# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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data_185c2c_6

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H66 Cl Si8 Sn, C12 H32 Li N4'
_chemical_formula_sum            'C60 H98 Cl Li N4 Si8 Sn'
_chemical_formula_weight         1261.22

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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   17.1264(8)
_cell_length_b                   18.2815(8)
_cell_length_c                   27.4389(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.365(2)
_cell_angle_gamma                90.00
_cell_volume                     8284.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    3365
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      18.64

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.011
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2672
_exptl_absorpt_coefficient_mu    0.488
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8501
_exptl_absorpt_correction_T_max  0.9706
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker AXS Inc., 2005)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30965
_diffrn_reflns_av_R_equivalents  0.0774
_diffrn_reflns_av_sigmaI/netI    0.0731
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.54
_diffrn_reflns_theta_max         23.27
_reflns_number_total             5941
_reflns_number_gt                3873
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v.2014.1-1 (Bruker AXS Inc., 2014)'
_computing_cell_refinement       'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'SHELXTL 5.1 (Bruker AXS Inc., 1997)'

_refine_special_details          SQUEEZE

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0603P)²+7.4670P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5941
_refine_ls_number_parameters     348
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0916
_refine_ls_R_factor_gt           0.0543
_refine_ls_wR_factor_ref         0.1379
_refine_ls_wR_factor_gt          0.1259
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.5000 0.5898(6) 0.2500 0.044(3) Uani 1 2 d S . .
Sn1 Sn 0.56988(3) -0.14053(3) 0.74401(2) 0.0368(2) Uani 0.50 1 d P . .
Cl1 Cl 0.5175(4) -0.26883(11) 0.7457(3) 0.0580(15) Uani 0.50 1 d P . .
Si1 Si 0.45809(8) -0.09961(7) 0.65964(5) 0.0449(4) Uani 1 1 d . . .
Si11 Si 0.31868(7) -0.08791(7) 0.62122(4) 0.0382(3) Uani 1 1 d . . .
Si12 Si 0.50458(9) -0.18995(8) 0.61257(7) 0.0776(5) Uani 1 1 d . . .
Si13 Si 0.52345(8) 0.00743(7) 0.64250(6) 0.0564(4) Uani 1 1 d . . .
C11M C 0.2950(2) -0.0771(3) 0.55048(16) 0.0428(11) Uani 1 1 d . . .
C11P C 0.2797(3) -0.1378(3) 0.51883(17) 0.0636(14) Uani 1 1 d . . .
H11A H 0.2783 -0.1848 0.5334 0.076 Uiso 1 1 calc R . .
C11G C 0.2731(3) -0.0071(2) 0.64677(16) 0.0427(11) Uani 1 1 d . . .
C11A C 0.2593(3) -0.1709(3) 0.63125(19) 0.0568(13) Uani 1 1 d . . .
C11Q C 0.2662(3) -0.1323(4) 0.46692(19) 0.0803(17) Uani 1 1 d . . .
H11B H 0.2556 -0.1749 0.4464 0.096 Uiso 1 1 calc R . .
C11L C 0.2002(3) 0.0244(3) 0.6195(2) 0.0670(15) Uani 1 1 d . . .
H11C H 0.1741 0.0065 0.5868 0.080 Uiso 1 1 calc R . .
C11H C 0.3089(3) 0.0226(3) 0.69435(17) 0.0556(13) Uani 1 1 d . . .
H11D H 0.3590 0.0033 0.7137 0.067 Uiso 1 1 calc R . .
C11F C 0.1781(3) -0.1781(3) 0.6051(2) 0.0820(18) Uani 1 1 d . . .
H11E H 0.1527 -0.1408 0.5822 0.098 Uiso 1 1 calc R . .
C11N C 0.2955(3) -0.0103(3) 0.52720(17) 0.0576(14) Uani 1 1 d . . .
H11F H 0.3049 0.0327 0.5474 0.069 Uiso 1 1 calc R . .
C11I C 0.2735(4) 0.0792(3) 0.7140(2) 0.0777(18) Uani 1 1 d . . .
H11G H 0.2991 0.0981 0.7465 0.093 Uiso 1 1 calc R . .
C11O C 0.2826(3) -0.0034(4) 0.4747(2) 0.0731(16) Uani 1 1 d . . .
H11H H 0.2838 0.0432 0.4596 0.088 Uiso 1 1 calc R . .
C11K C 0.1656(4) 0.0811(3) 0.6396(2) 0.0857(19) Uani 1 1 d . . .
H11I H 0.1161 0.1017 0.6205 0.103 Uiso 1 1 calc R . .
C11J C 0.2020(4) 0.1079(3) 0.6869(2) 0.088(2) Uani 1 1 d . . .
H11J H 0.1773 0.1465 0.7006 0.106 Uiso 1 1 calc R . .
C11D C 0.1719(7) -0.2927(5) 0.6446(5) 0.153(5) Uani 1 1 d . . .
H11K H 0.1417 -0.3338 0.6506 0.183 Uiso 1 1 calc R . .
C11B C 0.2944(4) -0.2283(3) 0.6626(2) 0.0814(18) Uani 1 1 d . . .
H11L H 0.3499 -0.2265 0.6808 0.098 Uiso 1 1 calc R . .
C11E C 0.1331(5) -0.2395(5) 0.6119(4) 0.128(3) Uani 1 1 d . . .
H11M H 0.0774 -0.2440 0.5945 0.153 Uiso 1 1 calc R . .
C11C C 0.2466(6) -0.2891(4) 0.6671(4) 0.128(4) Uani 1 1 d . . .
H11O H 0.2712 -0.3290 0.6877 0.153 Uiso 1 1 calc R . .
C11R C 0.2684(3) -0.0656(4) 0.4457(2) 0.0772(18) Uani 1 1 d . . .
H11P H 0.2599 -0.0619 0.4101 0.093 Uiso 1 1 calc R . .
C12C C 0.4485(4) -0.2771(3) 0.6082(2) 0.0802(18) Uani 1 1 d . . .
H12A H 0.4405 -0.2978 0.5743 0.120 Uiso 1 1 calc R . .
H12B H 0.3957 -0.2682 0.6147 0.120 Uiso 1 1 calc R . .
H12C H 0.4795 -0.3116 0.6334 0.120 Uiso 1 1 calc R . .
C12B C 0.5006(5) -0.1602(4) 0.5461(3) 0.128(3) Uani 1 1 d . . .
H12D H 0.5205 -0.1998 0.5286 0.192 Uiso 1 1 calc R . .
H12E H 0.5345 -0.1168 0.5472 0.192 Uiso 1 1 calc R . .
H12F H 0.4445 -0.1486 0.5280 0.192 Uiso 1 1 calc R . .
C12A C 0.6135(4) -0.2133(4) 0.6452(4) 0.185(5) Uani 1 1 d . . .
H12G H 0.6327 -0.2510 0.6257 0.278 Uiso 1 1 calc R . .
H12H H 0.6171 -0.2318 0.6792 0.278 Uiso 1 1 calc R . .
H12I H 0.6471 -0.1694 0.6474 0.278 Uiso 1 1 calc R . .
C13C C 0.6351(3) -0.0087(3) 0.6624(2) 0.0728(16) Uani 1 1 d . . .
H13A H 0.6633 0.0351 0.6555 0.109 Uiso 1 1 calc R . .
H13B H 0.6485 -0.0502 0.6435 0.109 Uiso 1 1 calc R . .
H13C H 0.6520 -0.0195 0.6987 0.109 Uiso 1 1 calc R . .
C13B C 0.5031(4) 0.0867(3) 0.6811(3) 0.096(2) Uani 1 1 d . . .
H13D H 0.5307 0.1304 0.6733 0.145 Uiso 1 1 calc R . .
H13E H 0.5234 0.0752 0.7171 0.145 Uiso 1 1 calc R . .
H13F H 0.4447 0.0958 0.6730 0.145 Uiso 1 1 calc R . .
C13A C 0.4996(3) 0.0377(3) 0.5752(2) 0.096(2) Uani 1 1 d . . .
H13G H 0.5302 0.0822 0.5727 0.144 Uiso 1 1 calc R . .
H13H H 0.4415 0.0478 0.5628 0.144 Uiso 1 1 calc R . .
H13I H 0.5146 -0.0009 0.5546 0.144 Uiso 1 1 calc R . .
C101 C 0.5434(7) 0.4553(5) 0.3169(4) 0.218(6) Uani 1 1 d . . .
H10A H 0.5676 0.4373 0.3512 0.327 Uiso 1 1 calc R . .
H10B H 0.5733 0.4355 0.2940 0.327 Uiso 1 1 calc R . .
H10C H 0.4867 0.4394 0.3058 0.327 Uiso 1 1 calc R . .
C102 C 0.4974(8) 0.5577(6) 0.3514(3) 0.229(6) Uani 1 1 d . . .
H10D H 0.5115 0.5285 0.3824 0.344 Uiso 1 1 calc R . .
H10E H 0.4397 0.5518 0.3346 0.344 Uiso 1 1 calc R . .
H10F H 0.5089 0.6094 0.3598 0.344 Uiso 1 1 calc R . .
C104 C 0.6285(6) 0.5631(6) 0.3337(4) 0.221(7) Uani 1 1 d . . .
H10G H 0.6426 0.5644 0.3711 0.265 Uiso 1 1 calc R . .
H10H H 0.6657 0.5275 0.3244 0.265 Uiso 1 1 calc R . .
C105 C 0.6455(4) 0.6257(6) 0.3191(3) 0.148(4) Uani 1 1 d . . .
H10X H 0.7051 0.6283 0.3259 0.178 Uiso 1 1 calc R . .
H10Y H 0.6297 0.6624 0.3412 0.178 Uiso 1 1 calc R . .
C107 C 0.6075(5) 0.7293(4) 0.2628(4) 0.178(4) Uani 1 1 d . . .
H10I H 0.6624 0.7496 0.2706 0.267 Uiso 1 1 calc R . .
H10J H 0.5790 0.7492 0.2864 0.267 Uiso 1 1 calc R . .
H10K H 0.5782 0.7425 0.2282 0.267 Uiso 1 1 calc R . .
C108 C 0.6659(4) 0.6205(5) 0.2366(3) 0.158(4) Uani 1 1 d . . .
H10L H 0.7165 0.6485 0.2443 0.236 Uiso 1 1 calc R . .
H10M H 0.6383 0.6253 0.2006 0.236 Uiso 1 1 calc R . .
H10N H 0.6779 0.5688 0.2448 0.236 Uiso 1 1 calc R . .
N103 N 0.5469(4) 0.5325(3) 0.3166(2) 0.1110(19) Uani 1 1 d . . .
N106 N 0.6119(3) 0.6495(3) 0.2676(2) 0.0875(15) Uani 1 1 d . . .


_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
Li1 N103 2.075(7) 2_655 ?
Li1 N103 2.075(7) . ?
Li1 N106 2.147(7) 2_655 ?
Li1 N106 2.147(7) . ?
Li1 C104 2.772(7) 2_655 ?
Li1 C104 2.772(7) . ?
Li1 C105 2.780(7) 2_655 ?
Li1 C105 2.780(7) . ?
Sn1 Sn1 2.5008(12) 2_656 ?
Sn1 Cl1 2.516(3) . ?
Sn1 Si1 2.6898(13) . ?
Sn1 Cl1 2.836(3) 2_656 ?
Sn1 Si1 2.9068(14) 2_656 ?
Cl1 Cl1 0.697(8) 2_656 ?
Cl1 Sn1 2.836(3) 2_656 ?
Si1 Si11 2.3502(17) . ?
Si1 Si12 2.361(2) . ?
Si1 Si13 2.3628(18) . ?
Si1 Sn1 2.9068(14) 2_656 ?
Si11 C11M 1.885(4) . ?
Si11 C11A 1.887(5) . ?
Si11 C11G 1.891(5) . ?
Si12 C12C 1.849(5) . ?
Si12 C12B 1.887(7) . ?
Si12 C12A 1.891(7) . ?
Si13 C13A 1.867(5) . ?
Si13 C13C 1.868(5) . ?
Si13 C13B 1.881(6) . ?
C11M C11N 1.380(6) . ?
C11M C11P 1.390(6) . ?
C11P C11Q 1.385(7) . ?
C11G C11H 1.397(6) . ?
C11G C11L 1.398(6) . ?
C11A C11B 1.389(7) . ?
C11A C11F 1.393(7) . ?
C11Q C11R 1.355(7) . ?
C11L C11K 1.379(7) . ?
C11H C11I 1.378(6) . ?
C11F C11E 1.402(8) . ?
C11N C11O 1.404(6) . ?
C11I C11J 1.358(8) . ?
C11O C11R 1.372(7) . ?
C11K C11J 1.372(8) . ?
C11D C11C 1.266(13) . ?
C11D C11E 1.370(12) . ?
C11B C11C 1.405(9) . ?
C101 N103 1.413(9) . ?
C102 N103 1.507(12) . ?
C104 C105 1.272(9) . ?
C104 N103 1.463(10) . ?
C105 N106 1.443(8) . ?
C107 N106 1.464(8) . ?
C108 N106 1.509(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
N103 Li1 N103 119.4(6) 2_655 . ?
N103 Li1 N106 86.8(2) 2_655 2_655 ?
N103 Li1 N106 124.7(3) . 2_655 ?
N103 Li1 N106 124.7(3) 2_655 . ?
N103 Li1 N106 86.8(2) . . ?
N106 Li1 N106 118.8(6) 2_655 . ?
N103 Li1 C104 31.1(3) 2_655 2_655 ?
N103 Li1 C104 132.7(5) . 2_655 ?
N106 Li1 C104 55.8(2) 2_655 2_655 ?
N106 Li1 C104 137.9(4) . 2_655 ?
N103 Li1 C104 132.7(5) 2_655 . ?
N103 Li1 C104 31.1(3) . . ?
N106 Li1 C104 137.9(4) 2_655 . ?
N106 Li1 C104 55.8(2) . . ?
C104 Li1 C104 159.7(6) 2_655 . ?
N103 Li1 C105 56.7(3) 2_655 2_655 ?
N103 Li1 C105 142.0(3) . 2_655 ?
N106 Li1 C105 30.8(2) 2_655 2_655 ?
N106 Li1 C105 128.2(5) . 2_655 ?
C104 Li1 C105 26.5(2) 2_655 2_655 ?
C104 Li1 C105 168.0(4) . 2_655 ?
N103 Li1 C105 142.0(3) 2_655 . ?
N103 Li1 C105 56.7(3) . . ?
N106 Li1 C105 128.2(5) 2_655 . ?
N106 Li1 C105 30.8(2) . . ?
C104 Li1 C105 168.0(4) 2_655 . ?
C104 Li1 C105 26.5(2) . . ?
C105 Li1 C105 152.7(6) 2_655 . ?
Sn1 Sn1 Cl1 68.83(9) 2_656 . ?
Sn1 Sn1 Si1 68.00(4) 2_656 . ?
Cl1 Sn1 Si1 95.70(19) . . ?
Sn1 Sn1 Cl1 55.85(8) 2_656 2_656 ?
Cl1 Sn1 Cl1 13.33(14) . 2_656 ?
Si1 Sn1 Cl1 92.38(17) . 2_656 ?
Sn1 Sn1 Si1 59.09(3) 2_656 2_656 ?
Cl1 Sn1 Si1 94.42(14) . 2_656 ?
Si1 Sn1 Si1 117.38(4) . 2_656 ?
Cl1 Sn1 Si1 84.51(13) 2_656 2_656 ?
Cl1 Cl1 Sn1 110.38(17) 2_656 . ?
Cl1 Cl1 Sn1 56.29(16) 2_656 2_656 ?
Sn1 Cl1 Sn1 55.33(5) . 2_656 ?
Si11 Si1 Si12 105.55(7) . . ?
Si11 Si1 Si13 108.29(6) . . ?
Si12 Si1 Si13 102.95(7) . . ?
Si11 Si1 Sn1 144.91(7) . . ?
Si12 Si1 Sn1 90.57(6) . . ?
Si13 Si1 Sn1 97.75(5) . . ?
Si11 Si1 Sn1 92.23(5) . 2_656 ?
Si12 Si1 Sn1 118.57(6) . 2_656 ?
Si13 Si1 Sn1 126.52(6) . 2_656 ?
Sn1 Si1 Sn1 52.91(3) . 2_656 ?
C11M Si11 C11A 104.9(2) . . ?
C11M Si11 C11G 107.6(2) . . ?
C11A Si11 C11G 106.5(2) . . ?
C11M Si11 Si1 112.80(14) . . ?
C11A Si11 Si1 112.58(18) . . ?
C11G Si11 Si1 112.02(15) . . ?
C12C Si12 C12B 107.5(3) . . ?
C12C Si12 C12A 105.4(3) . . ?
C12B Si12 C12A 107.5(4) . . ?
C12C Si12 Si1 113.15(18) . . ?
C12B Si12 Si1 113.3(2) . . ?
C12A Si12 Si1 109.4(3) . . ?
C13A Si13 C13C 106.0(3) . . ?
C13A Si13 C13B 107.7(3) . . ?
C13C Si13 C13B 106.6(3) . . ?
C13A Si13 Si1 116.85(18) . . ?
C13C Si13 Si1 108.24(18) . . ?
C13B Si13 Si1 110.97(19) . . ?
C11N C11M C11P 116.1(4) . . ?
C11N C11M Si11 122.9(4) . . ?
C11P C11M Si11 120.9(4) . . ?
C11Q C11P C11M 122.5(5) . . ?
C11H C11G C11L 116.6(4) . . ?
C11H C11G Si11 121.9(3) . . ?
C11L C11G Si11 121.4(4) . . ?
C11B C11A C11F 117.2(5) . . ?
C11B C11A Si11 122.5(4) . . ?
C11F C11A Si11 120.3(4) . . ?
C11R C11Q C11P 119.4(6) . . ?
C11K C11L C11G 120.8(5) . . ?
C11I C11H C11G 121.8(5) . . ?
C11A C11F C11E 121.0(7) . . ?
C11M C11N C11O 122.4(5) . . ?
C11J C11I C11H 120.2(5) . . ?
C11R C11O C11N 118.5(5) . . ?
C11J C11K C11L 120.7(6) . . ?
C11I C11J C11K 119.8(5) . . ?
C11C C11D C11E 122.3(9) . . ?
C11A C11B C11C 119.0(7) . . ?
C11D C11E C11F 117.9(8) . . ?
C11D C11C C11B 122.4(9) . . ?
C11Q C11R C11O 121.1(5) . . ?
C105 C104 N103 121.4(7) . . ?
C105 C104 Li1 77.1(5) . . ?
N103 C104 Li1 47.1(3) . . ?
C104 C105 N106 121.1(8) . . ?
C104 C105 Li1 76.4(5) . . ?
N106 C105 Li1 49.6(3) . . ?
C101 N103 C104 114.7(8) . . ?
C101 N103 C102 105.7(8) . . ?
C104 N103 C102 109.2(8) . . ?
C101 N103 Li1 120.2(6) . . ?
C104 N103 Li1 101.8(5) . . ?
C102 N103 Li1 104.6(5) . . ?
C105 N106 C107 112.8(7) . . ?
C105 N106 C108 107.5(6) . . ?
C107 N106 C108 108.9(6) . . ?
C105 N106 Li1 99.6(4) . . ?
C107 N106 Li1 117.7(5) . . ?
C108 N106 Li1 109.7(5) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        23.27
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.267
_refine_diff_density_rms         0.056

# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.006 0.006 0.000 835 219 ' '
2 0.057 0.057 0.500 835 219 ' '
_platon_squeeze_details          ?

