.724321 0.139 Uiso 0.616(14) 1 calc GR . P A 1
 H25B H 0.308777 0.957803 0.759897 0.139 Uiso 0.616(14) 1 calc GR . P A 1
 H25C H 0.287947 0.862602 0.760974 0.139 Uiso 0.616(14) 1 calc GR . P A 1
 C25A C 0.3019(10) 0.8850(13) 0.8327(15) 0.096(10) Uani 0.384(14) 1 d D U P A
 2
 H25D H 0.269565 0.867748 0.789613 0.145 Uiso 0.384(14) 1 calc GR . P A 2
 H25E H 0.272256 0.937307 0.841789 0.145 Uiso 0.384(14) 1 calc GR . P A 2
 H25F H 0.287093 0.844915 0.863513 0.145 Uiso 0.384(14) 1 calc GR . P A 2
 C26 C 0.378(2) 0.9150(11) 0.9061(10) 0.147(11) Uani 0.616(14) 1 d D U P A 1
 H26A H 0.320242 0.875801 0.904940 0.220 Uiso 0.616(14) 1 calc GR . P A 1
 H26B H 0.348063 0.969744 0.902078 0.220 Uiso 0.616(14) 1 calc GR . P A 1
 H26C H 0.427720 0.910161 0.946575 0.220 Uiso 0.616(14) 1 calc GR . P A 1
 C26A C 0.490(3) 0.9352(18) 0.9246(9) 0.127(12) Uani 0.384(14) 1 d D U P A 2
 H26D H 0.473469 0.894616 0.954662 0.191 Uiso 0.384(14) 1 calc GR . P A 2
 H26E H 0.450404 0.984933 0.929240 0.191 Uiso 0.384(14) 1 calc GR . P A 2
 H26F H 0.565795 0.946561 0.933296 0.191 Uiso 0.384(14) 1 calc GR . P A 2
 C27 C 0.5459(16) 0.9767(11) 0.8319(10) 0.102(7) Uani 0.616(14) 1 d D U P A 1
 H27A H 0.599830 0.978595 0.870932 0.154 Uiso 0.616(14) 1 calc GR . P A 1
 H27B H 0.509023 1.028743 0.825749 0.154 Uiso 0.616(14) 1 calc GR . P A 1
 H27C H 0.579937 0.965721 0.795509 0.154 Uiso 0.616(14) 1 calc GR . P A 1
 C27A C 0.517(3) 0.9643(19) 0.791(2) 0.160(18) Uani 0.384(14) 1 d D U P A 2
 H27D H 0.590033 0.972820 0.813299 0.239 Uiso 0.384(14) 1 calc GR . P A 2
 H27E H 0.479593 1.016153 0.785744 0.239 Uiso 0.384(14) 1 calc GR . P A 2
 H27F H 0.517139 0.940345 0.749262 0.239 Uiso 0.384(14) 1 calc GR . 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
 Sn1 K1 3.5369(10) . ?
 Sn1 C1 2.324(5) . ?
 Sn1 C10 2.346(5) . ?
 Sn1 C19 2.310(5) . ?
 K1 C2 3.090(6) . ?
 K1 C3 2.979(6) . ?
 K1 C10 3.204(5) . ?
 K1 C11 3.126(5) . ?
 K1 C12 3.007(5) . ?
 K1 C14 3.198(8) 2_656 ?
 K1 C21 3.062(5) . ?
 Si1 C1 1.879(6) . ?
 Si1 C4 1.867(6) . ?
 Si1 C5 1.874(8) . ?
 Si1 C6 1.866(7) . ?
 Si2 C3 1.867(6) . ?
 Si2 C7 1.854(7) . ?
 Si2 C8 1.872(7) . ?
 Si2 C9 1.872(7) . ?
 Si3 C10 1.871(5) . ?
 Si3 C13 1.857(7) . ?
 Si3 C14 1.874(7) . ?
 Si3 C15 1.854(8) . ?
 Si4 C12 1.857(6) . ?
 Si4 C16 1.857(6) . ?
 Si4 C17 1.833(7) . ?
 Si4 C18 1.883(7) . ?
 Si5 C19 1.880(5) . ?
 Si5 C22 1.861(7) . ?
 Si5 C23 1.871(7) . ?
 Si5 C24 1.875(6) . ?
 Si6 C21 1.850(6) . ?
 Si6 C25 1.903(11) . ?
 Si6 C25A 1.829(12) . ?
 Si6 C26 1.835(11) . ?
 Si6 C26A 1.893(15) . ?
 Si6 C27 1.833(10) . ?
 Si6 C27A 1.827(15) . ?
 C1 C2 1.497(7) . ?
 C2 C3 1.355(8) . ?
 C10 C11 1.488(7) . ?
 C11 C12 1.358(7) . ?
 C19 C20 1.493(8) . ?
 C20 C21 1.355(8) . ?

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 59.01(14) . . ?
 C1 Sn1 C10 97.47(19) . . ?
 C10 Sn1 K1 62.16(13) . . ?
 C19 Sn1 K1 57.47(12) . . ?
 C19 Sn1 C1 96.77(19) . . ?
 C19 Sn1 C10 95.45(18) . . ?
 C2 K1 Sn1 56.61(11) . . ?
 C2 K1 C10 64.03(15) . . ?
 C2 K1 C11 91.05(15) . . ?
 C2 K1 C14 126.8(2) . 2_656 ?