_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_database_code_depnum_ccdc_archive 'CCDC 1014870'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_rk3p-1_5

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C96 H132 Cl4 Si16 Sn4, C7 H8, C7 H8, C7 H8, C7 H8, C3.50 H3.50'
_chemical_formula_sum            'C127.50 H167.50 Cl4 Si16 Sn4'
_chemical_formula_weight         2766.11

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   17.0858(12)
_cell_length_b                   18.5269(12)
_cell_length_c                   24.0591(15)
_cell_angle_alpha                75.208(2)
_cell_angle_beta                 89.665(2)
_cell_angle_gamma                70.392(2)
_cell_volume                     6909.7(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    5517
_cell_measurement_theta_min      2.389
_cell_measurement_theta_max      25.396

_exptl_crystal_description       rod
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2849
_exptl_absorpt_coefficient_mu    0.975
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.9181
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker AXS Inc., 2005)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            49702
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0847
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.27
_diffrn_reflns_theta_max         25.42
_reflns_number_total             25261
_reflns_number_gt                16878
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v.2014.1-1 (Bruker AXS Inc., 2014)'
_computing_cell_refinement       'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'SHELXTL 5.1 (Bruker AXS Inc., 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0444P)²+15.2544P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         25261
_refine_ls_number_parameters     1342
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0919
_refine_ls_R_factor_gt           0.0520
_refine_ls_wR_factor_ref         0.1275
_refine_ls_wR_factor_gt          0.1086
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.16016(2) 0.50084(2) 0.227725(17) 0.01850(10) Uani 1 1 d . . .
Sn2 Sn 0.20608(2) 0.33225(2) 0.289553(17) 0.01938(10) Uani 1 1 d . . .
Sn3 Sn 0.03157(2) 0.35577(2) 0.308093(17) 0.01877(10) Uani 1 1 d . . .
Sn4 Sn -0.01683(2) 0.52150(2) 0.240018(17) 0.02043(10) Uani 1 1 d . . .
Cl1 Cl 0.16248(9) 0.50718(9) 0.12631(6) 0.0283(3) Uani 1 1 d . . .
Cl2 Cl 0.26992(9) 0.33873(9) 0.37685(6) 0.0270(3) Uani 1 1 d . . .
Cl3 Cl 0.00891(9) 0.28622(9) 0.24106(7) 0.0291(4) Uani 1 1 d . . .
Cl4 Cl -0.05232(10) 0.58143(9) 0.31920(7) 0.0304(4) Uani 1 1 d . . .
Si1 Si 0.22463(9) 0.61044(9) 0.23418(7) 0.0170(3) Uani 1 1 d . . .
Si2 Si 0.32503(9) 0.21644(9) 0.25996(7) 0.0176(3) Uani 1 1 d . . .
Si3 Si -0.01229(9) 0.28560(9) 0.40718(7) 0.0167(3) Uani 1 1 d . . .
Si4 Si -0.15201(10) 0.59572(10) 0.16534(7) 0.0210(4) Uani 1 1 d . . .
Si10 Si 0.18437(10) 0.63875(10) 0.32344(7) 0.0210(4) Uani 1 1 d . . .
Si11 Si 0.15069(10) 0.72443(10) 0.15945(7) 0.0222(4) Uani 1 1 d . . .
Si12 Si 0.37066(9) 0.58280(9) 0.22770(7) 0.0179(3) Uani 1 1 d . . .
Si20 Si 0.28956(11) 0.24640(10) 0.15900(7) 0.0253(4) Uani 1 1 d . . .
Si21 Si 0.44801(10) 0.24350(10) 0.27407(8) 0.0243(4) Uani 1 1 d . . .
Si22 Si 0.34752(9) 0.08029(9) 0.30699(7) 0.0188(4) Uani 1 1 d . . .
Si30 Si 0.04875(10) 0.14681(10) 0.41874(7) 0.0218(4) Uani 1 1 d . . .
Si31 Si 0.05487(10) 0.32275(10) 0.47612(7) 0.0219(4) Uani 1 1 d . . .
Si32 Si -0.15690(9) 0.31205(9) 0.41823(7) 0.0173(3) Uani 1 1 d . . .
Si40 Si -0.27033(11) 0.59902(11) 0.21857(8) 0.0291(4) Uani 1 1 d . . .
Si41 Si -0.13537(11) 0.50749(10) 0.10576(8) 0.0285(4) Uani 1 1 d . . .
Si42 Si -0.17365(10) 0.72840(10) 0.11043(7) 0.0207(4) Uani 1 1 d . . .
C10C C 0.1737(4) 0.5496(4) 0.3751(3) 0.0293(15) Uani 1 1 d . . .
H10A H 0.1572 0.5619 0.4116 0.044 Uiso 1 1 calc R . .
H10B H 0.2273 0.5056 0.3820 0.044 Uiso 1 1 calc R . .
H10C H 0.1312 0.5342 0.3589 0.044 Uiso 1 1 calc R . .
C10B C 0.2619(4) 0.6715(4) 0.3551(3) 0.0268(14) Uani 1 1 d . . .
H10D H 0.2442 0.6829 0.3917 0.040 Uiso 1 1 calc R . .
H10E H 0.2656 0.7197 0.3282 0.040 Uiso 1 1 calc R . .
H10F H 0.3167 0.6292 0.3619 0.040 Uiso 1 1 calc R . .
C10A C 0.0804(4) 0.7212(4) 0.3119(3) 0.0318(15) Uani 1 1 d . . .
H10G H 0.0645 0.7324 0.3489 0.048 Uiso 1 1 calc R . .
H10H H 0.0382 0.7050 0.2961 0.048 Uiso 1 1 calc R . .
H10I H 0.0842 0.7691 0.2849 0.048 Uiso 1 1 calc R . .
C11C C 0.0375(4) 0.7364(4) 0.1612(3) 0.0310(15) Uani 1 1 d . . .
H11A H 0.0048 0.7833 0.1306 0.046 Uiso 1 1 calc R . .
H11B H 0.0191 0.7432 0.1988 0.046 Uiso 1 1 calc R . .
H11C H 0.0293 0.6890 0.1551 0.046 Uiso 1 1 calc R . .
C11B C 0.1656(4) 0.8144(4) 0.1732(3) 0.0311(15) Uani 1 1 d . . .
H11D H 0.1349 0.8616 0.1422 0.047 Uiso 1 1 calc R . .
H11E H 0.2251 0.8074 0.1744 0.047 Uiso 1 1 calc R . .
H11F H 0.1447 0.8212 0.2102 0.047 Uiso 1 1 calc R . .
C11A C 0.1832(4) 0.7181(4) 0.0861(3) 0.0329(16) Uani 1 1 d . . .
H11G H 0.1502 0.7670 0.0573 0.049 Uiso 1 1 calc R . .
H11H H 0.1739 0.6724 0.0776 0.049 Uiso 1 1 calc R . .
H11I H 0.2425 0.7114 0.0850 0.049 Uiso 1 1 calc R . .
C20C C 0.1731(4) 0.2975(4) 0.1427(3) 0.0404(18) Uani 1 1 d . . .
H20A H 0.1586 0.3097 0.1012 0.061 Uiso 1 1 calc R . .
H20B H 0.1556 0.3469 0.1547 0.061 Uiso 1 1 calc R . .
H20C H 0.1446 0.2623 0.1638 0.061 Uiso 1 1 calc R . .
C20B C 0.3404(4) 0.3158(4) 0.1176(3) 0.0326(16) Uani 1 1 d . . .
H20D H 0.3252 0.3275 0.0762 0.049 Uiso 1 1 calc R . .
H20E H 0.4011 0.2910 0.1254 0.049 Uiso 1 1 calc R . .
H20F H 0.3217 0.3653 0.1294 0.049 Uiso 1 1 calc R . .
C20A C 0.3241(4) 0.1525(4) 0.1351(3) 0.0382(17) Uani 1 1 d . . .
H20G H 0.3093 0.1654 0.0936 0.057 Uiso 1 1 calc R . .
H20H H 0.2964 0.1165 0.1560 0.057 Uiso 1 1 calc R . .
H20I H 0.3847 0.1267 0.1432 0.057 Uiso 1 1 calc R . .
C21C C 0.4230(4) 0.3525(4) 0.2448(3) 0.0331(16) Uani 1 1 d . . .
H21A H 0.4728 0.3659 0.2499 0.050 Uiso 1 1 calc R . .
H21B H 0.3785 0.3808 0.2655 0.050 Uiso 1 1 calc R . .
H21C H 0.4045 0.3683 0.2037 0.050 Uiso 1 1 calc R . .
C21B C 0.4921(4) 0.2143(4) 0.3510(3) 0.0334(16) Uani 1 1 d . . .
H21D H 0.5427 0.2277 0.3525 0.050 Uiso 1 1 calc R . .
H21E H 0.5058 0.1569 0.3673 0.050 Uiso 1 1 calc R . .
H21F H 0.4508 0.2429 0.3734 0.050 Uiso 1 1 calc R . .
C21A C 0.5297(4) 0.1913(4) 0.2309(3) 0.0386(17) Uani 1 1 d . . .
H21G H 0.5811 0.2021 0.2364 0.058 Uiso 1 1 calc R . .
H21H H 0.5095 0.2108 0.1900 0.058 Uiso 1 1 calc R . .
H21I H 0.5410 0.1339 0.2441 0.058 Uiso 1 1 calc R . .
C30C C 0.1594(4) 0.1252(4) 0.4025(3) 0.0335(16) Uani 1 1 d . . .
H30A H 0.1862 0.0680 0.4069 0.050 Uiso 1 1 calc R . .
H30B H 0.1887 0.1416 0.4292 0.050 Uiso 1 1 calc R . .
H30C H 0.1619 0.1545 0.3628 0.050 Uiso 1 1 calc R . .
C30B C -0.0053(4) 0.1105(4) 0.3708(3) 0.0341(16) Uani 1 1 d . . .
H30D H 0.0224 0.0530 0.3772 0.051 Uiso 1 1 calc R . .
H30E H -0.0031 0.1376 0.3304 0.051 Uiso 1 1 calc R . .
H30F H -0.0636 0.1217 0.3794 0.051 Uiso 1 1 calc R . .
C30A C 0.0435(4) 0.0937(4) 0.4956(3) 0.0327(16) Uani 1 1 d . . .
H30G H 0.0686 0.0362 0.5011 0.049 Uiso 1 1 calc R . .
H30H H -0.0149 0.1070 0.5044 0.049 Uiso 1 1 calc R . .
H30I H 0.0740 0.1103 0.5214 0.049 Uiso 1 1 calc R . .
C31C C 0.0611(4) 0.4232(4) 0.4463(3) 0.0367(17) Uani 1 1 d . . .
H31A H 0.0890 0.4368 0.4756 0.055 Uiso 1 1 calc R . .
H31B H 0.0047 0.4624 0.4353 0.055 Uiso 1 1 calc R . .
H31C H 0.0929 0.4237 0.4123 0.055 Uiso 1 1 calc R . .
C31B C -0.0006(4) 0.3217(5) 0.5434(3) 0.0428(18) Uani 1 1 d . . .
H31D H 0.0285 0.3372 0.5708 0.064 Uiso 1 1 calc R . .
H31E H -0.0015 0.2680 0.5607 0.064 Uiso 1 1 calc R . .
H31F H -0.0580 0.3592 0.5339 0.064 Uiso 1 1 calc R . .
C31A C 0.1630(4) 0.2493(4) 0.4985(3) 0.0380(17) Uani 1 1 d . . .
H31G H 0.1903 0.2649 0.5268 0.057 Uiso 1 1 calc R . .
H31H H 0.1951 0.2481 0.4646 0.057 Uiso 1 1 calc R . .
H31I H 0.1603 0.1963 0.5158 0.057 Uiso 1 1 calc R . .
C40C C -0.2489(5) 0.5007(4) 0.2715(3) 0.0450(19) Uani 1 1 d . . .
H40A H -0.2974 0.5015 0.2936 0.067 Uiso 1 1 calc R . .
H40B H -0.2001 0.4892 0.2978 0.067 Uiso 1 1 calc R . .
H40C H -0.2379 0.4594 0.2509 0.067 Uiso 1 1 calc R . .
C40B C -0.2980(4) 0.6756(4) 0.2602(3) 0.0420(18) Uani 1 1 d . . .
H40D H -0.3471 0.6736 0.2809 0.063 Uiso 1 1 calc R . .
H40E H -0.3104 0.7286 0.2335 0.063 Uiso 1 1 calc R . .
H40F H -0.2510 0.6648 0.2879 0.063 Uiso 1 1 calc R . .
C40A C -0.3608(4) 0.6202(4) 0.1661(3) 0.0406(18) Uani 1 1 d . . .
H40G H -0.4106 0.6218 0.1869 0.061 Uiso 1 1 calc R . .
H40H H -0.3484 0.5781 0.1462 0.061 Uiso 1 1 calc R . .
H40I H -0.3708 0.6715 0.1378 0.061 Uiso 1 1 calc R . .
C41B C -0.0211(4) 0.4568(4) 0.1014(3) 0.0404(18) Uani 1 1 d . . .
H41A H -0.0137 0.4204 0.0770 0.061 Uiso 1 1 calc R . .
H41B H 0.0057 0.4267 0.1402 0.061 Uiso 1 1 calc R . .
H41C H 0.0043 0.4968 0.0848 0.061 Uiso 1 1 calc R . .
C41A C -0.1812(4) 0.4299(4) 0.1393(3) 0.0441(19) Uani 1 1 d . . .
H41D H -0.1745 0.3935 0.1149 0.066 Uiso 1 1 calc R . .
H41E H -0.2407 0.4555 0.1428 0.066 Uiso 1 1 calc R . .
H41F H -0.1526 0.4001 0.1776 0.066 Uiso 1 1 calc R . .
C41C C -0.1867(5) 0.5594(4) 0.0310(3) 0.052(2) Uani 1 1 d . . .
H41G H -0.1780 0.5205 0.0085 0.077 Uiso 1 1 calc R . .
H41H H -0.1624 0.5996 0.0126 0.077 Uiso 1 1 calc R . .
H41I H -0.2466 0.5852 0.0328 0.077 Uiso 1 1 calc R . .
C100 C 0.4161(4) 0.5316(3) 0.1709(2) 0.0209(13) Uani 1 1 d . . .
C101 C 0.5023(4) 0.4986(3) 0.1708(3) 0.0270(14) Uani 1 1 d . . .
H10J H 0.5372 0.4997 0.2010 0.032 Uiso 1 1 calc R . .
C102 C 0.5383(5) 0.4645(4) 0.1280(3) 0.0426(19) Uani 1 1 d . . .
H10K H 0.5972 0.4413 0.1294 0.051 Uiso 1 1 calc R . .
C103 C 0.4887(5) 0.4640(4) 0.0831(3) 0.0442(19) Uani 1 1 d . . .
H10L H 0.5133 0.4420 0.0529 0.053 Uiso 1 1 calc R . .
C104 C 0.4034(4) 0.4955(4) 0.0825(3) 0.0384(17) Uani 1 1 d . . .
H10M H 0.3689 0.4938 0.0524 0.046 Uiso 1 1 calc R . .
C105 C 0.3676(4) 0.5294(3) 0.1254(3) 0.0268(14) Uani 1 1 d . . .
H10N H 0.3086 0.5518 0.1239 0.032 Uiso 1 1 calc R . .
C110 C 0.3835(3) 0.6831(3) 0.2042(3) 0.0202(13) Uani 1 1 d . . .
C111 C 0.3895(3) 0.7260(3) 0.2435(3) 0.0248(14) Uani 1 1 d . . .
H11J H 0.3892 0.7030 0.2836 0.030 Uiso 1 1 calc R . .
C112 C 0.3958(4) 0.8005(4) 0.2254(3) 0.0297(15) Uani 1 1 d . . .
H11K H 0.4019 0.8274 0.2530 0.036 Uiso 1 1 calc R . .
C113 C 0.3931(4) 0.8357(4) 0.1676(3) 0.0355(17) Uani 1 1 d . . .
H11L H 0.3948 0.8881 0.1551 0.043 Uiso 1 1 calc R . .
C114 C 0.3881(4) 0.7952(4) 0.1275(3) 0.0323(15) Uani 1 1 d . . .
H11M H 0.3872 0.8193 0.0874 0.039 Uiso 1 1 calc R . .
C115 C 0.3843(3) 0.7189(3) 0.1462(3) 0.0247(14) Uani 1 1 d . . .
H11N H 0.3823 0.6907 0.1186 0.030 Uiso 1 1 calc R . .
C120 C 0.4291(3) 0.5286(3) 0.3006(2) 0.0192(13) Uani 1 1 d . . .
C121 C 0.4978(4) 0.5441(4) 0.3188(3) 0.0267(14) Uani 1 1 d . . .
H12A H 0.5186 0.5795 0.2924 0.032 Uiso 1 1 calc R . .
C122 C 0.5365(4) 0.5096(4) 0.3740(3) 0.0342(16) Uani 1 1 d . . .
H12B H 0.5833 0.5212 0.3850 0.041 Uiso 1 1 calc R . .
C123 C 0.5070(4) 0.4581(4) 0.4133(3) 0.0380(18) Uani 1 1 d . . .
H12C H 0.5322 0.4355 0.4517 0.046 Uiso 1 1 calc R . .
C124 C 0.4401(4) 0.4397(4) 0.3960(3) 0.0329(16) Uani 1 1 d . . .
H12D H 0.4211 0.4023 0.4219 0.039 Uiso 1 1 calc R . .
C125 C 0.4019(4) 0.4757(3) 0.3414(3) 0.0245(14) Uani 1 1 d . . .
H12E H 0.3548 0.4642 0.3307 0.029 Uiso 1 1 calc R . .
C200 C 0.2628(3) 0.0473(3) 0.2838(2) 0.0207(13) Uani 1 1 d . . .
C201 C 0.1867(4) 0.1016(4) 0.2557(3) 0.0268(14) Uani 1 1 d . . .
H20J H 0.1755 0.1569 0.2500 0.032 Uiso 1 1 calc R . .
C202 C 0.1270(4) 0.0763(4) 0.2359(3) 0.0383(17) Uani 1 1 d . . .
H20K H 0.0755 0.1143 0.2169 0.046 Uiso 1 1 calc R . .
C203 C 0.1419(4) -0.0035(4) 0.2437(3) 0.0392(18) Uani 1 1 d . . .
H20L H 0.1013 -0.0209 0.2300 0.047 Uiso 1 1 calc R . .
C204 C 0.2153(4) -0.0570(4) 0.2713(3) 0.0359(17) Uani 1 1 d . . .
H20M H 0.2257 -0.1121 0.2768 0.043 Uiso 1 1 calc R . .
C205 C 0.2758(4) -0.0329(3) 0.2920(3) 0.0283(15) Uani 1 1 d . . .
H20N H 0.3264 -0.0717 0.3117 0.034 Uiso 1 1 calc R . .
C210 C 0.3647(3) 0.0580(3) 0.3874(2) 0.0199(13) Uani 1 1 d . . .
C211 C 0.3591(3) 0.1170(3) 0.4155(2) 0.0210(13) Uani 1 1 d . . .
H21J H 0.3445 0.1708 0.3933 0.025 Uiso 1 1 calc R . .
C212 C 0.3744(4) 0.0988(4) 0.4743(3) 0.0278(14) Uani 1 1 d . . .
H21K H 0.3704 0.1400 0.4922 0.033 Uiso 1 1 calc R . .
C213 C 0.3953(4) 0.0221(4) 0.5073(3) 0.0340(16) Uani 1 1 d . . .
H21L H 0.4067 0.0097 0.5479 0.041 Uiso 1 1 calc R . .
C214 C 0.3997(4) -0.0375(4) 0.4814(3) 0.0351(16) Uani 1 1 d . . .
H21M H 0.4125 -0.0907 0.5043 0.042 Uiso 1 1 calc R . .
C215 C 0.3856(4) -0.0199(4) 0.4222(3) 0.0292(15) Uani 1 1 d . . .
H21N H 0.3902 -0.0616 0.4048 0.035 Uiso 1 1 calc R . .
C220 C 0.4487(3) 0.0178(3) 0.2841(2) 0.0208(13) Uani 1 1 d . . .
C221 C 0.4512(4) -0.0162(4) 0.2385(3) 0.0318(16) Uani 1 1 d . . .
H22A H 0.4006 -0.0092 0.2182 0.038 Uiso 1 1 calc R . .
C222 C 0.5263(4) -0.0601(4) 0.2223(3) 0.045(2) Uani 1 1 d . . .
H22B H 0.5265 -0.0835 0.1915 0.054 Uiso 1 1 calc R . .
C223 C 0.6004(4) -0.0703(4) 0.2503(3) 0.046(2) Uani 1 1 d . . .
H22C H 0.6517 -0.1003 0.2388 0.055 Uiso 1 1 calc R . .
C224 C 0.5997(4) -0.0369(4) 0.2949(3) 0.0422(19) Uani 1 1 d . . .
H22D H 0.6508 -0.0429 0.3142 0.051 Uiso 1 1 calc R . .
C225 C 0.5248(4) 0.0058(4) 0.3119(3) 0.0342(16) Uani 1 1 d . . .
H22E H 0.5255 0.0276 0.3436 0.041 Uiso 1 1 calc R . .
C300 C -0.2046(3) 0.4074(3) 0.4404(2) 0.0211(13) Uani 1 1 d . . .
C301 C -0.1779(4) 0.4716(3) 0.4205(3) 0.0294(15) Uani 1 1 d . . .
H30J H -0.1336 0.4673 0.3961 0.035 Uiso 1 1 calc R . .
C302 C -0.2150(4) 0.5421(4) 0.4357(3) 0.0388(17) Uani 1 1 d . . .
H30K H -0.1963 0.5858 0.4216 0.047 Uiso 1 1 calc R . .
C303 C -0.2791(4) 0.5486(4) 0.4714(3) 0.0413(18) Uani 1 1 d . . .
H30L H -0.3044 0.5967 0.4819 0.050 Uiso 1 1 calc R . .
C304 C -0.3066(4) 0.4860(4) 0.4917(3) 0.0324(16) Uani 1 1 d . . .
H30M H -0.3509 0.4908 0.5161 0.039 Uiso 1 1 calc R . .
C305 C -0.2696(3) 0.4155(4) 0.4765(2) 0.0243(14) Uani 1 1 d . . .
H30N H -0.2887 0.3722 0.4909 0.029 Uiso 1 1 calc R . .
C310 C -0.2194(3) 0.3148(3) 0.3532(2) 0.0215(13) Uani 1 1 d . . .
C311 C -0.1843(4) 0.2900(3) 0.3057(3) 0.0232(13) Uani 1 1 d . . .
H31J H -0.1255 0.2716 0.3044 0.028 Uiso 1 1 calc R . .
C312 C -0.2364(4) 0.2926(4) 0.2601(3) 0.0325(16) Uani 1 1 d . . .
H31K H -0.2124 0.2757 0.2279 0.039 Uiso 1 1 calc R . .
C313 C -0.3215(4) 0.3191(4) 0.2609(3) 0.0377(17) Uani 1 1 d . . .
H31L H -0.3561 0.3208 0.2295 0.045 Uiso 1 1 calc R . .
C314 C -0.3564(4) 0.3433(4) 0.3078(3) 0.0364(17) Uani 1 1 d . . .
H31M H -0.4153 0.3623 0.3086 0.044 Uiso 1 1 calc R . .
C315 C -0.3063(4) 0.3402(3) 0.3535(3) 0.0272(14) Uani 1 1 d . . .
H31N H -0.3312 0.3556 0.3860 0.033 Uiso 1 1 calc R . .
C320 C -0.1679(3) 0.2287(3) 0.4777(2) 0.0191(13) Uani 1 1 d . . .
C321 C -0.1507(3) 0.2211(3) 0.5362(3) 0.0246(14) Uani 1 1 d . . .
H32A H -0.1327 0.2596 0.5464 0.029 Uiso 1 1 calc R . .
C322 C -0.1590(4) 0.1593(4) 0.5796(3) 0.0312(15) Uani 1 1 d . . .
H32B H -0.1471 0.1564 0.6188 0.037 Uiso 1 1 calc R . .
C323 C -0.1841(4) 0.1025(4) 0.5666(3) 0.0346(16) Uani 1 1 d . . .
H32C H -0.1892 0.0599 0.5964 0.042 Uiso 1 1 calc R . .
C324 C -0.2023(4) 0.1079(4) 0.5092(3) 0.0318(16) Uani 1 1 d . . .
H32D H -0.2207 0.0692 0.4997 0.038 Uiso 1 1 calc R . .
C325 C -0.1937(3) 0.1695(3) 0.4655(3) 0.0242(14) Uani 1 1 d . . .
H32E H -0.2056 0.1717 0.4265 0.029 Uiso 1 1 calc R . .
C400 C -0.1069(3) 0.7311(3) 0.0477(3) 0.0220(13) Uani 1 1 d . . .
C401 C -0.1346(4) 0.7919(4) -0.0035(3) 0.0290(15) Uani 1 1 d . . .
H40J H -0.1864 0.8335 -0.0057 0.035 Uiso 1 1 calc R . .
C402 C -0.0888(4) 0.7932(4) -0.0511(3) 0.0383(17) Uani 1 1 d . . .
H40K H -0.1094 0.8347 -0.0857 0.046 Uiso 1 1 calc R . .
C403 C -0.0125(4) 0.7333(4) -0.0479(3) 0.0389(18) Uani 1 1 d . . .
H40L H 0.0190 0.7333 -0.0806 0.047 Uiso 1 1 calc R . .
C404 C 0.0178(4) 0.6737(4) 0.0024(3) 0.0356(17) Uani 1 1 d . . .
H40M H 0.0711 0.6339 0.0050 0.043 Uiso 1 1 calc R . .
C405 C -0.0295(4) 0.6718(4) 0.0494(3) 0.0308(15) Uani 1 1 d . . .
H40N H -0.0090 0.6293 0.0835 0.037 Uiso 1 1 calc R . .
C410 C -0.1658(3) 0.7959(4) 0.1549(3) 0.0236(14) Uani 1 1 d . . .
C411 C -0.1768(4) 0.8753(4) 0.1278(3) 0.0314(15) Uani 1 1 d . . .
H41J H -0.1828 0.8927 0.0868 0.038 Uiso 1 1 calc R . .
C412 C -0.1791(4) 0.9288(4) 0.1585(3) 0.0411(18) Uani 1 1 d . . .
H41K H -0.1866 0.9825 0.1389 0.049 Uiso 1 1 calc R . .
C413 C -0.1704(4) 0.9043(5) 0.2182(3) 0.0440(19) Uani 1 1 d . . .
H41L H -0.1723 0.9412 0.2397 0.053 Uiso 1 1 calc R . .
C414 C -0.1591(4) 0.8269(4) 0.2460(3) 0.0374(17) Uani 1 1 d . . .
H41M H -0.1530 0.8102 0.2869 0.045 Uiso 1 1 calc R . .
C415 C -0.1562(3) 0.7729(4) 0.2154(3) 0.0252(14) Uani 1 1 d . . .
H41N H -0.1477 0.7192 0.2355 0.030 Uiso 1 1 calc R . .
C420 C -0.2858(3) 0.7710(3) 0.0790(3) 0.0225(13) Uani 1 1 d . . .
C421 C -0.3110(4) 0.7548(4) 0.0302(3) 0.0306(15) Uani 1 1 d . . .
H42A H -0.2705 0.7226 0.0112 0.037 Uiso 1 1 calc R . .
C422 C -0.3939(4) 0.7844(4) 0.0087(3) 0.0405(18) Uani 1 1 d . . .
H42B H -0.4096 0.7725 -0.0247 0.049 Uiso 1 1 calc R . .
C423 C -0.4538(4) 0.8312(5) 0.0356(3) 0.0462(19) Uani 1 1 d . . .
H42C H -0.5107 0.8507 0.0212 0.055 Uiso 1 1 calc R . .
C424 C -0.4309(4) 0.8497(4) 0.0835(3) 0.0429(19) Uani 1 1 d . . .
H42D H -0.4715 0.8830 0.1018 0.051 Uiso 1 1 calc R . .
C425 C -0.3476(4) 0.8190(4) 0.1049(3) 0.0314(15) Uani 1 1 d . . .
H42E H -0.3323 0.8312 0.1384 0.038 Uiso 1 1 calc R . .
C500 C 0.5521(5) 0.7613(4) 0.4246(4) 0.049(2) Uani 1 1 d . . .
C501 C 0.4933(5) 0.7658(5) 0.3832(4) 0.055(2) Uani 1 1 d . . .
H50A H 0.5059 0.7730 0.3441 0.066 Uiso 1 1 calc R . .
C502 C 0.4183(5) 0.7602(5) 0.3973(4) 0.060(2) Uani 1 1 d . . .
H50B H 0.3796 0.7628 0.3680 0.072 Uiso 1 1 calc R . .
C503 C 0.3971(5) 0.7508(4) 0.4540(4) 0.052(2) Uani 1 1 d . . .
H50C H 0.3440 0.7482 0.4638 0.062 Uiso 1 1 calc R . .
C504 C 0.4546(5) 0.7454(4) 0.4949(3) 0.051(2) Uani 1 1 d . . .
H50D H 0.4424 0.7377 0.5341 0.061 Uiso 1 1 calc R . .
C505 C 0.5318(5) 0.7511(4) 0.4796(4) 0.0469(19) Uani 1 1 d . . .
H50E H 0.5711 0.7478 0.5088 0.056 Uiso 1 1 calc R . .
C506 C 0.6335(5) 0.7689(5) 0.4071(4) 0.072(3) Uani 1 1 d . . .
H50F H 0.6678 0.7643 0.4412 0.108 Uiso 1 1 calc R . .
H50G H 0.6235 0.8208 0.3795 0.108 Uiso 1 1 calc R . .
H50H H 0.6627 0.7266 0.3890 0.108 Uiso 1 1 calc R . .
C510 C -0.1272(5) -0.0123(6) 0.3313(4) 0.065(3) Uani 1 1 d . . .
C511 C -0.1724(5) 0.0675(6) 0.3157(4) 0.066(3) Uani 1 1 d . . .
H51A H -0.1515 0.1029 0.2893 0.080 Uiso 1 1 calc R . .
C512 C -0.2491(5) 0.0981(5) 0.3380(4) 0.060(2) Uani 1 1 d . . .
H51B H -0.2802 0.1535 0.3260 0.072 Uiso 1 1 calc R . .
C513 C -0.2783(5) 0.0493(5) 0.3761(4) 0.056(2) Uani 1 1 d . . .
H51C H -0.3288 0.0703 0.3926 0.068 Uiso 1 1 calc R . .
C514 C -0.2349(6) -0.0324(5) 0.3918(4) 0.064(2) Uani 1 1 d . . .
H51D H -0.2566 -0.0673 0.4180 0.077 Uiso 1 1 calc R . .
C515 C -0.1606(5) -0.0627(5) 0.3692(4) 0.059(2) Uani 1 1 d . . .
H51E H -0.1316 -0.1185 0.3796 0.071 Uiso 1 1 calc R . .
C516 C -0.0454(5) -0.0445(7) 0.3088(5) 0.101(4) Uani 1 1 d . . .
H51F H -0.0320 -0.0008 0.2829 0.152 Uiso 1 1 calc R . .
H51G H -0.0480 -0.0823 0.2875 0.152 Uiso 1 1 calc R . .
H51H H -0.0021 -0.0717 0.3411 0.152 Uiso 1 1 calc R . .
C520 C 0.3343(5) -0.0424(6) -0.0332(4) 0.066(3) Uani 1 1 d . . .
C521 C 0.3458(6) 0.0000(5) 0.0041(5) 0.076(3) Uani 1 1 d . . .
H52A H 0.3880 0.0234 -0.0020 0.091 Uiso 1 1 calc R . .
C522 C 0.2991(7) 0.0088(5) 0.0484(5) 0.075(3) Uani 1 1 d . . .
H52B H 0.3099 0.0368 0.0738 0.090 Uiso 1 1 calc R . .
C523 C 0.2373(6) -0.0211(5) 0.0579(4) 0.066(3) Uani 1 1 d . . .
H52C H 0.2037 -0.0130 0.0889 0.079 Uiso 1 1 calc R . .
C524 C 0.2231(5) -0.0637(5) 0.0220(4) 0.053(2) Uani 1 1 d . . .
H52D H 0.1797 -0.0854 0.0287 0.064 Uiso 1 1 calc R . .
C525 C 0.2708(5) -0.0751(5) -0.0229(4) 0.059(2) Uani 1 1 d . . .
H52E H 0.2610 -0.1050 -0.0470 0.071 Uiso 1 1 calc R . .
C526 C 0.3874(8) -0.0477(8) -0.0821(5) 0.144(5) Uani 1 1 d . . .
H52F H 0.4273 -0.0206 -0.0800 0.216 Uiso 1 1 calc R . .
H52G H 0.3523 -0.0222 -0.1186 0.216 Uiso 1 1 calc R . .
H52H H 0.4178 -0.1037 -0.0799 0.216 Uiso 1 1 calc R . .
C531 C 0.3074(8) 0.6946(8) -0.0350(6) 0.118(4) Uiso 1 1 d D . .
H53X H 0.3290 0.6367 -0.0312 0.141 Uiso 0.90 1 calc PR A 1
H53Y H 0.2948 0.7008 0.0041 0.141 Uiso 0.90 1 calc PR A 1
C530 C 0.3721(9) 0.7206(9) -0.0488(6) 0.070(4) Uiso 0.60 1 d PD B 1
C532 C 0.2341(11) 0.7234(11) -0.0666(7) 0.093(6) Uiso 0.60 1 d PD B 1
H532 H 0.1907 0.7052 -0.0510 0.112 Uiso 0.60 1 calc PR B 1
C533 C 0.2171(13) 0.7775(11) -0.1199(8) 0.109(7) Uiso 0.60 1 d PD B 1
H533 H 0.1644 0.7978 -0.1416 0.131 Uiso 0.60 1 calc PR B 1
C534 C 0.2824(11) 0.7987(12) -0.1383(8) 0.097(7) Uiso 0.60 1 d PD B 1
H534 H 0.2785 0.8328 -0.1759 0.117 Uiso 0.60 1 calc PR B 1
C535 C 0.3561(11) 0.7711(10) -0.1025(7) 0.087(5) Uiso 0.60 1 d PD B 1
H535 H 0.3996 0.7897 -0.1173 0.105 Uiso 0.60 1 calc PR B 1
C536 C 0.4433(11) 0.6966(11) -0.0125(8) 0.099(6) Uiso 0.60 1 d P B 1
H53A H 0.4815 0.7229 -0.0310 0.149 Uiso 0.60 1 calc PR B 1
H53B H 0.4704 0.6388 -0.0043 0.149 Uiso 0.60 1 calc PR B 1
H53C H 0.4287 0.7109 0.0236 0.149 Uiso 0.60 1 calc PR B 1
C540 C 0.2830(9) 0.7470(10) -0.0853(7) 0.184(18) Uiso 0.40 1 d PGD B 2
C541 C 0.1986(10) 0.7577(6) -0.0828(7) 0.100(10) Uiso 0.40 1 d PGD B 2
H541 H 0.1807 0.7252 -0.0519 0.120 Uiso 0.40 1 calc PR B 2
C542 C 0.1406(8) 0.8159(9) -0.1255(6) 0.125(12) Uiso 0.40 1 d PGD B 2
H542 H 0.0830 0.8232 -0.1238 0.151 Uiso 0.40 1 calc PR B 2
C543 C 0.1669(9) 0.8634(9) -0.1708(5) 0.115(10) Uiso 0.40 1 d PGD B 2
H543 H 0.1273 0.9032 -0.2000 0.137 Uiso 0.40 1 calc PR B 2
C544 C 0.2512(10) 0.8527(10) -0.1732(6) 0.107(10) Uiso 0.40 1 d PGD B 2
H544 H 0.2692 0.8852 -0.2041 0.128 Uiso 0.40 1 calc PR B 2
C545 C 0.3093(8) 0.7945(12) -0.1305(7) 0.084(9) Uiso 0.40 1 d PGD B 2
H545 H 0.3669 0.7872 -0.1322 0.101 Uiso 0.40 1 calc PR B 2
C600 C -0.0131(4) 0.9518(5) 0.0520(3) 0.064(2) Uani 1 1 d G . .
H600 H -0.0285 0.9219 0.0890 0.12(4) Uiso 1 1 d G . .
C601 C -0.0044(3) 0.9303(4) 0.0019(3) 0.064(3) Uani 1 1 d G . .
H60D H -0.0113 0.8813 0.0024 0.077 Uiso 1 1 calc R . .
C602 C 0.0133(5) 0.9720(6) -0.0495(4) 0.060(2) Uani 1 1 d . . .
C603 C 0.0284(12) 0.9442(11) -0.0996(9) 0.083(6) Uani 0.50 1 d P . .
H60F H 0.0373 0.9853 -0.1311 0.124 Uiso 0.50 1 calc PR . .
H60G H -0.0198 0.9320 -0.1108 0.124 Uiso 0.50 1 calc PR . .
H60H H 0.0781 0.8960 -0.0915 0.124 Uiso 0.50 1 calc PR . .


_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 Cl1 2.4134(15) . ?
Sn1 Si1 2.6506(15) . ?
Sn1 Sn2 2.9292(6) . ?
Sn1 Sn4 2.9409(6) . ?
Sn2 Cl2 2.4204(15) . ?
Sn2 Si2 2.6605(15) . ?
Sn2 Sn3 2.9140(6) . ?
Sn3 Cl3 2.4112(14) . ?
Sn3 Si3 2.6430(16) . ?
Sn3 Sn4 2.9220(6) . ?
Sn4 Cl4 2.4175(15) . ?
Sn4 Si4 2.6663(17) . ?
Si1 Si11 2.363(2) . ?
Si1 Si10 2.382(2) . ?
Si1 Si12 2.385(2) . ?
Si2 Si21 2.363(2) . ?
Si2 Si20 2.383(2) . ?
Si2 Si22 2.385(2) . ?
Si3 Si30 2.370(2) . ?
Si3 Si32 2.379(2) . ?
Si3 Si31 2.383(2) . ?
Si4 Si40 2.378(2) . ?
Si4 Si42 2.380(2) . ?
Si4 Si41 2.385(2) . ?
Si10 C10C 1.859(6) . ?
Si10 C10B 1.869(6) . ?
Si10 C10A 1.880(6) . ?
Si11 C11A 1.866(6) . ?
Si11 C11C 1.873(6) . ?
Si11 C11B 1.876(6) . ?
Si12 C100 1.877(6) . ?
Si12 C120 1.879(6) . ?
Si12 C110 1.886(6) . ?
Si20 C20B 1.868(6) . ?
Si20 C20A 1.876(6) . ?
Si20 C20C 1.888(7) . ?
Si21 C21C 1.859(6) . ?
Si21 C21B 1.876(6) . ?
Si21 C21A 1.884(6) . ?
Si22 C210 1.876(6) . ?
Si22 C200 1.886(6) . ?
Si22 C220 1.898(5) . ?
Si30 C30C 1.858(6) . ?
Si30 C30B 1.861(6) . ?
Si30 C30A 1.877(6) . ?
Si31 C31C 1.856(6) . ?
Si31 C31B 1.869(6) . ?
Si31 C31A 1.873(6) . ?
Si32 C320 1.879(6) . ?
Si32 C310 1.879(6) . ?
Si32 C300 1.891(6) . ?
Si40 C40C 1.857(7) . ?
Si40 C40A 1.871(7) . ?
Si40 C40B 1.873(6) . ?
Si41 C41A 1.867(7) . ?
Si41 C41C 1.871(7) . ?
Si41 C41B 1.876(6) . ?
Si42 C410 1.878(6) . ?
Si42 C400 1.888(6) . ?
Si42 C420 1.888(6) . ?
C100 C101 1.392(8) . ?
C100 C105 1.396(8) . ?
C101 C102 1.380(8) . ?
C102 C103 1.381(10) . ?
C103 C104 1.375(10) . ?
C104 C105 1.378(8) . ?
C110 C115 1.386(8) . ?
C110 C111 1.406(7) . ?
C111 C112 1.378(8) . ?
C112 C113 1.371(9) . ?
C113 C114 1.385(9) . ?
C114 C115 1.394(8) . ?
C120 C121 1.396(8) . ?
C120 C125 1.397(8) . ?
C121 C122 1.378(9) . ?
C122 C123 1.384(9) . ?
C123 C124 1.392(9) . ?
C124 C125 1.365(8) . ?
C200 C205 1.388(8) . ?
C200 C201 1.394(8) . ?
C201 C202 1.389(8) . ?
C202 C203 1.376(9) . ?
C203 C204 1.354(9) . ?
C204 C205 1.395(8) . ?
C210 C215 1.397(8) . ?
C210 C211 1.402(7) . ?
C211 C212 1.375(8) . ?
C212 C213 1.365(9) . ?
C213 C214 1.382(8) . ?
C214 C215 1.379(8) . ?
C220 C225 1.390(8) . ?
C220 C221 1.391(8) . ?
C221 C222 1.384(8) . ?
C222 C223 1.369(9) . ?
C223 C224 1.367(9) . ?
C224 C225 1.382(8) . ?
C300 C301 1.386(8) . ?
C300 C305 1.399(8) . ?
C301 C302 1.388(8) . ?
C302 C303 1.380(9) . ?
C303 C304 1.370(9) . ?
C304 C305 1.386(8) . ?
C310 C311 1.395(8) . ?
C310 C315 1.400(8) . ?
C311 C312 1.399(8) . ?
C312 C313 1.371(9) . ?
C313 C314 1.379(9) . ?
C314 C315 1.375(8) . ?
C320 C321 1.401(8) . ?
C320 C325 1.404(8) . ?
C321 C322 1.386(8) . ?
C322 C323 1.364(9) . ?
C323 C324 1.389(9) . ?
C324 C325 1.388(8) . ?
C400 C401 1.397(8) . ?
C400 C405 1.400(8) . ?
C401 C402 1.382(8) . ?
C402 C403 1.388(9) . ?
C403 C404 1.376(10) . ?
C404 C405 1.386(8) . ?
C410 C411 1.396(8) . ?
C410 C415 1.401(8) . ?
C411 C412 1.371(8) . ?
C412 C413 1.383(10) . ?
C413 C414 1.367(10) . ?
C414 C415 1.373(8) . ?
C420 C421 1.387(8) . ?
C420 C425 1.393(8) . ?
C421 C422 1.385(8) . ?
C422 C423 1.378(9) . ?
C423 C424 1.376(9) . ?
C424 C425 1.388(9) . ?
C500 C505 1.348(10) . ?
C500 C501 1.387(10) . ?
C500 C506 1.493(10) . ?
C501 C502 1.354(10) . ?
C502 C503 1.393(11) . ?
C503 C504 1.356(10) . ?
C504 C505 1.398(10) . ?
C510 C511 1.370(12) . ?
C510 C515 1.396(12) . ?
C510 C516 1.482(11) . ?
C511 C512 1.406(11) . ?
C512 C513 1.334(11) . ?
C513 C514 1.395(11) . ?
C514 C515 1.374(11) . ?
C520 C521 1.389(13) . ?
C520 C525 1.401(12) . ?
C520 C526 1.485(13) . ?
C521 C522 1.339(13) . ?
C522 C523 1.341(12) . ?
C523 C524 1.380(11) . ?
C524 C525 1.366(11) . ?
C531 C540 1.31(2) . ?
C531 C532 1.336(13) . ?
C531 C530 1.357(12) . ?
C531 C541 2.00(2) . ?
C530 C535 1.354(13) . ?
C530 C536 1.37(2) . ?
C532 C533 1.374(14) . ?
C533 C534 1.340(13) . ?
C534 C535 1.394(14) . ?
C540 C541 1.3900 . ?
C540 C545 1.3900 . ?
C541 C542 1.3900 . ?
C542 C543 1.3900 . ?
C543 C544 1.3900 . ?
C544 C545 1.3900 . ?
C600 C601 1.3563 . ?
C600 C602 1.396(11) 2_575 ?
C601 C602 1.371(11) . ?
C602 C600 1.396(14) 2_575 ?
C602 C603 1.418(19) . ?