 C3 K1 Sn1 82.27(12) . . ?
 C3 K1 C2 25.71(15) . . ?
 C3 K1 C10 81.75(16) . . ?
 C3 K1 C11 106.16(16) . . ?
 C3 K1 C12 112.49(16) . . ?
 C3 K1 C14 102.8(2) . 2_656 ?
 C3 K1 C21 120.79(17) . . ?
 C10 K1 Sn1 40.36(9) . . ?
 C11 K1 Sn1 57.46(10) . . ?
 C11 K1 C10 27.17(14) . . ?
 C11 K1 C14 133.63(17) . 2_656 ?
 C12 K1 Sn1 82.94(11) . . ?
 C12 K1 C2 106.91(16) . . ?
 C12 K1 C10 48.45(14) . . ?
 C12 K1 C11 25.49(14) . . ?
 C12 K1 C14 109.07(18) . 2_656 ?
 C12 K1 C21 121.67(17) . . ?
 C14 K1 Sn1 163.3(2) 2_656 . ?
 C14 K1 C10 155.44(19) 2_656 . ?
 C21 K1 Sn1 82.33(11) . . ?
 C21 K1 C2 110.62(16) . . ?
 C21 K1 C10 117.37(15) . . ?
 C21 K1 C11 112.17(16) . . ?
 C21 K1 C14 81.4(2) . 2_656 ?
 C4 Si1 C1 111.5(3) . . ?
 C4 Si1 C5 109.7(4) . . ?
 C5 Si1 C1 110.1(3) . . ?
 C6 Si1 C1 109.3(3) . . ?
 C6 Si1 C4 107.6(3) . . ?
 C6 Si1 C5 108.6(4) . . ?
 C3 Si2 C8 108.0(3) . . ?
 C3 Si2 C9 109.8(3) . . ?
 C7 Si2 C3 109.3(3) . . ?
 C7 Si2 C8 111.8(4) . . ?
 C7 Si2 C9 109.8(3) . . ?
 C9 Si2 C8 108.2(3) . . ?
 C10 Si3 C14 109.1(3) . . ?
 C13 Si3 C10 109.7(3) . . ?
 C13 Si3 C14 108.8(4) . . ?
 C15 Si3 C10 113.1(3) . . ?
 C15 Si3 C13 109.6(4) . . ?
 C15 Si3 C14 106.4(4) . . ?
 C12 Si4 C16 108.8(3) . . ?
 C12 Si4 C18 110.3(3) . . ?
 C16 Si4 C18 105.4(4) . . ?
 C17 Si4 C12 110.4(3) . . ?
 C17 Si4 C16 111.9(3) . . ?
 C17 Si4 C18 109.9(4) . . ?
 C22 Si5 C19 110.9(3) . . ?
 C22 Si5 C23 108.6(3) . . ?
 C22 Si5 C24 110.2(3) . . ?
 C23 Si5 C19 108.0(3) . . ?
 C23 Si5 C24 109.5(3) . . ?
 C24 Si5 C19 109.5(3) . . ?
 C21 Si6 C25 108.6(4) . . ?
 C21 Si6 C26A 103.7(9) . . ?
 C25A Si6 C21 106.6(7) . . ?
 C25A Si6 C26A 100.9(14) . . ?
 C26 Si6 C21 110.9(6) . . ?
 C26 Si6 C25 106.1(10) . . ?
 C27 Si6 C21 115.2(8) . . ?
 C27 Si6 C25 104.4(8) . . ?
 C27 Si6 C26 111.1(10) . . ?
 C27A Si6 C21 113.0(12) . . ?
 C27A Si6 C25A 126.1(16) . . ?
 C27A Si6 C26A 103.5(18) . . ?
 Si1 C1 Sn1 105.4(2) . . ?
 C2 C1 Sn1 110.0(3) . . ?
 C2 C1 Si1 111.3(4) . . ?
 C1 C2 K1 75.3(3) . . ?
 C3 C2 K1 72.6(4) . . ?
 C3 C2 C1 127.9(6) . . ?
 Si2 C3 K1 121.0(3) . . ?
 C2 C3 K1 81.7(4) . . ?
 C2 C3 Si2 126.0(5) . . ?
 Sn1 C10 K1 77.47(14) . . ?
 Si3 C10 Sn1 104.5(2) . . ?
 Si3 C10 K1 171.0(3) . . ?
 C11 C10 Sn1 112.4(4) . . ?
 C11 C10 K1 73.5(3) . . ?
 C11 C10 Si3 113.1(4) . . ?
 C10 C11 K1 79.3(3) . . ?
 C12 C11 K1 72.4(3) . . ?
 C12 C11 C10 127.6(5) . . ?
 Si4 C12 K1 116.7(2) . . ?
 C11 C12 K1 82.1(3) . . ?
 C11 C12 Si4 125.7(5) . . ?
 Si3 C14 K1 150.6(6) . 2_646 ?
 Si5 C19 Sn1 106.6(2) . . ?
 C20 C19 Sn1 111.2(4) . . ?
 C20 C19 Si5 109.3(4) . . ?
 C21 C20 C19 130.3(5) . . ?
 Si6 C21 K1 129.8(3) . . ?
 C20 C21 K1 77.5(3) . . ?
 C20 C21 Si6 122.3(5) . . ?

_olex2_date_sample_data_collection 2017-08-31
_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 1.412
_oxdiff_exptl_absorpt_empirical_full_min 0.590