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
Cl1 Sn1 Si1 101.75(5) . . ?
Cl1 Sn1 Sn2 106.41(4) . . ?
Si1 Sn1 Sn2 132.14(4) . . ?
Cl1 Sn1 Sn4 98.89(4) . . ?
Si1 Sn1 Sn4 123.12(3) . . ?
Sn2 Sn1 Sn4 89.823(15) . . ?
Cl2 Sn2 Si2 102.48(5) . . ?
Cl2 Sn2 Sn3 106.56(4) . . ?
Si2 Sn2 Sn3 131.87(4) . . ?
Cl2 Sn2 Sn1 97.16(4) . . ?
Si2 Sn2 Sn1 123.57(4) . . ?
Sn3 Sn2 Sn1 89.928(15) . . ?
Cl3 Sn3 Si3 104.86(5) . . ?
Cl3 Sn3 Sn2 96.60(4) . . ?
Si3 Sn3 Sn2 121.26(4) . . ?
Cl3 Sn3 Sn4 104.38(4) . . ?
Si3 Sn3 Sn4 133.13(4) . . ?
Sn2 Sn3 Sn4 90.493(15) . . ?
Cl4 Sn4 Si4 103.42(5) . . ?
Cl4 Sn4 Sn3 97.18(4) . . ?
Si4 Sn4 Sn3 124.03(4) . . ?
Cl4 Sn4 Sn1 105.11(4) . . ?
Si4 Sn4 Sn1 131.97(4) . . ?
Sn3 Sn4 Sn1 89.542(15) . . ?
Si11 Si1 Si10 107.42(8) . . ?
Si11 Si1 Si12 109.07(8) . . ?
Si10 Si1 Si12 110.95(8) . . ?
Si11 Si1 Sn1 105.52(7) . . ?
Si10 Si1 Sn1 103.86(7) . . ?
Si12 Si1 Sn1 119.31(7) . . ?
Si21 Si2 Si20 108.91(8) . . ?
Si21 Si2 Si22 109.12(8) . . ?
Si20 Si2 Si22 111.50(8) . . ?
Si21 Si2 Sn2 103.80(7) . . ?
Si20 Si2 Sn2 102.06(7) . . ?
Si22 Si2 Sn2 120.71(7) . . ?
Si30 Si3 Si32 106.50(8) . . ?
Si30 Si3 Si31 109.55(8) . . ?
Si32 Si3 Si31 112.91(8) . . ?
Si30 Si3 Sn3 106.43(7) . . ?
Si32 Si3 Sn3 118.25(7) . . ?
Si31 Si3 Sn3 102.87(7) . . ?
Si40 Si4 Si42 107.20(8) . . ?
Si40 Si4 Si41 109.93(9) . . ?
Si42 Si4 Si41 112.15(9) . . ?
Si40 Si4 Sn4 107.41(8) . . ?
Si42 Si4 Sn4 117.83(7) . . ?
Si41 Si4 Sn4 102.10(7) . . ?
C10C Si10 C10B 110.0(3) . . ?
C10C Si10 C10A 107.7(3) . . ?
C10B Si10 C10A 107.8(3) . . ?
C10C Si10 Si1 110.19(19) . . ?
C10B Si10 Si1 110.82(19) . . ?
C10A Si10 Si1 110.1(2) . . ?
C11A Si11 C11C 109.0(3) . . ?
C11A Si11 C11B 108.3(3) . . ?
C11C Si11 C11B 108.9(3) . . ?
C11A Si11 Si1 113.7(2) . . ?
C11C Si11 Si1 107.2(2) . . ?
C11B Si11 Si1 109.6(2) . . ?
C100 Si12 C120 112.0(2) . . ?
C100 Si12 C110 105.1(2) . . ?
C120 Si12 C110 108.3(3) . . ?
C100 Si12 Si1 115.18(19) . . ?
C120 Si12 Si1 110.31(18) . . ?
C110 Si12 Si1 105.38(18) . . ?
C20B Si20 C20A 109.2(3) . . ?
C20B Si20 C20C 107.6(3) . . ?
C20A Si20 C20C 109.9(3) . . ?
C20B Si20 Si2 110.5(2) . . ?
C20A Si20 Si2 110.0(2) . . ?
C20C Si20 Si2 109.6(2) . . ?
C21C Si21 C21B 108.1(3) . . ?
C21C Si21 C21A 108.3(3) . . ?
C21B Si21 C21A 108.9(3) . . ?
C21C Si21 Si2 107.3(2) . . ?
C21B Si21 Si2 115.4(2) . . ?
C21A Si21 Si2 108.6(2) . . ?
C210 Si22 C200 112.8(2) . . ?
C210 Si22 C220 105.1(3) . . ?
C200 Si22 C220 106.7(2) . . ?
C210 Si22 Si2 112.13(18) . . ?
C200 Si22 Si2 111.8(2) . . ?
C220 Si22 Si2 107.77(19) . . ?
C30C Si30 C30B 109.5(3) . . ?
C30C Si30 C30A 109.8(3) . . ?
C30B Si30 C30A 108.4(3) . . ?
C30C Si30 Si3 107.9(2) . . ?
C30B Si30 Si3 112.8(2) . . ?
C30A Si30 Si3 108.5(2) . . ?
C31C Si31 C31B 108.8(3) . . ?
C31C Si31 C31A 108.8(3) . . ?
C31B Si31 C31A 106.3(3) . . ?
C31C Si31 Si3 111.4(2) . . ?
C31B Si31 Si3 111.5(2) . . ?
C31A Si31 Si3 109.9(2) . . ?
C320 Si32 C310 105.4(3) . . ?
C320 Si32 C300 107.6(3) . . ?
C310 Si32 C300 110.0(3) . . ?
C320 Si32 Si3 108.12(18) . . ?
C310 Si32 Si3 114.53(18) . . ?
C300 Si32 Si3 110.82(18) . . ?
C40C Si40 C40A 110.1(3) . . ?
C40C Si40 C40B 107.2(3) . . ?
C40A Si40 C40B 109.0(3) . . ?
C40C Si40 Si4 109.0(2) . . ?
C40A Si40 Si4 107.6(2) . . ?
C40B Si40 Si4 114.0(2) . . ?
C41A Si41 C41C 108.6(3) . . ?
C41A Si41 C41B 108.4(3) . . ?
C41C Si41 C41B 108.9(3) . . ?
C41A Si41 Si4 109.2(2) . . ?
C41C Si41 Si4 112.9(2) . . ?
C41B Si41 Si4 108.9(2) . . ?
C410 Si42 C400 112.9(2) . . ?
C410 Si42 C420 104.5(2) . . ?
C400 Si42 C420 106.9(3) . . ?
C410 Si42 Si4 113.9(2) . . ?
C400 Si42 Si4 111.72(19) . . ?
C420 Si42 Si4 106.08(19) . . ?
C101 C100 C105 117.0(5) . . ?
C101 C100 Si12 119.9(4) . . ?
C105 C100 Si12 123.0(4) . . ?
C102 C101 C100 121.7(6) . . ?
C101 C102 C103 120.0(6) . . ?
C104 C103 C102 119.4(6) . . ?
C103 C104 C105 120.4(6) . . ?
C104 C105 C100 121.5(6) . . ?
C115 C110 C111 117.2(5) . . ?
C115 C110 Si12 120.4(4) . . ?
C111 C110 Si12 122.4(5) . . ?
C112 C111 C110 121.7(6) . . ?
C113 C112 C111 119.8(6) . . ?
C112 C113 C114 120.3(6) . . ?
C113 C114 C115 119.5(6) . . ?
C110 C115 C114 121.4(5) . . ?
C121 C120 C125 116.2(5) . . ?
C121 C120 Si12 121.9(4) . . ?
C125 C120 Si12 121.7(4) . . ?
C122 C121 C120 122.1(6) . . ?
C121 C122 C123 119.8(6) . . ?
C122 C123 C124 119.4(6) . . ?
C125 C124 C123 119.6(6) . . ?
C124 C125 C120 122.7(6) . . ?
C205 C200 C201 117.4(5) . . ?
C205 C200 Si22 120.6(5) . . ?
C201 C200 Si22 122.0(4) . . ?
C202 C201 C200 121.2(6) . . ?
C203 C202 C201 120.4(6) . . ?
C204 C203 C202 119.1(6) . . ?
C203 C204 C205 121.5(6) . . ?
C200 C205 C204 120.5(6) . . ?
C215 C210 C211 116.9(5) . . ?
C215 C210 Si22 120.6(4) . . ?
C211 C210 Si22 122.5(4) . . ?
C212 C211 C210 121.5(6) . . ?
C213 C212 C211 120.4(6) . . ?
C212 C213 C214 119.8(6) . . ?
C215 C214 C213 120.1(6) . . ?
C214 C215 C210 121.3(6) . . ?
C225 C220 C221 116.7(5) . . ?
C225 C220 Si22 120.5(4) . . ?
C221 C220 Si22 122.7(4) . . ?
C222 C221 C220 121.1(6) . . ?
C223 C222 C221 120.8(6) . . ?
C224 C223 C222 119.3(6) . . ?
C223 C224 C225 120.1(6) . . ?
C224 C225 C220 121.9(6) . . ?
C301 C300 C305 118.0(5) . . ?
C301 C300 Si32 121.5(4) . . ?
C305 C300 Si32 120.4(4) . . ?
C300 C301 C302 121.0(6) . . ?
C303 C302 C301 119.7(6) . . ?
C304 C303 C302 120.4(6) . . ?
C303 C304 C305 119.9(6) . . ?
C304 C305 C300 120.9(6) . . ?
C311 C310 C315 118.0(5) . . ?
C311 C310 Si32 124.1(4) . . ?
C315 C310 Si32 117.8(4) . . ?
C310 C311 C312 119.5(5) . . ?
C313 C312 C311 121.4(6) . . ?
C312 C313 C314 119.3(6) . . ?
C315 C314 C313 120.3(6) . . ?
C314 C315 C310 121.4(6) . . ?
C321 C320 C325 116.0(5) . . ?
C321 C320 Si32 122.8(4) . . ?
C325 C320 Si32 121.2(4) . . ?
C322 C321 C320 122.3(6) . . ?
C323 C322 C321 120.5(6) . . ?
C322 C323 C324 119.2(6) . . ?
C325 C324 C323 120.5(6) . . ?
C324 C325 C320 121.6(6) . . ?
C401 C400 C405 117.2(6) . . ?
C401 C400 Si42 120.7(4) . . ?
C405 C400 Si42 122.1(5) . . ?
C402 C401 C400 121.9(6) . . ?
C401 C402 C403 119.3(7) . . ?
C404 C403 C402 120.3(6) . . ?
C403 C404 C405 119.9(6) . . ?
C404 C405 C400 121.3(6) . . ?
C411 C410 C415 116.9(5) . . ?
C411 C410 Si42 119.6(5) . . ?
C415 C410 Si42 123.3(5) . . ?
C412 C411 C410 122.0(6) . . ?
C411 C412 C413 119.7(7) . . ?
C414 C413 C412 119.7(6) . . ?
C413 C414 C415 120.9(7) . . ?
C414 C415 C410 120.9(6) . . ?
C421 C420 C425 117.0(5) . . ?
C421 C420 Si42 122.1(4) . . ?
C425 C420 Si42 121.0(5) . . ?
C422 C421 C420 121.4(6) . . ?
C423 C422 C421 120.3(6) . . ?
C424 C423 C422 119.9(6) . . ?
C423 C424 C425 119.1(6) . . ?
C424 C425 C420 122.3(6) . . ?
C505 C500 C501 117.5(8) . . ?
C505 C500 C506 122.9(8) . . ?
C501 C500 C506 119.6(8) . . ?
C502 C501 C500 121.4(8) . . ?
C501 C502 C503 121.0(8) . . ?
C504 C503 C502 118.0(8) . . ?
C503 C504 C505 120.3(8) . . ?
C500 C505 C504 121.8(7) . . ?
C511 C510 C515 117.8(8) . . ?
C511 C510 C516 121.5(10) . . ?
C515 C510 C516 120.8(10) . . ?
C510 C511 C512 121.3(9) . . ?
C513 C512 C511 120.0(9) . . ?
C512 C513 C514 120.1(8) . . ?
C515 C514 C513 120.0(9) . . ?
C514 C515 C510 120.7(8) . . ?
C521 C520 C525 117.1(8) . . ?
C521 C520 C526 118.2(11) . . ?
C525 C520 C526 124.6(11) . . ?
C522 C521 C520 121.6(9) . . ?
C521 C522 C523 121.5(10) . . ?
C522 C523 C524 119.2(9) . . ?
C525 C524 C523 120.7(8) . . ?
C524 C525 C520 119.8(9) . . ?
C540 C531 C532 49.6(13) . . ?
C540 C531 C530 74.9(12) . . ?
C532 C531 C530 124.4(15) . . ?
C540 C531 C541 43.6(7) . . ?
C532 C531 C541 10.7(10) . . ?
C530 C531 C541 116.7(11) . . ?
C535 C530 C531 110.2(15) . . ?
C535 C530 C536 126.6(15) . . ?
C531 C530 C536 123.2(15) . . ?
C531 C532 C533 124.4(18) . . ?
C534 C533 C532 113.3(19) . . ?
C533 C534 C535 120.3(19) . . ?
C530 C535 C534 126.8(18) . . ?
C531 C540 C541 95.9(12) . . ?
C531 C540 C545 143.6(13) . . ?
C541 C540 C545 120.0 . . ?
C540 C541 C542 120.0 . . ?
C540 C541 C531 40.5(7) . . ?
C542 C541 C531 159.9(9) . . ?
C541 C542 C543 120.0 . . ?
C544 C543 C542 120.0 . . ?
C543 C544 C545 120.0 . . ?
C544 C545 C540 120.0 . . ?
C601 C600 C602 116.6(7) . 2_575 ?
C600 C601 C602 126.6(6) . . ?
C601 C602 C600 116.4(8) . 2_575 ?
C601 C602 C603 124.6(11) . . ?
C600 C602 C603 118.9(12) 2_575 . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.42
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         3.157
_refine_diff_density_min         -1.053
_refine_diff_density_rms         0.121
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_database_code_depnum_ccdc_archive 'CCDC 1014871'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_rk5tri_3KC

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H33 Si4, C12 H24 K O6'
_chemical_formula_sum            'C36 H57 K O6 Si4'
_chemical_formula_weight         737.28

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'
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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7102(2)
_cell_length_b                   17.9702(4)
_cell_length_c                   20.3053(4)
_cell_angle_alpha                96.4520(10)
_cell_angle_beta                 98.1770(10)
_cell_angle_gamma                96.2970(10)
_cell_volume                     4168.26(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9936
_cell_measurement_theta_min      2.174
_cell_measurement_theta_max      28.536

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.175
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1584
_exptl_absorpt_coefficient_mu    0.282
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8633
_exptl_absorpt_correction_T_max  0.9450
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker AXS Inc., 2005)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            94482
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.63
_diffrn_reflns_theta_max         30.52
_reflns_number_total             25318
_reflns_number_gt                16740
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v.2014.1-1 (Bruker AXS Inc., 2014)'
_computing_cell_refinement       'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'SHELXTL 5.1 (Bruker AXS Inc., 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0398P)²+1.2552P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         25318
_refine_ls_number_parameters     847
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.1120
_refine_ls_wR_factor_gt          0.0964
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.019
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
K1 K 1.17793(4) 0.10541(2) 0.28510(2) 0.03186(9) Uani 1 1 d . . .
K2 K 1.68220(3) 0.43173(2) -0.21505(2) 0.03139(9) Uani 1 1 d . . .
Si1 Si 1.04970(4) 0.26265(3) 0.35124(2) 0.02077(10) Uani 1 1 d . . .
Si11 Si 0.92119(4) 0.26353(3) 0.42981(2) 0.01993(10) Uani 1 1 d . . .
Si12 Si 0.94614(5) 0.29607(3) 0.25367(3) 0.03582(13) Uani 1 1 d . . .
Si13 Si 1.18869(4) 0.36807(3) 0.38895(2) 0.02453(10) Uani 1 1 d . . .
Si2 Si 1.56057(4) 0.28854(3) -0.12481(2) 0.02034(10) Uani 1 1 d . . .
Si21 Si 1.59639(4) 0.16390(3) -0.15032(2) 0.01997(9) Uani 1 1 d . . .
Si22 Si 1.36150(4) 0.27923(3) -0.11912(2) 0.02633(11) Uani 1 1 d . . .
Si23 Si 1.64562(4) 0.32486(3) -0.01281(2) 0.02669(11) Uani 1 1 d . . .
O1 O 1.01721(11) -0.00356(8) 0.32209(6) 0.0330(3) Uani 1 1 d . . .
O4 O 1.20620(11) 0.06079(7) 0.41884(6) 0.0295(3) Uani 1 1 d . . .
O7 O 1.38553(11) 0.14877(8) 0.37637(8) 0.0419(4) Uani 1 1 d . . .
O10 O 1.39228(14) 0.13615(9) 0.23789(8) 0.0523(4) Uani 1 1 d . . .
O13 O 1.19097(16) 0.10017(9) 0.14422(8) 0.0524(4) Uani 1 1 d . . .
O16 O 1.02780(13) -0.00328(9) 0.18804(7) 0.0421(4) Uani 1 1 d . . .
O21 O 1.54431(14) 0.54512(9) -0.18316(7) 0.0455(4) Uani 1 1 d . . .
O24 O 1.48470(11) 0.45369(8) -0.30757(7) 0.0372(3) Uani 1 1 d . . .
O27 O 1.63309(11) 0.34916(8) -0.34275(6) 0.0344(3) Uani 1 1 d D . .
O30 O 1.85862(11) 0.36027(8) -0.27323(7) 0.0364(3) Uani 1 1 d D . .
O33 O 1.90794(12) 0.44803(9) -0.14579(7) 0.0434(4) Uani 1 1 d . . .
O36 O 1.77919(13) 0.56553(9) -0.12494(7) 0.0444(4) Uani 1 1 d . . .
C2 C 1.03108(17) -0.02243(12) 0.38845(10) 0.0364(5) Uani 1 1 d . . .
H2A H 1.0778 -0.0649 0.3917 0.044 Uiso 1 1 calc R . .
H2B H 0.9542 -0.0378 0.4011 0.044 Uiso 1 1 calc R . .
C3 C 1.09173(16) 0.04595(12) 0.43409(9) 0.0343(4) Uani 1 1 d . . .
H3A H 1.0490 0.0898 0.4274 0.041 Uiso 1 1 calc R . .
H3B H 1.0950 0.0369 0.4815 0.041 Uiso 1 1 calc R . .
C5 C 1.27209(18) 0.12455(12) 0.46027(10) 0.0379(5) Uani 1 1 d . . .
H5A H 1.2744 0.1180 0.5082 0.045 Uiso 1 1 calc R . .
H5B H 1.2366 0.1709 0.4522 0.045 Uiso 1 1 calc R . .
C6 C 1.39167(18) 0.13067(13) 0.44289(11) 0.0446(5) Uani 1 1 d . . .
H6A H 1.4433 0.1706 0.4744 0.053 Uiso 1 1 calc R . .
H6B H 1.4237 0.0822 0.4462 0.053 Uiso 1 1 calc R . .
C8 C 1.48794(18) 0.13741(15) 0.34848(14) 0.0555(7) Uani 1 1 d . . .
H8A H 1.4913 0.0827 0.3372 0.067 Uiso 1 1 calc R . .
H8B H 1.5577 0.1591 0.3813 0.067 Uiso 1 1 calc R . .
C9 C 1.4851(2) 0.17502(15) 0.28713(15) 0.0648(8) Uani 1 1 d . . .
H9A H 1.4727 0.2284 0.2974 0.078 Uiso 1 1 calc R . .
H9B H 1.5599 0.1738 0.2700 0.078 Uiso 1 1 calc R . .
C11A C 1.00097(13) 0.28591(10) 0.51943(8) 0.0220(3) Uani 1 1 d . . .
C11M C 0.83908(13) 0.16453(10) 0.42366(8) 0.0215(3) Uani 1 1 d . . .
C11C C 1.06903(16) 0.37410(11) 0.62148(9) 0.0315(4) Uani 1 1 d . . .
H11A H 1.0707 0.4227 0.6457 0.038 Uiso 1 1 calc R . .
C11R C 0.79618(15) 0.13485(10) 0.47743(9) 0.0265(4) Uani 1 1 d . . .
H11B H 0.8104 0.1643 0.5203 0.032 Uiso 1 1 calc R . .
C11F C 1.06223(15) 0.23302(11) 0.55046(9) 0.0287(4) Uani 1 1 d . . .
H11C H 1.0602 0.1840 0.5269 0.034 Uiso 1 1 calc R . .
C11O C 0.75022(15) 0.04742(11) 0.35350(9) 0.0287(4) Uani 1 1 d . . .
H11D H 0.7340 0.0181 0.3106 0.034 Uiso 1 1 calc R . .
C11N C 0.81524(14) 0.11818(10) 0.36186(8) 0.0249(4) Uani 1 1 d . . .
H11E H 0.8446 0.1358 0.3243 0.030 Uiso 1 1 calc R . .
C11B C 1.00605(14) 0.35671(10) 0.55709(9) 0.0263(4) Uani 1 1 d . . .
H11F H 0.9653 0.3940 0.5381 0.032 Uiso 1 1 calc R . .
C11D C 1.12895(16) 0.32101(12) 0.65016(9) 0.0345(4) Uani 1 1 d . . .
H11G H 1.1723 0.3329 0.6941 0.041 Uiso 1 1 calc R . .
C11L C 0.82610(15) 0.40387(11) 0.41753(10) 0.0327(4) Uani 1 1 d . . .
H11H H 0.9022 0.4230 0.4114 0.039 Uiso 1 1 calc R . .
C11J C 0.62894(17) 0.42541(12) 0.42372(10) 0.0369(5) Uani 1 1 d . . .
H11I H 0.5702 0.4580 0.4222 0.044 Uiso 1 1 calc R . .
C11I C 0.60310(16) 0.35103(12) 0.43204(11) 0.0375(5) Uani 1 1 d . . .
H11J H 0.5260 0.3319 0.4364 0.045 Uiso 1 1 calc R . .
C11Q C 0.73328(16) 0.06335(11) 0.46973(10) 0.0313(4) Uani 1 1 d . . .
H11K H 0.7067 0.0443 0.5074 0.038 Uiso 1 1 calc R . .
C11K C 0.74142(17) 0.45222(12) 0.41751(11) 0.0378(5) Uani 1 1 d . . .
H11L H 0.7610 0.5040 0.4132 0.045 Uiso 1 1 calc R . .
C11H C 0.68925(15) 0.30349(11) 0.43408(10) 0.0307(4) Uani 1 1 d . . .
H11M H 0.6700 0.2525 0.4411 0.037 Uiso 1 1 calc R . .
C11P C 0.70913(15) 0.01973(11) 0.40759(10) 0.0308(4) Uani 1 1 d . . .
H11N H 0.6648 -0.0287 0.4022 0.037 Uiso 1 1 calc R . .
C11G C 0.80305(13) 0.32821(10) 0.42617(8) 0.0225(3) Uani 1 1 d . . .
C11E C 1.12571(16) 0.25020(12) 0.61465(9) 0.0343(4) Uani 1 1 d . . .
H11O H 1.1669 0.2134 0.6342 0.041 Uiso 1 1 calc R . .
C11 C 1.3806(3) 0.16721(17) 0.17627(16) 0.0730(9) Uani 1 1 d . . .
H11P H 1.4578 0.1775 0.1622 0.088 Uiso 1 1 calc R . .
H11Q H 1.3471 0.2154 0.1817 0.088 Uiso 1 1 calc R . .
C12 C 1.3026(3) 0.11183(17) 0.12461(13) 0.0671(8) Uani 1 1 d . . .
H12A H 1.2960 0.1312 0.0807 0.081 Uiso 1 1 calc R . .
H12B H 1.3355 0.0634 0.1200 0.081 Uiso 1 1 calc R . .
C12C C 0.9077(2) 0.39491(16) 0.25178(13) 0.0613(7) Uani 1 1 d . . .
H12C H 0.8648 0.3991 0.2075 0.092 Uiso 1 1 calc R . .
H12D H 0.9791 0.4308 0.2606 0.092 Uiso 1 1 calc R . .
H12E H 0.8592 0.4063 0.2862 0.092 Uiso 1 1 calc R . .
C12B C 1.0309(3) 0.28069(15) 0.18185(11) 0.0621(7) Uani 1 1 d . . .
H12F H 0.9876 0.2947 0.1411 0.093 Uiso 1 1 calc R . .
H12G H 1.0424 0.2274 0.1744 0.093 Uiso 1 1 calc R . .
H12H H 1.1067 0.3120 0.1928 0.093 Uiso 1 1 calc R . .
C12A C 0.8042(3) 0.2330(2) 0.22672(18) 0.132(2) Uani 1 1 d . . .
H12I H 0.7629 0.2482 0.1860 0.197 Uiso 1 1 calc R . .
H12J H 0.7565 0.2372 0.2625 0.197 Uiso 1 1 calc R . .
H12K H 0.8194 0.1805 0.2176 0.197 Uiso 1 1 calc R . .
C13C C 1.28595(15) 0.35205(12) 0.46699(10) 0.0337(4) Uani 1 1 d . . .
H13A H 1.3437 0.3966 0.4822 0.051 Uiso 1 1 calc R . .
H13B H 1.3258 0.3079 0.4570 0.051 Uiso 1 1 calc R . .
H13C H 1.2389 0.3433 0.5023 0.051 Uiso 1 1 calc R . .
C13B C 1.14509(18) 0.46496(11) 0.41008(12) 0.0422(5) Uani 1 1 d . . .
H13D H 1.2150 0.5015 0.4249 0.063 Uiso 1 1 calc R . .
H13E H 1.0975 0.4640 0.4460 0.063 Uiso 1 1 calc R . .
H13F H 1.1001 0.4797 0.3702 0.063 Uiso 1 1 calc R . .
C13A C 1.28558(19) 0.37919(14) 0.32298(11) 0.0463(6) Uani 1 1 d . . .
H13G H 1.3446 0.4232 0.3379 0.069 Uiso 1 1 calc R . .
H13H H 1.2386 0.3864 0.2808 0.069 Uiso 1 1 calc R . .
H13I H 1.3239 0.3338 0.3160 0.069 Uiso 1 1 calc R . .
C14 C 1.1160(3) 0.04155(15) 0.10046(11) 0.0588(7) Uani 1 1 d . . .
H14A H 1.1537 -0.0051 0.0974 0.071 Uiso 1 1 calc R . .
H14B H 1.1008 0.0566 0.0549 0.071 Uiso 1 1 calc R . .
C15 C 1.0042(2) 0.02720(15) 0.12673(11) 0.0533(6) Uani 1 1 d . . .
H15A H 0.9702 0.0749 0.1343 0.064 Uiso 1 1 calc R . .
H15B H 0.9480 -0.0088 0.0940 0.064 Uiso 1 1 calc R . .
C17 C 0.9242(2) -0.03165(14) 0.21027(11) 0.0490(6) Uani 1 1 d . . .
H17A H 0.8786 -0.0713 0.1758 0.059 Uiso 1 1 calc R . .
H17B H 0.8760 0.0095 0.2180 0.059 Uiso 1 1 calc R . .
C18 C 0.9564(2) -0.06384(13) 0.27413(11) 0.0449(5) Uani 1 1 d . . .
H18A H 0.8857 -0.0859 0.2900 0.054 Uiso 1 1 calc R . .
H18B H 1.0066 -0.1040 0.2670 0.054 Uiso 1 1 calc R . .
C21A C 1.49412(13) 0.08173(9) -0.13185(8) 0.0214(3) Uani 1 1 d . . .
C21C C 1.38382(17) 0.02007(12) -0.05562(10) 0.0364(5) Uani 1 1 d . . .
H21A H 1.3612 0.0207 -0.0125 0.044 Uiso 1 1 calc R . .
C21M C 1.74738(14) 0.15344(10) -0.10657(9) 0.0239(3) Uani 1 1 d . . .
C21B C 1.45715(16) 0.08016(11) -0.06948(9) 0.0314(4) Uani 1 1 d . . .
H21B H 1.4832 0.1217 -0.0355 0.038 Uiso 1 1 calc R . .
C21F C 1.45118(16) 0.01950(11) -0.18006(9) 0.0298(4) Uani 1 1 d . . .
H21C H 1.4734 0.0184 -0.2233 0.036 Uiso 1 1 calc R . .
C21L C 1.66170(16) 0.09141(11) -0.27320(9) 0.0301(4) Uani 1 1 d . . .
H21D H 1.7110 0.0655 -0.2450 0.036 Uiso 1 1 calc R . .
C21G C 1.59697(14) 0.14373(10) -0.24412(8) 0.0233(3) Uani 1 1 d . . .
C21I C 1.51695(17) 0.16387(11) -0.35711(9) 0.0323(4) Uani 1 1 d . . .
H21E H 1.4663 0.1885 -0.3857 0.039 Uiso 1 1 calc R . .
C21H C 1.52546(15) 0.17963(10) -0.28784(8) 0.0263(4) Uani 1 1 d . . .
H21F H 1.4812 0.2159 -0.2698 0.032 Uiso 1 1 calc R . .
C21E C 1.37714(17) -0.04061(11) -0.16663(10) 0.0364(5) Uani 1 1 d . . .
H21G H 1.3494 -0.0820 -0.2006 0.044 Uiso 1 1 calc R . .
C21D C 1.34336(16) -0.04082(11) -0.10419(10) 0.0338(4) Uani 1 1 d . . .
H21H H 1.2931 -0.0822 -0.0948 0.041 Uiso 1 1 calc R . .
C21R C 1.76491(15) 0.13437(10) -0.04136(9) 0.0291(4) Uani 1 1 d . . .
H21I H 1.6994 0.1178 -0.0216 0.035 Uiso 1 1 calc R . .
C21N C 1.84703(15) 0.17443(11) -0.13425(10) 0.0304(4) Uani 1 1 d . . .
H21J H 1.8385 0.1860 -0.1791 0.037 Uiso 1 1 calc R . .
C21O C 1.95770(16) 0.17879(12) -0.09818(11) 0.0391(5) Uani 1 1 d . . .
H21K H 2.0236 0.1933 -0.1184 0.047 Uiso 1 1 calc R . .
C21J C 1.58225(18) 0.11236(12) -0.38419(10) 0.0374(5) Uani 1 1 d . . .
H21L H 1.5769 0.1016 -0.4315 0.045 Uiso 1 1 calc R . .
C21K C 1.65530(18) 0.07655(12) -0.34250(10) 0.0385(5) Uani 1 1 d . . .
H21M H 1.7013 0.0417 -0.3611 0.046 Uiso 1 1 calc R . .
C21P C 1.97291(17) 0.16217(12) -0.03307(12) 0.0418(5) Uani 1 1 d . . .
H21N H 2.0488 0.1664 -0.0080 0.050 Uiso 1 1 calc R . .
C21Q C 1.87604(17) 0.13913(12) -0.00461(11) 0.0378(5) Uani 1 1 d . . .
H21O H 1.8855 0.1266 0.0399 0.045 Uiso 1 1 calc R . .
C22A C 1.29879(17) 0.23342(13) -0.05029(10) 0.0413(5) Uani 1 1 d . . .
H22A H 1.2145 0.2347 -0.0562 0.062 Uiso 1 1 calc R . .
H22B H 1.3346 0.2610 -0.0065 0.062 Uiso 1 1 calc R . .
H22C H 1.3148 0.1809 -0.0525 0.062 Uiso 1 1 calc R . .
C22C C 1.27370(16) 0.22692(14) -0.19946(10) 0.0446(6) Uani 1 1 d . . .
H22D H 1.1907 0.2236 -0.1961 0.067 Uiso 1 1 calc R . .
H22E H 1.2958 0.1759 -0.2068 0.067 Uiso 1 1 calc R . .
H22F H 1.2891 0.2541 -0.2372 0.067 Uiso 1 1 calc R . .
C22B C 1.3158(2) 0.37711(13) -0.11031(13) 0.0496(6) Uani 1 1 d . . .
H22G H 1.2324 0.3734 -0.1079 0.074 Uiso 1 1 calc R . .
H22H H 1.3316 0.4020 -0.1492 0.074 Uiso 1 1 calc R . .
H22I H 1.3597 0.4067 -0.0693 0.074 Uiso 1 1 calc R . .
C22 C 1.4442(2) 0.55124(16) -0.23024(13) 0.0569(7) Uani 1 1 d . . .
H22J H 1.4648 0.5869 -0.2617 0.068 Uiso 1 1 calc R . .
H22K H 1.3832 0.5706 -0.2064 0.068 Uiso 1 1 calc R . .
C23B C 1.61171(19) 0.26563(12) 0.05543(9) 0.0380(5) Uani 1 1 d . . .
H23A H 1.6552 0.2898 0.0988 0.057 Uiso 1 1 calc R . .
H23B H 1.6343 0.2152 0.0453 0.057 Uiso 1 1 calc R . .
H23C H 1.5282 0.2614 0.0574 0.057 Uiso 1 1 calc R . .
C23A C 1.6019(2) 0.42003(12) 0.01484(11) 0.0438(5) Uani 1 1 d . . .
H23D H 1.6364 0.4367 0.0618 0.066 Uiso 1 1 calc R . .
H23E H 1.5170 0.4161 0.0105 0.066 Uiso 1 1 calc R . .
H23F H 1.6297 0.4567 -0.0134 0.066 Uiso 1 1 calc R . .
C23C C 1.80942(17) 0.34061(12) -0.00403(11) 0.0422(5) Uani 1 1 d . . .
H23G H 1.8426 0.3557 0.0433 0.063 Uiso 1 1 calc R . .
H23H H 1.8329 0.3805 -0.0304 0.063 Uiso 1 1 calc R . .
H23I H 1.8378 0.2938 -0.0205 0.063 Uiso 1 1 calc R . .
C23 C 1.40052(19) 0.47547(16) -0.26775(12) 0.0529(6) Uani 1 1 d . . .
H23J H 1.3878 0.4385 -0.2360 0.064 Uiso 1 1 calc R . .
H23K H 1.3256 0.4771 -0.2968 0.064 Uiso 1 1 calc R . .
C25 C 1.44527(17) 0.38554(13) -0.35144(11) 0.0420(5) Uani 1 1 d D . .
H25A H 1.3755 0.3919 -0.3830 0.050 Uiso 1 1 calc R . .
H25B H 1.4244 0.3442 -0.3253 0.050 Uiso 1 1 calc R . .
C26 C 1.54070(18) 0.36706(13) -0.38910(10) 0.0411(5) Uani 1 1 d D . .
H26A H 1.5127 0.3235 -0.4242 0.049 Uiso 1 1 calc R . .
H26B H 1.5678 0.4108 -0.4110 0.049 Uiso 1 1 calc R . .
C28 C 1.72510(18) 0.32283(12) -0.37377(10) 0.0395(5) Uani 1 1 d D . .
H28A H 1.7650 0.3640 -0.3939 0.047 Uiso 1 1 calc R . .
H28B H 1.6940 0.2806 -0.4097 0.047 Uiso 1 1 calc R . .
C29 C 1.80805(18) 0.29684(12) -0.32127(12) 0.0414(5) Uani 1 1 d D . .
H29A H 1.7666 0.2583 -0.2989 0.050 Uiso 1 1 calc R . .
H29B H 1.8697 0.2739 -0.3420 0.050 Uiso 1 1 calc R . .
C32 C 1.99177(19) 0.40899(15) -0.17431(13) 0.0555(7) Uani 1 1 d D . .
H32A H 2.0488 0.3951 -0.1383 0.067 Uiso 1 1 calc R . .
H32B H 2.0342 0.4417 -0.2013 0.067 Uiso 1 1 calc R . .
C34 C 1.9593(2) 0.51659(15) -0.10609(12) 0.0528(6) Uani 1 1 d . . .
H34A H 1.9944 0.5512 -0.1345 0.063 Uiso 1 1 calc R . .
H34B H 2.0215 0.5066 -0.0711 0.063 Uiso 1 1 calc R . .
C35 C 1.8682(2) 0.55217(15) -0.07415(11) 0.0561(7) Uani 1 1 d . . .
H35A H 1.8351 0.5184 -0.0445 0.067 Uiso 1 1 calc R . .
H35B H 1.9030 0.6004 -0.0466 0.067 Uiso 1 1 calc R . .
C37 C 1.6959(2) 0.60656(15) -0.09762(12) 0.0581(7) Uani 1 1 d . . .
H37A H 1.7341 0.6564 -0.0746 0.070 Uiso 1 1 calc R . .
H37B H 1.6615 0.5787 -0.0643 0.070 Uiso 1 1 calc R . .
C38 C 1.6024(2) 0.61683(14) -0.15305(12) 0.0551(7) Uani 1 1 d . . .
H38A H 1.5463 0.6478 -0.1349 0.066 Uiso 1 1 calc R . .
H38B H 1.6370 0.6434 -0.1870 0.066 Uiso 1 1 calc R . .
C31 C 1.9302(2) 0.33923(14) -0.21795(13) 0.0519(6) Uani 1 1 d D . .
H31A H 1.9878 0.3081 -0.2341 0.062 Uiso 1 1 calc R . .
H31B H 1.8821 0.3088 -0.1918 0.062 Uiso 1 1 calc R . .


_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
K1 O1 2.8044(14) . ?
K1 O7 2.8160(15) . ?
K1 O10 2.8326(15) . ?
K1 O16 2.8611(15) . ?
K1 O13 2.8778(15) . ?
K1 O4 2.9014(13) . ?
K1 C5 3.537(2) . ?
K1 Si1 3.5630(6) . ?
K2 O33 2.7806(14) . ?
K2 O27 2.7892(13) . ?
K2 O21 2.8108(15) . ?
K2 O24 2.8575(14) . ?
K2 O36 2.8706(15) . ?
K2 O30 2.8719(13) . ?
K2 C31 3.505(2) . ?
K2 C23 3.521(2) . ?
K2 Si2 3.6063(6) . ?
Si1 Si13 2.3382(7) . ?
Si1 Si11 2.3435(6) . ?
Si1 Si12 2.3452(7) . ?
Si11 C11G 1.9009(16) . ?
Si11 C11A 1.9015(17) . ?
Si11 C11M 1.9094(18) . ?
Si12 C12A 1.880(3) . ?
Si12 C12C 1.883(3) . ?
Si12 C12B 1.889(3) . ?
Si13 C13C 1.8847(19) . ?
Si13 C13A 1.888(2) . ?
Si13 C13B 1.888(2) . ?
Si2 Si21 2.3383(6) . ?
Si2 Si23 2.3386(6) . ?
Si2 Si22 2.3390(6) . ?
Si21 C21G 1.8996(17) . ?
Si21 C21M 1.9012(17) . ?
Si21 C21A 1.9025(17) . ?
Si22 C22C 1.8890(19) . ?
Si22 C22B 1.891(2) . ?
Si22 C22A 1.894(2) . ?
Si23 C23A 1.887(2) . ?
Si23 C23C 1.888(2) . ?
Si23 C23B 1.899(2) . ?
O1 C2 1.418(2) . ?
O1 C18 1.423(2) . ?
O4 C5 1.422(2) . ?
O4 C3 1.422(2) . ?
O7 C6 1.418(3) . ?
O7 C8 1.422(2) . ?
O10 C11 1.422(3) . ?
O10 C9 1.427(3) . ?
O13 C12 1.421(3) . ?
O13 C14 1.427(3) . ?
O16 C17 1.417(3) . ?
O16 C15 1.419(3) . ?
O21 C38 1.418(3) . ?
O21 C22 1.426(3) . ?
O24 C23 1.421(2) . ?
O24 C25 1.421(3) . ?
O27 C26 1.419(2) . ?
O27 C28 1.421(2) . ?
O30 C31 1.415(3) . ?
O30 C29 1.428(2) . ?
O33 C34 1.416(3) . ?
O33 C32 1.419(3) . ?
O36 C35 1.419(3) . ?
O36 C37 1.422(3) . ?
C2 C3 1.496(3) . ?
C5 C6 1.488(3) . ?
C8 C9 1.481(4) . ?
C11A C11B 1.400(2) . ?
C11A C11F 1.404(2) . ?
C11M C11R 1.399(2) . ?
C11M C11N 1.400(2) . ?
C11C C11D 1.377(3) . ?
C11C C11B 1.391(2) . ?
C11R C11Q 1.390(3) . ?
C11F C11E 1.389(3) . ?
C11O C11P 1.381(3) . ?
C11O C11N 1.388(2) . ?
C11D C11E 1.384(3) . ?
C11L C11K 1.388(3) . ?
C11L C11G 1.392(3) . ?
C11J C11I 1.372(3) . ?
C11J C11K 1.380(3) . ?
C11I C11H 1.391(3) . ?
C11Q C11P 1.383(3) . ?
C11H C11G 1.395(2) . ?
C11 C12 1.489(4) . ?
C14 C15 1.490(4) . ?
C17 C18 1.495(3) . ?
C21A C21F 1.397(2) . ?
C21A C21B 1.398(2) . ?
C21C C21D 1.380(3) . ?
C21C C21B 1.384(3) . ?
C21M C21R 1.397(2) . ?
C21M C21N 1.399(2) . ?
C21F C21E 1.386(3) . ?
C21L C21K 1.392(3) . ?
C21L C21G 1.402(2) . ?
C21G C21H 1.393(2) . ?
C21I C21J 1.380(3) . ?
C21I C21H 1.390(2) . ?
C21E C21D 1.381(3) . ?
C21R C21Q 1.394(3) . ?
C21N C21O 1.384(3) . ?
C21O C21P 1.379(3) . ?
C21J C21K 1.378(3) . ?
C21P C21Q 1.389(3) . ?
C22 C23 1.483(4) . ?
C25 C26 1.487(3) . ?
C28 C29 1.488(3) . ?
C32 C31 1.499(3) . ?
C34 C35 1.490(4) . ?
C37 C38 1.496(4) . ?

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
O1 K1 O7 115.89(4) . . ?
O1 K1 O10 146.90(5) . . ?
O7 K1 O10 59.63(5) . . ?
O1 K1 O16 57.90(4) . . ?
O7 K1 O16 151.09(4) . . ?
O10 K1 O16 108.58(5) . . ?
O1 K1 O13 116.82(5) . . ?
O7 K1 O13 117.74(5) . . ?
O10 K1 O13 58.17(5) . . ?
O16 K1 O13 58.95(5) . . ?
O1 K1 O4 58.52(4) . . ?
O7 K1 O4 58.24(4) . . ?
O10 K1 O4 112.87(5) . . ?
O16 K1 O4 113.13(4) . . ?
O13 K1 O4 158.68(4) . . ?
O1 K1 C5 79.44(4) . . ?
O7 K1 C5 41.58(5) . . ?
O10 K1 C5 101.03(5) . . ?
O16 K1 C5 135.86(5) . . ?
O13 K1 C5 159.16(5) . . ?
O4 K1 C5 22.89(4) . . ?
O1 K1 Si1 94.94(3) . . ?
O7 K1 Si1 92.05(3) . . ?
O10 K1 Si1 117.41(4) . . ?
O16 K1 Si1 115.99(3) . . ?
O13 K1 Si1 113.67(3) . . ?
O4 K1 Si1 87.64(3) . . ?
C5 K1 Si1 75.40(3) . . ?
O33 K2 O27 118.85(4) . . ?
O33 K2 O21 117.13(5) . . ?
O27 K2 O21 118.56(4) . . ?
O33 K2 O24 160.98(5) . . ?
O27 K2 O24 59.38(4) . . ?
O21 K2 O24 59.37(4) . . ?
O33 K2 O36 58.33(5) . . ?
O27 K2 O36 151.77(4) . . ?
O21 K2 O36 59.10(5) . . ?
O24 K2 O36 113.13(5) . . ?
O33 K2 O30 59.92(4) . . ?
O27 K2 O30 58.96(4) . . ?
O21 K2 O30 158.37(4) . . ?
O24 K2 O30 115.52(4) . . ?
O36 K2 O30 111.72(4) . . ?
O33 K2 C31 42.36(5) . . ?
O27 K2 C31 78.86(5) . . ?
O21 K2 C31 159.10(6) . . ?
O24 K2 C31 137.64(5) . . ?
O36 K2 C31 100.04(5) . . ?
O30 K2 C31 23.01(5) . . ?
O33 K2 C23 159.05(6) . . ?
O27 K2 C23 79.65(5) . . ?
O21 K2 C23 41.98(5) . . ?
O24 K2 C23 22.85(5) . . ?
O36 K2 C23 100.74(6) . . ?
O30 K2 C23 137.81(5) . . ?
C31 K2 C23 158.15(6) . . ?
O33 K2 Si2 96.92(3) . . ?
O27 K2 Si2 97.59(3) . . ?
O21 K2 Si2 98.94(3) . . ?
O24 K2 Si2 102.09(3) . . ?
O36 K2 Si2 110.63(3) . . ?
O30 K2 Si2 102.69(3) . . ?
C31 K2 Si2 89.32(4) . . ?
C23 K2 Si2 89.65(4) . . ?
Si13 Si1 Si11 105.18(2) . . ?
Si13 Si1 Si12 103.15(3) . . ?
Si11 Si1 Si12 105.60(2) . . ?
Si13 Si1 K1 111.61(2) . . ?
Si11 Si1 K1 127.08(2) . . ?
Si12 Si1 K1 101.59(2) . . ?
C11G Si11 C11A 104.15(7) . . ?
C11G Si11 C11M 104.50(7) . . ?
C11A Si11 C11M 105.68(8) . . ?
C11G Si11 Si1 120.58(6) . . ?
C11A Si11 Si1 112.02(5) . . ?
C11M Si11 Si1 108.75(5) . . ?
C12A Si12 C12C 105.02(17) . . ?
C12A Si12 C12B 105.26(17) . . ?
C12C Si12 C12B 104.45(11) . . ?
C12A Si12 Si1 111.25(9) . . ?
C12C Si12 Si1 120.17(9) . . ?
C12B Si12 Si1 109.54(9) . . ?
C13C Si13 C13A 106.23(10) . . ?
C13C Si13 C13B 104.43(9) . . ?
C13A Si13 C13B 105.05(11) . . ?
C13C Si13 Si1 110.36(7) . . ?
C13A Si13 Si1 108.25(7) . . ?
C13B Si13 Si1 121.49(7) . . ?
Si21 Si2 Si23 105.48(2) . . ?
Si21 Si2 Si22 104.69(2) . . ?
Si23 Si2 Si22 102.79(2) . . ?
Si21 Si2 K2 118.95(2) . . ?
Si23 Si2 K2 104.96(2) . . ?
Si22 Si2 K2 118.13(2) . . ?
C21G Si21 C21M 107.19(7) . . ?
C21G Si21 C21A 103.75(7) . . ?
C21M Si21 C21A 106.59(7) . . ?
C21G Si21 Si2 108.83(6) . . ?
C21M Si21 Si2 108.84(6) . . ?
C21A Si21 Si2 120.87(5) . . ?
C22C Si22 C22B 106.40(11) . . ?
C22C Si22 C22A 104.39(10) . . ?
C22B Si22 C22A 103.66(10) . . ?
C22C Si22 Si2 110.73(7) . . ?
C22B Si22 Si2 109.31(8) . . ?
C22A Si22 Si2 121.27(7) . . ?
C23A Si23 C23C 105.20(10) . . ?
C23A Si23 C23B 104.40(10) . . ?
C23C Si23 C23B 105.71(10) . . ?
C23A Si23 Si2 107.69(7) . . ?
C23C Si23 Si2 111.26(7) . . ?
C23B Si23 Si2 121.32(7) . . ?
C2 O1 C18 112.80(16) . . ?
C2 O1 K1 120.26(11) . . ?
C18 O1 K1 120.84(12) . . ?
C5 O4 C3 112.59(14) . . ?
C5 O4 K1 104.55(11) . . ?
C3 O4 K1 105.69(10) . . ?
C6 O7 C8 112.82(17) . . ?
C6 O7 K1 119.53(11) . . ?
C8 O7 K1 114.04(13) . . ?
C11 O10 C9 113.8(2) . . ?
C11 O10 K1 113.20(15) . . ?
C9 O10 K1 114.89(13) . . ?
C12 O13 C14 111.86(19) . . ?
C12 O13 K1 118.20(15) . . ?
C14 O13 K1 116.46(13) . . ?
C17 O16 C15 111.74(17) . . ?
C17 O16 K1 113.86(11) . . ?
C15 O16 K1 109.79(14) . . ?
C38 O21 C22 112.01(19) . . ?
C38 O21 K2 117.55(13) . . ?
C22 O21 K2 117.95(13) . . ?
C23 O24 C25 112.66(16) . . ?
C23 O24 K2 105.81(12) . . ?
C25 O24 K2 109.14(11) . . ?
C26 O27 C28 113.34(15) . . ?
C26 O27 K2 118.53(11) . . ?
C28 O27 K2 119.71(11) . . ?
C31 O30 C29 112.30(16) . . ?
C31 O30 K2 104.50(12) . . ?
C29 O30 K2 110.90(10) . . ?
C34 O33 C32 111.82(17) . . ?
C34 O33 K2 121.58(14) . . ?
C32 O33 K2 118.77(12) . . ?
C35 O36 C37 111.57(18) . . ?
C35 O36 K2 112.84(13) . . ?
C37 O36 K2 114.73(13) . . ?
O1 C2 C3 107.67(16) . . ?
O4 C3 C2 108.09(14) . . ?
O4 C5 C6 107.35(16) . . ?
O4 C5 K1 52.56(9) . . ?
C6 C5 K1 85.39(12) . . ?
O7 C6 C5 108.16(16) . . ?
O7 C8 C9 108.3(2) . . ?
O10 C9 C8 108.46(19) . . ?
C11B C11A C11F 116.29(15) . . ?
C11B C11A Si11 122.10(13) . . ?
C11F C11A Si11 121.56(13) . . ?
C11R C11M C11N 116.27(16) . . ?
C11R C11M Si11 123.97(13) . . ?
C11N C11M Si11 119.72(13) . . ?
C11D C11C C11B 120.15(18) . . ?
C11Q C11R C11M 121.72(16) . . ?
C11E C11F C11A 121.95(17) . . ?
C11P C11O C11N 120.01(17) . . ?
C11O C11N C11M 122.28(16) . . ?
C11C C11B C11A 121.99(17) . . ?
C11C C11D C11E 119.63(17) . . ?
C11K C11L C11G 122.15(17) . . ?
C11I C11J C11K 119.06(17) . . ?
C11J C11I C11H 120.31(18) . . ?
C11P C11Q C11R 120.46(17) . . ?
C11J C11K C11L 120.28(19) . . ?
C11I C11H C11G 122.12(18) . . ?
C11O C11P C11Q 119.22(18) . . ?
C11L C11G C11H 116.04(16) . . ?
C11L C11G Si11 121.79(12) . . ?
C11H C11G Si11 122.14(14) . . ?
C11D C11E C11F 119.99(18) . . ?
O10 C11 C12 108.3(2) . . ?
O13 C12 C11 109.3(2) . . ?
O13 C14 C15 109.50(18) . . ?
O16 C15 C14 107.99(19) . . ?
O16 C17 C18 108.43(17) . . ?
O1 C18 C17 107.13(18) . . ?
C21F C21A C21B 116.09(16) . . ?
C21F C21A Si21 121.86(13) . . ?
C21B C21A Si21 122.05(13) . . ?
C21D C21C C21B 120.34(18) . . ?
C21R C21M C21N 116.74(16) . . ?
C21R C21M Si21 121.23(13) . . ?
C21N C21M Si21 121.47(14) . . ?
C21C C21B C21A 122.21(17) . . ?
C21E C21F C21A 121.97(17) . . ?
C21K C21L C21G 121.46(18) . . ?
C21H C21G C21L 116.86(16) . . ?
C21H C21G Si21 119.25(12) . . ?
C21L C21G Si21 123.81(14) . . ?
C21J C21I C21H 119.83(19) . . ?
C21I C21H C21G 121.91(16) . . ?
C21D C21E C21F 120.50(18) . . ?
C21C C21D C21E 118.89(18) . . ?
C21Q C21R C21M 121.65(17) . . ?
C21O C21N C21M 121.86(18) . . ?
C21P C21O C21N 120.44(18) . . ?
C21K C21J C21I 119.91(17) . . ?
C21J C21K C21L 120.01(18) . . ?
C21O C21P C21Q 119.25(18) . . ?
C21P C21Q C21R 120.00(19) . . ?
O21 C22 C23 108.64(19) . . ?
O24 C23 C22 108.25(19) . . ?
O24 C23 K2 51.34(9) . . ?
C22 C23 K2 85.03(13) . . ?
O24 C25 C26 108.14(16) . . ?
O27 C26 C25 107.94(16) . . ?
O27 C28 C29 107.87(16) . . ?
O30 C29 C28 108.71(17) . . ?
O33 C32 C31 108.57(18) . . ?
O33 C34 C35 109.10(18) . . ?
O36 C35 C34 109.17(18) . . ?
O36 C37 C38 109.19(18) . . ?
O21 C38 C37 109.3(2) . . ?
O30 C31 C32 109.23(19) . . ?
O30 C31 K2 52.49(10) . . ?
C32 C31 K2 84.58(13) . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        30.52
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.532
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.058
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_database_code_depnum_ccdc_archive 'CCDC 1014872'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_rk6mon_3Li

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H33 Si4, C12 H24 Li O3'
_chemical_formula_sum            'C36 H57 Li O3 Si4'
_chemical_formula_weight         657.12

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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   12.5556(6)
_cell_length_b                   21.5357(12)
_cell_length_c                   14.6869(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.444(3)
_cell_angle_gamma                90.00
_cell_volume                     3953.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    1909
_cell_measurement_theta_min      2.784
_cell_measurement_theta_max      23.339

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.065
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1424
_exptl_absorpt_coefficient_mu    0.181
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8664
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker AXS Inc., 2005)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23918
_diffrn_reflns_av_R_equivalents  0.0862
_diffrn_reflns_av_sigmaI/netI    0.1228
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.78
_diffrn_reflns_theta_max         28.31
_reflns_number_total             9798
_reflns_number_gt                4834
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v.2014.1-1 (Bruker AXS Inc., 2014)'
_computing_cell_refinement       'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'SHELXTL 5.1 (Bruker AXS Inc., 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0792P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9798
_refine_ls_number_parameters     433
_refine_ls_number_restraints     27
_refine_ls_R_factor_all          0.1580
_refine_ls_R_factor_gt           0.0702
_refine_ls_wR_factor_ref         0.1943
_refine_ls_wR_factor_gt          0.1579
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si11 Si 0.67701(7) -0.38156(4) 0.80146(7) 0.0325(2) Uani 1 1 d . . .
Si1 Si 0.83395(7) -0.37948(4) 0.72608(7) 0.0330(2) Uani 1 1 d . . .
Si12 Si 0.94492(8) -0.45846(4) 0.79241(7) 0.0363(2) Uani 1 1 d . . .
Si13 Si 0.78073(8) -0.42326(4) 0.58235(7) 0.0406(3) Uani 1 1 d . . .
C12C C 0.8772(3) -0.52942(15) 0.8348(3) 0.0479(9) Uani 1 1 d . . .
H12A H 0.9315 -0.5588 0.8609 0.072 Uiso 1 1 calc R . .
H12B H 0.8340 -0.5492 0.7837 0.072 Uiso 1 1 calc R . .
H12C H 0.8309 -0.5173 0.8819 0.072 Uiso 1 1 calc R . .
C12B C 1.0368(3) -0.48738(16) 0.7070(3) 0.0516(10) Uani 1 1 d . . .
H12D H 1.0829 -0.5203 0.7349 0.077 Uiso 1 1 calc R . .
H12E H 1.0812 -0.4530 0.6886 0.077 Uiso 1 1 calc R . .
H12F H 0.9940 -0.5038 0.6531 0.077 Uiso 1 1 calc R . .
C12A C 1.0387(3) -0.42990(17) 0.8919(3) 0.0592(11) Uani 1 1 d . . .
H12G H 1.0829 -0.4645 0.9171 0.089 Uiso 1 1 calc R . .
H12H H 0.9969 -0.4132 0.9394 0.089 Uiso 1 1 calc R . .
H12I H 1.0849 -0.3972 0.8709 0.089 Uiso 1 1 calc R . .
C13C C 0.6520(4) -0.38756(19) 0.5302(3) 0.0681(13) Uani 1 1 d . . .
H13A H 0.6316 -0.4066 0.4705 0.102 Uiso 1 1 calc R . .
H13B H 0.6620 -0.3428 0.5224 0.102 Uiso 1 1 calc R . .
H13C H 0.5954 -0.3947 0.5705 0.102 Uiso 1 1 calc R . .
C13B C 0.7598(3) -0.50930(15) 0.5714(3) 0.0517(10) Uani 1 1 d . . .
H13D H 0.7377 -0.5198 0.5075 0.078 Uiso 1 1 calc R . .
H13E H 0.7040 -0.5222 0.6098 0.078 Uiso 1 1 calc R . .
H13F H 0.8267 -0.5309 0.5913 0.078 Uiso 1 1 calc R . .
C13A C 0.8841(4) -0.4054(2) 0.5011(3) 0.0759(14) Uani 1 1 d . . .
H13G H 0.8619 -0.4236 0.4411 0.114 Uiso 1 1 calc R . .
H13H H 0.9531 -0.4230 0.5250 0.114 Uiso 1 1 calc R . .
H13I H 0.8910 -0.3603 0.4949 0.114 Uiso 1 1 calc R . .
C20 C 0.6188(3) -0.29990(14) 0.8012(3) 0.0440(9) Uani 1 1 d . . .
C21 C 0.6083(3) -0.26501(16) 0.7214(3) 0.0650(12) Uani 1 1 d . . .
H21A H 0.6314 -0.2821 0.6670 0.078 Uiso 1 1 calc R . .
C22 C 0.5645(4) -0.20533(18) 0.7191(4) 0.0868(17) Uani 1 1 d . . .
H22A H 0.5573 -0.1828 0.6632 0.104 Uiso 1 1 calc R . .
C23 C 0.5323(4) -0.17914(18) 0.7960(5) 0.091(2) Uani 1 1 d . . .
H23A H 0.5034 -0.1383 0.7944 0.109 Uiso 1 1 calc R . .
C24 C 0.5420(4) -0.2123(2) 0.8758(5) 0.096(2) Uani 1 1 d . . .
H24A H 0.5182 -0.1945 0.9294 0.115 Uiso 1 1 calc R . .
C25 C 0.5866(3) -0.27241(17) 0.8802(4) 0.0730(15) Uani 1 1 d . . .
H25A H 0.5948 -0.2941 0.9368 0.088 Uiso 1 1 calc R . .
C30 C 0.5593(2) -0.43109(13) 0.7551(2) 0.0315(7) Uani 1 1 d . . .
C31 C 0.5714(3) -0.49477(14) 0.7425(2) 0.0387(8) Uani 1 1 d . . .
H31A H 0.6395 -0.5132 0.7574 0.046 Uiso 1 1 calc R . .
C32 C 0.4859(3) -0.53194(15) 0.7085(2) 0.0459(9) Uani 1 1 d . . .
H32A H 0.4966 -0.5752 0.7006 0.055 Uiso 1 1 calc R . .
C33 C 0.3867(3) -0.50674(17) 0.6865(2) 0.0477(9) Uani 1 1 d . . .
H33A H 0.3287 -0.5323 0.6633 0.057 Uiso 1 1 calc R . .
C34 C 0.3719(3) -0.44406(18) 0.6982(3) 0.0611(11) Uani 1 1 d . . .
H34A H 0.3034 -0.4260 0.6832 0.073 Uiso 1 1 calc R . .
C35 C 0.4572(3) -0.40732(17) 0.7319(3) 0.0540(10) Uani 1 1 d . . .
H35A H 0.4456 -0.3641 0.7396 0.065 Uiso 1 1 calc R . .
C40 C 0.7005(3) -0.40386(14) 0.9266(2) 0.0344(8) Uani 1 1 d . . .
C41 C 0.7912(3) -0.38422(17) 0.9795(3) 0.0487(9) Uani 1 1 d . . .
H41A H 0.8419 -0.3598 0.9514 0.058 Uiso 1 1 calc R . .
C42 C 0.8118(3) -0.3985(2) 1.0717(3) 0.0592(11) Uani 1 1 d . . .
H42A H 0.8754 -0.3841 1.1053 0.071 Uiso 1 1 calc R . .
C43 C 0.7398(3) -0.43359(18) 1.1139(3) 0.0514(10) Uani 1 1 d . . .
H43A H 0.7528 -0.4435 1.1770 0.062 Uiso 1 1 calc R . .
C44 C 0.6488(3) -0.45424(17) 1.0640(3) 0.0528(10) Uani 1 1 d . . .
H44A H 0.5981 -0.4782 1.0929 0.063 Uiso 1 1 calc R . .
C45 C 0.6305(3) -0.44021(16) 0.9719(3) 0.0462(9) Uani 1 1 d . . .
H45A H 0.5678 -0.4560 0.9383 0.055 Uiso 1 1 calc R . .
Li1 Li 0.9160(6) -0.2612(3) 0.7226(5) 0.0595(19) Uani 1 1 d . A .
O50 O 0.9127(2) -0.21310(11) 0.8349(2) 0.0599(8) Uani 1 1 d . . .
O60 O 1.0709(3) -0.25875(12) 0.7131(3) 0.1092(15) Uani 1 1 d . . .
O70 O 0.8603(3) -0.20531(11) 0.6226(2) 0.0756(10) Uani 1 1 d D . .
C50 C 0.8296(3) -0.17216(17) 0.8596(3) 0.0558(11) Uani 1 1 d . . .
H50A H 0.7584 -0.1912 0.8444 0.067 Uiso 1 1 calc R . .
H50B H 0.8322 -0.1322 0.8265 0.067 Uiso 1 1 calc R . .
C51 C 0.8500(4) -0.1621(2) 0.9602(4) 0.0860(16) Uani 1 1 d . . .
H51A H 0.7822 -0.1557 0.9883 0.103 Uiso 1 1 calc R . .
H51B H 0.8971 -0.1258 0.9739 0.103 Uiso 1 1 calc R . .
C52 C 0.9040(5) -0.2210(2) 0.9940(4) 0.0934(17) Uani 1 1 d . . .
H52A H 0.9507 -0.2140 1.0513 0.112 Uiso 1 1 calc R . .
H52B H 0.8511 -0.2537 1.0045 0.112 Uiso 1 1 calc R . .
C53 C 0.9683(4) -0.23790(19) 0.9168(4) 0.0812(16) Uani 1 1 d . . .
H53A H 1.0410 -0.2199 0.9268 0.097 Uiso 1 1 calc R . .
H53B H 0.9747 -0.2836 0.9120 0.097 Uiso 1 1 calc R . .
C60 C 1.1304(5) -0.2013(2) 0.7210(6) 0.152(3) Uani 1 1 d . . .
H60A H 1.1321 -0.1821 0.6599 0.183 Uiso 1 1 calc R . .
H60B H 1.0955 -0.1719 0.7606 0.183 Uiso 1 1 calc R . .
C61 C 1.2342(6) -0.2138(4) 0.7585(6) 0.145(3) Uani 1 1 d . . .
H61A H 1.2405 -0.2153 0.8262 0.174 Uiso 1 1 calc R . .
H61B H 1.2874 -0.1845 0.7372 0.174 Uiso 1 1 calc R . .
C62 C 1.2401(8) -0.2805(6) 0.7135(9) 0.243(6) Uani 1 1 d . . .
H62A H 1.2797 -0.2773 0.6585 0.292 Uiso 1 1 calc R . .
H62B H 1.2810 -0.3086 0.7574 0.292 Uiso 1 1 calc R . .
C63 C 1.1370(4) -0.3073(2) 0.6879(5) 0.102(2) Uani 1 1 d . . .
H63A H 1.1262 -0.3161 0.6215 0.122 Uiso 1 1 calc R . .
H63B H 1.1258 -0.3458 0.7226 0.122 Uiso 1 1 calc R . .
C70 C 0.7764(19) -0.2157(10) 0.5582(15) 0.28(2) Uani 0.50 1 d PD A 1
H70A H 0.7820 -0.2579 0.5321 0.340 Uiso 0.50 1 calc PR A 1
H70B H 0.7082 -0.2130 0.5866 0.340 Uiso 0.50 1 calc PR A 1
C71 C 0.778(2) -0.1730(7) 0.4915(11) 0.199(15) Uani 0.50 1 d PD A 1
H71A H 0.8242 -0.1869 0.4445 0.238 Uiso 0.50 1 calc PR A 1
H71B H 0.7049 -0.1657 0.4619 0.238 Uiso 0.50 1 calc PR A 1
C72 C 0.8161(15) -0.1228(5) 0.5320(9) 0.081(5) Uani 0.50 1 d PD A 1
H72A H 0.7635 -0.0885 0.5257 0.097 Uiso 0.50 1 calc PR A 1
H72B H 0.8831 -0.1094 0.5073 0.097 Uiso 0.50 1 calc PR A 1
C73 C 0.8352(10) -0.1423(3) 0.6233(7) 0.071(3) Uani 0.50 1 d PD A 1
H73A H 0.8952 -0.1185 0.6548 0.085 Uiso 0.50 1 calc PR A 1
H73B H 0.7707 -0.1354 0.6559 0.085 Uiso 0.50 1 calc PR A 1
C73A C 0.9080(18) -0.1500(7) 0.5904(11) 0.176(10) Uani 0.50 1 d PD A 2
H73C H 0.9078 -0.1174 0.6379 0.211 Uiso 0.50 1 calc PR A 2
H73D H 0.9834 -0.1587 0.5803 0.211 Uiso 0.50 1 calc PR A 2
C71A C 0.8179(19) -0.1801(9) 0.4724(10) 0.181(15) Uani 0.50 1 d PD A 2
H71C H 0.8470 -0.1873 0.4129 0.217 Uiso 0.50 1 calc PR A 2
H71D H 0.7388 -0.1797 0.4628 0.217 Uiso 0.50 1 calc PR A 2
C70A C 0.8528(18) -0.2241(5) 0.5339(7) 0.163(11) Uani 0.50 1 d PD A 2
H70C H 0.9241 -0.2386 0.5194 0.196 Uiso 0.50 1 calc PR A 2
H70D H 0.8034 -0.2600 0.5270 0.196 Uiso 0.50 1 calc PR A 2
C72A C 0.8545(16) -0.1281(7) 0.5096(13) 0.135(11) Uani 0.50 1 d PD A 2
H72C H 0.7957 -0.0995 0.5216 0.162 Uiso 0.50 1 calc PR A 2
H72D H 0.9038 -0.1069 0.4710 0.162 Uiso 0.50 1 calc PR 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
Si11 C40 1.896(4) . ?
Si11 C30 1.896(3) . ?
Si11 C20 1.905(3) . ?
Si11 Si1 2.3504(12) . ?
Si1 Si13 2.3504(14) . ?
Si1 Si12 2.3507(12) . ?
Si1 Li1 2.750(6) . ?
Si12 C12C 1.883(3) . ?
Si12 C12B 1.889(4) . ?
Si12 C12A 1.891(4) . ?
Si13 C13B 1.876(3) . ?
Si13 C13A 1.884(4) . ?
Si13 C13C 1.886(4) . ?
C20 C21 1.388(5) . ?
C20 C25 1.396(5) . ?
C21 C22 1.397(5) . ?
C22 C23 1.357(7) . ?
C23 C24 1.369(7) . ?
C24 C25 1.408(5) . ?
C30 C35 1.392(5) . ?
C30 C31 1.394(4) . ?
C31 C32 1.393(5) . ?
C32 C33 1.370(5) . ?
C33 C34 1.376(5) . ?
C34 C35 1.385(5) . ?
C40 C41 1.382(5) . ?
C40 C45 1.393(5) . ?
C41 C42 1.389(5) . ?
C42 C43 1.371(5) . ?
C43 C44 1.372(5) . ?
C44 C45 1.384(5) . ?
Li1 O50 1.951(8) . ?
Li1 O60 1.964(7) . ?
Li1 O70 1.974(8) . ?
O50 C53 1.435(5) . ?
O50 C50 1.439(4) . ?
O60 C63 1.405(5) . ?
O60 C60 1.444(5) . ?
O70 C70A 1.359(10) . ?
O70 C70 1.366(13) . ?
O70 C73 1.393(7) . ?
O70 C73A 1.433(10) . ?
C50 C51 1.492(6) . ?
C51 C52 1.500(6) . ?
C52 C53 1.498(7) . ?
C60 C61 1.392(8) . ?
C61 C62 1.586(12) . ?
C62 C63 1.435(12) . ?
C70 C71 1.344(13) . ?
C70 C73 1.96(2) . ?
C71 C72 1.303(11) . ?
C72 C73 1.403(11) . ?
C73A C72A 1.390(13) . ?
C73A C70A 1.899(18) . ?
C71A C72A 1.310(13) . ?
C71A C70A 1.354(13) . ?

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
C40 Si11 C30 104.48(14) . . ?
C40 Si11 C20 105.08(16) . . ?
C30 Si11 C20 103.45(14) . . ?
C40 Si11 Si1 113.66(11) . . ?
C30 Si11 Si1 120.09(10) . . ?
C20 Si11 Si1 108.69(12) . . ?
Si13 Si1 Si11 103.63(5) . . ?
Si13 Si1 Si12 100.88(4) . . ?
Si11 Si1 Si12 106.34(5) . . ?
Si13 Si1 Li1 115.47(17) . . ?
Si11 Si1 Li1 111.03(14) . . ?
Si12 Si1 Li1 118.01(16) . . ?
C12C Si12 C12B 105.99(16) . . ?
C12C Si12 C12A 106.02(19) . . ?
C12B Si12 C12A 104.23(18) . . ?
C12C Si12 Si1 117.11(12) . . ?
C12B Si12 Si1 109.80(13) . . ?
C12A Si12 Si1 112.71(12) . . ?
C13B Si13 C13A 104.30(18) . . ?
C13B Si13 C13C 105.1(2) . . ?
C13A Si13 C13C 106.0(2) . . ?
C13B Si13 Si1 119.91(12) . . ?
C13A Si13 Si1 109.42(16) . . ?
C13C Si13 Si1 111.17(13) . . ?
C21 C20 C25 117.4(3) . . ?
C21 C20 Si11 120.5(3) . . ?
C25 C20 Si11 122.1(3) . . ?
C20 C21 C22 121.6(4) . . ?
C23 C22 C21 120.6(5) . . ?
C22 C23 C24 119.1(4) . . ?
C23 C24 C25 121.5(5) . . ?
C20 C25 C24 119.8(4) . . ?
C35 C30 C31 116.0(3) . . ?
C35 C30 Si11 123.3(2) . . ?
C31 C30 Si11 120.7(2) . . ?
C32 C31 C30 121.5(3) . . ?
C33 C32 C31 120.7(3) . . ?
C32 C33 C34 119.3(3) . . ?
C33 C34 C35 119.8(4) . . ?
C34 C35 C30 122.7(3) . . ?
C41 C40 C45 115.3(3) . . ?
C41 C40 Si11 120.7(3) . . ?
C45 C40 Si11 123.9(3) . . ?
C40 C41 C42 123.2(3) . . ?
C43 C42 C41 119.5(4) . . ?
C42 C43 C44 119.3(4) . . ?
C43 C44 C45 120.2(4) . . ?
C44 C45 C40 122.4(3) . . ?
O50 Li1 O60 98.4(4) . . ?
O50 Li1 O70 105.7(3) . . ?
O60 Li1 O70 102.4(3) . . ?
O50 Li1 Si1 116.0(3) . . ?
O60 Li1 Si1 113.7(3) . . ?
O70 Li1 Si1 118.1(3) . . ?
C53 O50 C50 108.9(3) . . ?
C53 O50 Li1 117.6(3) . . ?
C50 O50 Li1 127.8(3) . . ?
C63 O60 C60 110.2(4) . . ?
C63 O60 Li1 127.7(3) . . ?
C60 O60 Li1 121.7(3) . . ?
C70A O70 C70 46.2(16) . . ?
C70A O70 C73 107.6(7) . . ?
C70 O70 C73 90.2(12) . . ?
C70A O70 C73A 85.7(9) . . ?
C70 O70 C73A 103.1(9) . . ?
C73 O70 C73A 45.2(10) . . ?
C70A O70 Li1 121.2(6) . . ?
C70 O70 Li1 127.6(7) . . ?
C73 O70 Li1 130.7(5) . . ?
C73A O70 Li1 128.5(8) . . ?
O50 C50 C51 106.2(3) . . ?
C50 C51 C52 103.6(4) . . ?
C53 C52 C51 102.3(4) . . ?
O50 C53 C52 106.9(4) . . ?
C61 C60 O60 108.9(5) . . ?
C60 C61 C62 95.1(7) . . ?
C63 C62 C61 113.4(6) . . ?
O60 C63 C62 99.9(5) . . ?
C71 C70 O70 109.2(11) . . ?
C71 C70 C73 76.8(8) . . ?
O70 C70 C73 45.4(7) . . ?
C72 C71 C70 105.4(11) . . ?
C71 C72 C73 102.1(8) . . ?
O70 C73 C72 107.6(8) . . ?
O70 C73 C70 44.3(7) . . ?
C72 C73 C70 75.7(6) . . ?
C72A C73A O70 112.4(10) . . ?
C72A C73A C70A 77.6(7) . . ?
O70 C73A C70A 45.5(5) . . ?
C72A C71A C70A 104.0(10) . . ?
C71A C70A O70 114.8(9) . . ?
C71A C70A C73A 77.6(7) . . ?
O70 C70A C73A 48.8(6) . . ?
C71A C72A C73A 100.8(9) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        28.31
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.327
_refine_diff_density_rms         0.059
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_database_code_depnum_ccdc_archive 'CCDC 1014873'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_rk9mon_4

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H66 Cl Si8 Sn, C12 H24 K O6'
_chemical_formula_sum            'C60 H90 Cl K O6 Si8 Sn'
_chemical_formula_weight         1325.28

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'
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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   13.1663(7)
_cell_length_b                   19.2365(10)
_cell_length_c                   27.4977(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.834(2)
_cell_angle_gamma                90.00
_cell_volume                     6960.9(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9129
_cell_measurement_theta_min      2.244
_cell_measurement_theta_max      27.362

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2784
_exptl_absorpt_coefficient_mu    0.647
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8396
_exptl_absorpt_correction_T_max  0.9684
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker AXS Inc., 2005)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            59766
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0446
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         27.45
_reflns_number_total             15550
_reflns_number_gt                12436
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v.2014.1-1 (Bruker AXS Inc., 2014)'
_computing_cell_refinement       'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'SHELXTL 5.1 (Bruker AXS Inc., 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0415P)²+3.7638P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15550
_refine_ls_number_parameters     713
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.0947
_refine_ls_wR_factor_gt          0.0881
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.010740(14) 0.819111(8) 0.138659(6) 0.02036(6) Uani 0.9293(6) 1 d P A 1
Cl1 Cl -0.14523(6) 0.80079(4) 0.08172(2) 0.03882(18) Uani 0.9293(6) 1 d P A 1
Sn1A Sn -0.0762(2) 0.77734(14) 0.13075(8) 0.0351(9) Uani 0.0707(6) 1 d P A 2
Cl1A Cl 0.0127(17) 0.8745(8) 0.0921(8) 0.128(9) Uani 0.0707(6) 1 d P A 2
K1 K -0.23144(5) 0.82277(3) -0.02495(2) 0.03220(14) Uani 1 1 d . . .
Si1 Si 0.08324(5) 0.68989(3) 0.12488(2) 0.02132(14) Uani 1 1 d . . .
Si2 Si -0.08248(5) 0.83663(3) 0.22356(2) 0.01829(13) Uani 1 1 d . . .
Si11 Si 0.12440(6) 0.61457(4) 0.19029(2) 0.02917(16) Uani 1 1 d . A .
Si12 Si -0.01464(6) 0.61745(4) 0.07185(3) 0.03040(17) Uani 1 1 d . A .
Si13 Si 0.23514(5) 0.72331(3) 0.08784(2) 0.02185(14) Uani 1 1 d . A .
Si21 Si 0.04839(5) 0.90160(3) 0.26261(2) 0.02331(15) Uani 1 1 d . A .
Si22 Si -0.20657(5) 0.92143(3) 0.20192(2) 0.02413(15) Uani 1 1 d . A .
Si23 Si -0.16573(5) 0.76433(3) 0.27965(2) 0.02087(14) Uani 1 1 d . A .
C2M C -0.27005(19) 0.71222(12) 0.24856(8) 0.0233(5) Uani 1 1 d . . .
C2 C -0.4023(3) 0.6980(2) 0.01548(18) 0.0843(15) Uani 1 1 d D . .
H2A H -0.4647 0.6778 0.0288 0.101 Uiso 1 1 calc R A .
H2B H -0.3446 0.6870 0.0382 0.101 Uiso 1 1 calc R . .
C3 C -0.3839(3) 0.66746(19) -0.03284(19) 0.0807(14) Uani 1 1 d D A .
H3A H -0.3876 0.6162 -0.0306 0.097 Uiso 1 1 calc R . .
H3B H -0.4377 0.6832 -0.0563 0.097 Uiso 1 1 calc R . .
C5 C -0.2688(3) 0.65607(18) -0.09525(13) 0.0632(10) Uani 1 1 d D . .
H5A H -0.3226 0.6689 -0.1195 0.076 Uiso 1 1 calc R A .
H5B H -0.2679 0.6048 -0.0922 0.076 Uiso 1 1 calc R . .
C6 C -0.1677(3) 0.68123(19) -0.11175(12) 0.0599(10) Uani 1 1 d D A .
H6A H -0.1134 0.6666 -0.0882 0.072 Uiso 1 1 calc R . .
H6B H -0.1532 0.6608 -0.1438 0.072 Uiso 1 1 calc R . .
C8 C -0.0771(3) 0.7804(2) -0.13197(14) 0.0704(12) Uani 1 1 d D . .
H8A H -0.0625 0.7598 -0.1640 0.084 Uiso 1 1 calc R A .
H8B H -0.0207 0.7679 -0.1089 0.084 Uiso 1 1 calc R . .
C9 C -0.0840(3) 0.8574(2) -0.13647(13) 0.0774(13) Uani 1 1 d D A .
H9A H -0.0190 0.8761 -0.1479 0.093 Uiso 1 1 calc R . .
H9B H -0.1383 0.8698 -0.1607 0.093 Uiso 1 1 calc R . .
C11B C 0.2159(3) 0.54409(16) 0.17345(11) 0.0473(8) Uani 1 1 d . . .
H11A H 0.2303 0.5144 0.2018 0.071 Uiso 1 1 calc R A .
H11B H 0.2792 0.5651 0.1628 0.071 Uiso 1 1 calc R . .
H11C H 0.1858 0.5160 0.1469 0.071 Uiso 1 1 calc R . .
C11A C 0.1811(3) 0.65953(18) 0.24506(10) 0.0572(10) Uani 1 1 d . . .
H11D H 0.1962 0.6253 0.2707 0.086 Uiso 1 1 calc R A .
H11E H 0.1328 0.6939 0.2569 0.086 Uiso 1 1 calc R . .
H11F H 0.2440 0.6830 0.2363 0.086 Uiso 1 1 calc R . .
C11C C 0.0049(3) 0.57158(16) 0.21025(11) 0.0467(8) Uani 1 1 d . . .
H11G H 0.0209 0.5401 0.2374 0.070 Uiso 1 1 calc R A .
H11H H -0.0256 0.5451 0.1831 0.070 Uiso 1 1 calc R . .
H11I H -0.0431 0.6071 0.2207 0.070 Uiso 1 1 calc R . .
C11 C -0.1054(3) 0.96117(18) -0.09424(15) 0.0680(11) Uani 1 1 d D . .
H11J H -0.1566 0.9768 -0.1191 0.082 Uiso 1 1 calc R A .
H11K H -0.0379 0.9778 -0.1040 0.082 Uiso 1 1 calc R . .
C12B C 0.0362(2) 0.52599(14) 0.06891(11) 0.0420(7) Uani 1 1 d . . .
H12A H -0.0069 0.4984 0.0466 0.063 Uiso 1 1 calc R A .
H12B H 0.0362 0.5051 0.1014 0.063 Uiso 1 1 calc R . .
H12C H 0.1057 0.5269 0.0572 0.063 Uiso 1 1 calc R . .
C12A C -0.0243(3) 0.65060(16) 0.00768(9) 0.0420(7) Uani 1 1 d . . .
H12D H -0.0656 0.6185 -0.0123 0.063 Uiso 1 1 calc R A .
H12E H 0.0439 0.6540 -0.0054 0.063 Uiso 1 1 calc R . .
H12F H -0.0563 0.6966 0.0073 0.063 Uiso 1 1 calc R . .
C12C C -0.1482(2) 0.60963(17) 0.09312(11) 0.0453(7) Uani 1 1 d . . .
H12G H -0.1875 0.5795 0.0708 0.068 Uiso 1 1 calc R A .
H12H H -0.1796 0.6558 0.0938 0.068 Uiso 1 1 calc R . .
H12I H -0.1473 0.5895 0.1259 0.068 Uiso 1 1 calc R . .
C12 C -0.1293(3) 0.99065(19) -0.04664(15) 0.0652(10) Uani 1 1 d D A .
H12J H -0.0801 0.9734 -0.0215 0.078 Uiso 1 1 calc R . .
H12K H -0.1243 1.0420 -0.0478 0.078 Uiso 1 1 calc R . .
C13G C 0.31996(19) 0.64641(12) 0.07453(8) 0.0232(5) Uani 1 1 d . . .
C13H C 0.2856(2) 0.59869(13) 0.03969(9) 0.0303(6) Uani 1 1 d . A .
H13A H 0.2223 0.6066 0.0231 0.036 Uiso 1 1 calc R . .
C13I C 0.3417(2) 0.53961(14) 0.02851(9) 0.0357(6) Uani 1 1 d . . .
H13B H 0.3166 0.5080 0.0045 0.043 Uiso 1 1 calc R A .
C13L C 0.4695(2) 0.57373(13) 0.08669(9) 0.0301(6) Uani 1 1 d . . .
H13C H 0.5329 0.5655 0.1032 0.036 Uiso 1 1 calc R A .
C13F C 0.1269(2) 0.79847(14) 0.01065(9) 0.0359(6) Uani 1 1 d . A .
H13D H 0.0693 0.7961 0.0305 0.043 Uiso 1 1 calc R . .
C13M C 0.3054(2) 0.78756(13) 0.12886(10) 0.0314(6) Uani 1 1 d . . .
C13J C 0.4332(2) 0.52731(13) 0.05229(9) 0.0337(6) Uani 1 1 d . A .
H13E H 0.4713 0.4869 0.0450 0.040 Uiso 1 1 calc R . .
C13O C 0.4067(2) 0.8162(2) 0.20184(12) 0.0560(10) Uani 1 1 d . . .
H13F H 0.4430 0.8012 0.2304 0.067 Uiso 1 1 calc R A .
C13N C 0.3582(2) 0.76805(16) 0.17171(10) 0.0398(7) Uani 1 1 d . A .
H13G H 0.3608 0.7203 0.1804 0.048 Uiso 1 1 calc R . .
C13B C 0.3004(2) 0.77388(14) -0.00353(10) 0.0380(7) Uani 1 1 d . A .
H13H H 0.3636 0.7542 0.0069 0.046 Uiso 1 1 calc R . .
C13P C 0.4025(3) 0.8852(2) 0.19049(15) 0.0649(12) Uani 1 1 d . A .
H13I H 0.4352 0.9183 0.2113 0.078 Uiso 1 1 calc R . .
C13R C 0.3030(2) 0.85840(15) 0.11830(12) 0.0436(7) Uani 1 1 d . A .
H13J H 0.2681 0.8741 0.0896 0.052 Uiso 1 1 calc R . .
C13A C 0.2173(2) 0.76825(12) 0.02682(9) 0.0270(5) Uani 1 1 d . . .
C13C C 0.2933(3) 0.80710(15) -0.04816(11) 0.0481(9) Uani 1 1 d . . .
H13K H 0.3511 0.8104 -0.0678 0.058 Uiso 1 1 calc R A .
C13K C 0.4132(2) 0.63300(12) 0.09726(9) 0.0265(5) Uani 1 1 d . A .
H13L H 0.4396 0.6650 0.1207 0.032 Uiso 1 1 calc R . .
C13D C 0.2016(3) 0.83541(15) -0.06388(10) 0.0502(9) Uani 1 1 d . A .
H13M H 0.1954 0.8569 -0.0949 0.060 Uiso 1 1 calc R . .
C13E C 0.1189(3) 0.83234(16) -0.03420(11) 0.0479(8) Uani 1 1 d . . .
H13N H 0.0564 0.8533 -0.0444 0.058 Uiso 1 1 calc R A .
C13Q C 0.3511(3) 0.90685(18) 0.14919(16) 0.0612(11) Uani 1 1 d . . .
H13O H 0.3481 0.9550 0.1415 0.073 Uiso 1 1 calc R A .
C14 C -0.2617(3) 1.00523(18) 0.00721(13) 0.0632(10) Uani 1 1 d D . .
H14A H -0.2650 1.0560 0.0014 0.076 Uiso 1 1 calc R A .
H14B H -0.2133 0.9967 0.0348 0.076 Uiso 1 1 calc R . .
C15 C -0.3631(3) 0.97897(18) 0.01914(14) 0.0624(10) Uani 1 1 d D A .
H15A H -0.3889 1.0046 0.0474 0.075 Uiso 1 1 calc R . .
H15B H -0.4112 0.9862 -0.0088 0.075 Uiso 1 1 calc R . .
C17 C -0.4485(3) 0.8799(2) 0.04573(13) 0.0614(10) Uani 1 1 d D . .
H17A H -0.5027 0.8867 0.0204 0.074 Uiso 1 1 calc R A .
H17B H -0.4693 0.9037 0.0758 0.074 Uiso 1 1 calc R . .
C18 C -0.4337(3) 0.8043(2) 0.05537(12) 0.0590(10) Uani 1 1 d D A .
H18A H -0.3762 0.7973 0.0790 0.071 Uiso 1 1 calc R . .
H18B H -0.4957 0.7843 0.0692 0.071 Uiso 1 1 calc R . .
C21C C 0.0187(2) 0.93336(14) 0.32515(9) 0.0344(6) Uani 1 1 d . . .
H21A H 0.0767 0.9597 0.3387 0.052 Uiso 1 1 calc R A .
H21B H 0.0053 0.8935 0.3462 0.052 Uiso 1 1 calc R . .
H21C H -0.0414 0.9634 0.3232 0.052 Uiso 1 1 calc R . .
C21B C 0.0724(2) 0.98118(14) 0.22534(10) 0.0397(7) Uani 1 1 d . . .
H21D H 0.1266 1.0088 0.2411 0.060 Uiso 1 1 calc R A .
H21E H 0.0101 1.0090 0.2226 0.060 Uiso 1 1 calc R . .
H21F H 0.0929 0.9673 0.1928 0.060 Uiso 1 1 calc R . .
C21A C 0.1723(2) 0.85348(15) 0.26594(10) 0.0359(6) Uani 1 1 d . . .
H21G H 0.2241 0.8824 0.2824 0.054 Uiso 1 1 calc R A .
H21H H 0.1935 0.8426 0.2330 0.054 Uiso 1 1 calc R . .
H21I H 0.1640 0.8102 0.2842 0.054 Uiso 1 1 calc R . .
C22C C -0.2353(2) 0.98320(13) 0.25289(10) 0.0358(6) Uani 1 1 d . . .
H22A H -0.2869 1.0167 0.2416 0.054 Uiso 1 1 calc R A .
H22B H -0.1731 1.0080 0.2630 0.054 Uiso 1 1 calc R . .
H22C H -0.2607 0.9570 0.2805 0.054 Uiso 1 1 calc R . .
C22B C -0.3259(2) 0.87796(16) 0.17989(11) 0.0415(7) Uani 1 1 d . . .
H22D H -0.3769 0.9133 0.1710 0.062 Uiso 1 1 calc R A .
H22E H -0.3517 0.8483 0.2057 0.062 Uiso 1 1 calc R . .
H22F H -0.3120 0.8495 0.1513 0.062 Uiso 1 1 calc R . .
C22A C -0.1668(2) 0.97699(14) 0.14935(10) 0.0379(7) Uani 1 1 d . . .
H22G H -0.2200 1.0112 0.1416 0.057 Uiso 1 1 calc R A .
H22H H -0.1564 0.9475 0.1209 0.057 Uiso 1 1 calc R . .
H22I H -0.1033 1.0011 0.1582 0.057 Uiso 1 1 calc R . .
C23A C -0.2303(2) 0.81734(12) 0.32794(9) 0.0281(6) Uani 1 1 d . . .
C23G C -0.0811(2) 0.70121(12) 0.31504(8) 0.0246(5) Uani 1 1 d . . .
C23N C -0.2690(2) 0.69567(14) 0.19925(9) 0.0315(6) Uani 1 1 d . A .
H23A H -0.2142 0.7112 0.1804 0.038 Uiso 1 1 calc R . .
C23R C -0.3529(2) 0.68866(13) 0.27450(9) 0.0326(6) Uani 1 1 d . A .
H23B H -0.3559 0.6989 0.3082 0.039 Uiso 1 1 calc R . .
C23P C -0.4276(2) 0.63472(13) 0.20366(9) 0.0313(6) Uani 1 1 d . A .
H23C H -0.4807 0.6084 0.1884 0.038 Uiso 1 1 calc R . .
C23L C 0.0105(2) 0.72202(14) 0.33674(10) 0.0373(7) Uani 1 1 d . A .
H23D H 0.0331 0.7683 0.3318 0.045 Uiso 1 1 calc R . .
C23K C 0.0706(3) 0.67747(16) 0.36555(11) 0.0462(8) Uani 1 1 d . . .
H23E H 0.1331 0.6934 0.3798 0.055 Uiso 1 1 calc R A .
C23H C -0.1109(2) 0.63304(13) 0.32388(9) 0.0323(6) Uani 1 1 d . A .
H23F H -0.1738 0.6169 0.3102 0.039 Uiso 1 1 calc R . .
C23Q C -0.4307(2) 0.65079(14) 0.25214(10) 0.0349(6) Uani 1 1 d . . .
H23G H -0.4866 0.6359 0.2705 0.042 Uiso 1 1 calc R A .
C23I C -0.0515(3) 0.58790(14) 0.35207(10) 0.0408(7) Uani 1 1 d . . .
H23H H -0.0732 0.5414 0.3568 0.049 Uiso 1 1 calc R A .
C23B C -0.3282(2) 0.84436(15) 0.32083(11) 0.0415(7) Uani 1 1 d . A .
H23I H -0.3646 0.8354 0.2911 0.050 Uiso 1 1 calc R . .
C23O C -0.3464(2) 0.65703(15) 0.17715(9) 0.0361(6) Uani 1 1 d . . .
H23J H -0.3436 0.6458 0.1436 0.043 Uiso 1 1 calc R A .
C23J C 0.0391(3) 0.61055(15) 0.37317(10) 0.0434(7) Uani 1 1 d . A .
H23K H 0.0794 0.5799 0.3929 0.052 Uiso 1 1 calc R . .
C23F C -0.1812(3) 0.83192(15) 0.37261(9) 0.0431(8) Uani 1 1 d . A .
H23L H -0.1152 0.8136 0.3791 0.052 Uiso 1 1 calc R . .
C23C C -0.3736(3) 0.88424(16) 0.35648(14) 0.0568(10) Uani 1 1 d . . .
H23M H -0.4404 0.9018 0.3511 0.068 Uiso 1 1 calc R A .
C23D C -0.3211(4) 0.89827(17) 0.39984(13) 0.0676(12) Uani 1 1 d . A .
H23N H -0.3514 0.9260 0.4240 0.081 Uiso 1 1 calc R . .
C23E C -0.2262(4) 0.87235(19) 0.40769(12) 0.0658(11) Uani 1 1 d . . .
H23O H -0.1903 0.8819 0.4375 0.079 Uiso 1 1 calc R A .
O1 O -0.41313(17) 0.77170(11) 0.01094(8) 0.0484(5) Uani 1 1 d D A .
O4 O -0.28963(19) 0.68661(11) -0.04957(9) 0.0549(6) Uani 1 1 d D A .
O7 O -0.16961(18) 0.75303(13) -0.11515(7) 0.0546(6) Uani 1 1 d D A .
O10 O -0.10532(17) 0.88662(13) -0.09174(8) 0.0548(6) Uani 1 1 d D A .
O13 O -0.22748(17) 0.97103(11) -0.03504(8) 0.0517(6) Uani 1 1 d D A .
O16 O -0.35612(17) 0.90848(12) 0.02992(8) 0.0516(6) Uani 1 1 d D A .


_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 Cl1 2.5664(8) . ?
Sn1 Si2 2.6932(6) . ?
Sn1 Si1 2.6939(7) . ?
Cl1 K1 3.1396(9) . ?
Sn1A Cl1A 2.464(14) . ?
Sn1A Si1 2.699(3) . ?
Sn1A Si2 2.799(2) . ?
K1 O1 2.795(2) . ?
K1 O10 2.799(2) . ?
K1 O16 2.802(2) . ?
K1 O4 2.806(2) . ?
K1 O13 2.866(2) . ?
K1 O7 2.957(2) . ?
Si1 Si11 2.3590(9) . ?
Si1 Si13 2.3625(9) . ?
Si1 Si12 2.3684(10) . ?
Si2 Si21 2.3592(9) . ?
Si2 Si22 2.3711(9) . ?
Si2 Si23 2.3713(8) . ?
Si11 C11A 1.871(3) . ?
Si11 C11C 1.875(3) . ?
Si11 C11B 1.881(3) . ?
Si12 C12A 1.877(3) . ?
Si12 C12C 1.877(3) . ?
Si12 C12B 1.885(3) . ?
Si13 C13M 1.894(3) . ?
Si13 C13A 1.895(2) . ?
Si13 C13G 1.896(2) . ?
Si21 C21B 1.874(3) . ?
Si21 C21A 1.875(3) . ?
Si21 C21C 1.878(3) . ?
Si22 C22B 1.864(3) . ?
Si22 C22C 1.885(3) . ?
Si22 C22A 1.885(3) . ?
Si23 C2M 1.883(3) . ?
Si23 C23G 1.896(3) . ?
Si23 C23A 1.897(2) . ?
C2M C23N 1.393(3) . ?
C2M C23R 1.398(3) . ?
C2 O1 1.430(4) . ?
C2 C3 1.479(6) . ?
C3 O4 1.387(4) . ?
C5 O4 1.421(4) . ?
C5 C6 1.500(5) . ?
C6 O7 1.384(4) . ?
C8 O7 1.418(4) . ?
C8 C9 1.490(6) . ?
C9 O10 1.389(4) . ?
C11 O10 1.436(4) . ?
C11 C12 1.470(5) . ?
C12 O13 1.393(4) . ?
C13G C13K 1.384(4) . ?
C13G C13H 1.392(3) . ?
C13H C13I 1.395(4) . ?
C13I C13J 1.373(4) . ?
C13L C13J 1.376(4) . ?
C13L C13K 1.396(3) . ?
C13F C13A 1.385(4) . ?
C13F C13E 1.396(4) . ?
C13M C13R 1.393(4) . ?
C13M C13N 1.400(4) . ?
C13O C13P 1.363(5) . ?
C13O C13N 1.386(4) . ?
C13B C13C 1.384(4) . ?
C13B C13A 1.401(4) . ?
C13P C13Q 1.368(6) . ?
C13R C13Q 1.399(5) . ?
C13C C13D 1.381(5) . ?
C13D C13E 1.384(5) . ?
C14 O13 1.421(4) . ?
C14 C15 1.475(5) . ?
C15 O16 1.390(4) . ?
C17 O16 1.415(4) . ?
C17 C18 1.490(5) . ?
C18 O1 1.408(4) . ?
C23A C23F 1.398(4) . ?
C23A C23B 1.398(4) . ?
C23G C23L 1.387(4) . ?
C23G C23H 1.393(3) . ?
C23N C23O 1.386(4) . ?
C23R C23Q 1.385(4) . ?
C23P C23Q 1.371(4) . ?
C23P C23O 1.381(4) . ?
C23L C23K 1.396(4) . ?
C23K C23J 1.371(4) . ?
C23H C23I 1.389(4) . ?
C23I C23J 1.380(5) . ?
C23B C23C 1.394(4) . ?
C23F C23E 1.387(4) . ?
C23C C23D 1.386(6) . ?
C23D C23E 1.355(6) . ?

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
Cl1 Sn1 Si2 99.67(2) . . ?
Cl1 Sn1 Si1 93.88(2) . . ?
Si2 Sn1 Si1 114.250(19) . . ?
Sn1 Cl1 K1 144.07(3) . . ?
Cl1A Sn1A Si1 93.8(4) . . ?
Cl1A Sn1A Si2 96.5(6) . . ?
Si1 Sn1A Si2 110.74(10) . . ?
O1 K1 O10 156.67(7) . . ?
O1 K1 O16 59.59(7) . . ?
O10 K1 O16 117.73(7) . . ?
O1 K1 O4 61.77(7) . . ?
O10 K1 O4 114.48(7) . . ?
O16 K1 O4 121.28(7) . . ?
O1 K1 O13 113.72(7) . . ?
O10 K1 O13 59.12(7) . . ?
O16 K1 O13 58.62(7) . . ?
O4 K1 O13 155.67(7) . . ?
O1 K1 O7 113.48(7) . . ?
O10 K1 O7 57.56(7) . . ?
O16 K1 O7 154.23(7) . . ?
O4 K1 O7 56.94(7) . . ?
O13 K1 O7 111.34(7) . . ?
O1 K1 Cl1 84.88(5) . . ?
O10 K1 Cl1 117.89(6) . . ?
O16 K1 Cl1 77.09(5) . . ?
O4 K1 Cl1 100.81(5) . . ?
O13 K1 Cl1 102.55(5) . . ?
O7 K1 Cl1 128.43(5) . . ?
Si11 Si1 Si13 108.60(4) . . ?
Si11 Si1 Si12 102.44(4) . . ?
Si13 Si1 Si12 110.25(3) . . ?
Si11 Si1 Sn1 122.23(3) . . ?
Si13 Si1 Sn1 96.78(3) . . ?
Si12 Si1 Sn1 116.18(3) . . ?
Si11 Si1 Sn1A 119.82(6) . . ?
Si13 Si1 Sn1A 121.80(7) . . ?
Si12 Si1 Sn1A 89.69(7) . . ?
Sn1 Si1 Sn1A 30.31(7) . . ?
Si21 Si2 Si22 103.71(3) . . ?
Si21 Si2 Si23 111.14(3) . . ?
Si22 Si2 Si23 103.74(3) . . ?
Si21 Si2 Sn1 96.57(3) . . ?
Si22 Si2 Sn1 101.43(3) . . ?
Si23 Si2 Sn1 136.34(3) . . ?
Si21 Si2 Sn1A 126.05(7) . . ?
Si22 Si2 Sn1A 95.27(6) . . ?
Si23 Si2 Sn1A 112.45(7) . . ?
Sn1 Si2 Sn1A 29.67(6) . . ?
C11A Si11 C11C 106.57(16) . . ?
C11A Si11 C11B 106.81(17) . . ?
C11C Si11 C11B 107.70(15) . . ?
C11A Si11 Si1 113.94(11) . . ?
C11C Si11 Si1 108.63(11) . . ?
C11B Si11 Si1 112.84(9) . . ?
C12A Si12 C12C 106.51(15) . . ?
C12A Si12 C12B 106.88(13) . . ?
C12C Si12 C12B 106.03(14) . . ?
C12A Si12 Si1 113.47(10) . . ?
C12C Si12 Si1 110.61(10) . . ?
C12B Si12 Si1 112.86(10) . . ?
C13M Si13 C13A 105.90(12) . . ?
C13M Si13 C13G 110.16(12) . . ?
C13A Si13 C13G 104.02(10) . . ?
C13M Si13 Si1 108.94(8) . . ?
C13A Si13 Si1 115.03(9) . . ?
C13G Si13 Si1 112.50(8) . . ?
C21B Si21 C21A 105.57(14) . . ?
C21B Si21 C21C 106.18(13) . . ?
C21A Si21 C21C 108.79(13) . . ?
C21B Si21 Si2 108.48(10) . . ?
C21A Si21 Si2 112.46(9) . . ?
C21C Si21 Si2 114.77(10) . . ?
C22B Si22 C22C 109.73(14) . . ?
C22B Si22 C22A 104.88(14) . . ?
C22C Si22 C22A 106.25(12) . . ?
C22B Si22 Si2 109.88(10) . . ?
C22C Si22 Si2 113.58(10) . . ?
C22A Si22 Si2 112.11(9) . . ?
C2M Si23 C23G 107.47(11) . . ?
C2M Si23 C23A 105.51(11) . . ?
C23G Si23 C23A 104.72(11) . . ?
C2M Si23 Si2 111.25(8) . . ?
C23G Si23 Si2 115.68(8) . . ?
C23A Si23 Si2 111.52(7) . . ?
C23N C2M C23R 117.0(2) . . ?
C23N C2M Si23 122.26(18) . . ?
C23R C2M Si23 120.71(18) . . ?
O1 C2 C3 109.5(3) . . ?
O4 C3 C2 111.5(4) . . ?
O4 C5 C6 109.4(3) . . ?
O7 C6 C5 109.1(3) . . ?
O7 C8 C9 110.1(3) . . ?
O10 C9 C8 110.0(3) . . ?
O10 C11 C12 110.0(3) . . ?
O13 C12 C11 109.0(3) . . ?
C13K C13G C13H 116.9(2) . . ?
C13K C13G Si13 125.29(18) . . ?
C13H C13G Si13 117.83(19) . . ?
C13G C13H C13I 121.7(3) . . ?
C13J C13I C13H 119.9(3) . . ?
C13J C13L C13K 119.8(3) . . ?
C13A C13F C13E 121.3(3) . . ?
C13R C13M C13N 116.4(3) . . ?
C13R C13M Si13 120.4(2) . . ?
C13N C13M Si13 123.1(2) . . ?
C13I C13J C13L 119.8(2) . . ?
C13P C13O C13N 119.9(4) . . ?
C13O C13N C13M 122.1(3) . . ?
C13C C13B C13A 122.1(3) . . ?
C13O C13P C13Q 120.1(3) . . ?
C13M C13R C13Q 121.2(3) . . ?
C13F C13A C13B 117.1(2) . . ?
C13F C13A Si13 123.84(19) . . ?
C13B C13A Si13 119.0(2) . . ?
C13D C13C C13B 119.6(3) . . ?
C13G C13K C13L 121.9(2) . . ?
C13C C13D C13E 119.7(3) . . ?
C13D C13E C13F 120.1(3) . . ?
C13P C13Q C13R 120.2(3) . . ?
O13 C14 C15 109.7(3) . . ?
O16 C15 C14 109.1(3) . . ?
O16 C17 C18 108.9(3) . . ?
O1 C18 C17 108.0(3) . . ?
C23F C23A C23B 116.5(2) . . ?
C23F C23A Si23 121.2(2) . . ?
C23B C23A Si23 122.3(2) . . ?
C23L C23G C23H 116.3(2) . . ?
C23L C23G Si23 121.64(19) . . ?
C23H C23G Si23 121.9(2) . . ?
C23O C23N C2M 121.3(2) . . ?
C23Q C23R C2M 121.5(2) . . ?
C23Q C23P C23O 119.4(3) . . ?
C23G C23L C23K 122.5(3) . . ?
C23J C23K C23L 119.6(3) . . ?
C23I C23H C23G 121.9(3) . . ?
C23P C23Q C23R 120.4(2) . . ?
C23J C23I C23H 120.1(3) . . ?
C23C C23B C23A 121.3(3) . . ?
C23P C23O C23N 120.4(2) . . ?
C23K C23J C23I 119.6(3) . . ?
C23E C23F C23A 121.9(3) . . ?
C23D C23C C23B 119.9(3) . . ?
C23E C23D C23C 119.8(3) . . ?
C23D C23E C23F 120.5(4) . . ?
C18 O1 C2 112.8(3) . . ?
C18 O1 K1 109.88(19) . . ?
C2 O1 K1 107.14(19) . . ?
C3 O4 C5 112.6(3) . . ?
C3 O4 K1 114.1(2) . . ?
C5 O4 K1 122.7(2) . . ?
C6 O7 C8 112.2(3) . . ?
C6 O7 K1 113.64(19) . . ?
C8 O7 K1 111.59(19) . . ?
C9 O10 C11 111.2(3) . . ?
C9 O10 K1 123.0(2) . . ?
C11 O10 K1 118.04(18) . . ?
C12 O13 C14 112.5(3) . . ?
C12 O13 K1 108.2(2) . . ?
C14 O13 K1 111.98(19) . . ?
C15 O16 C17 113.1(3) . . ?
C15 O16 K1 119.69(19) . . ?
C17 O16 K1 117.46(19) . . ?

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        27.45
_diffrn_measured_fraction_theta_full 0.979
_refine_diff_density_max         1.463
_refine_diff_density_min         -0.615
_refine_diff_density_rms         0.069
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_chemical_properties_physical    'Air-sensitive, Moisture-sensitive'
_database_code_depnum_ccdc_archive 'CCDC 1014874'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_tgph3mon_2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H42 Si5'
_chemical_formula_sum            'C27 H42 Si5'
_chemical_formula_weight         507.06

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   16.8986(6)
_cell_length_b                   9.8453(3)
_cell_length_c                   36.7537(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.4960(10)
_cell_angle_gamma                90.00
_cell_volume                     6112.7(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    3249
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      25.00

_exptl_crystal_description       colourless
_exptl_crystal_colour            plate
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2192
_exptl_absorpt_coefficient_mu    0.247
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.97383
_exptl_absorpt_correction_T_max  0.99160
_exptl_absorpt_process_details   'SADABS 2.10 (Bruker AXS Inc., 2005)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17794
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_av_sigmaI/netI    0.0813
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.22
_diffrn_reflns_theta_max         24.78
_reflns_number_total             5251
_reflns_number_gt                3659
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 v.2014.1-1 (Bruker AXS Inc., 2014)'
_computing_cell_refinement       'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT V.8.27 (Bruker AXS Inc., 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'SHELXTL 5.1 (Bruker AXS Inc., 1997)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0335P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5251
_refine_ls_number_parameters     289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0419
_refine_ls_wR_factor_ref         0.0885
_refine_ls_wR_factor_gt          0.0824
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_restrained_S_all      0.932
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si2 Si 0.38233(4) 0.09426(6) 0.410355(17) 0.01869(18) Uani 1 1 d . . .
Si1 Si 0.34348(4) 0.06575(6) 0.347932(17) 0.01952(18) Uani 1 1 d . . .
Si3 Si 0.41574(5) -0.11223(7) 0.320939(18) 0.0252(2) Uani 1 1 d . . .
Si4 Si 0.36479(5) 0.26263(7) 0.312552(19) 0.0269(2) Uani 1 1 d . . .
Si5 Si 0.20795(5) 0.00632(7) 0.342528(19) 0.0258(2) Uani 1 1 d . . .
C22A C 0.30444(14) 0.0188(2) 0.43981(6) 0.0173(6) Uani 1 1 d . . .
C23A C 0.47930(15) 0.0107(2) 0.42244(6) 0.0194(6) Uani 1 1 d . . .
C21F C 0.46475(16) 0.3311(2) 0.43810(7) 0.0255(6) Uani 1 1 d . . .
H21A H 0.5065 0.2705 0.4446 0.031 Uiso 1 1 calc R . .
C21A C 0.39552(15) 0.2794(2) 0.42190(6) 0.0185(6) Uani 1 1 d . . .
C22E C 0.20251(16) 0.0348(2) 0.48500(6) 0.0256(6) Uani 1 1 d . . .
H22A H 0.1745 0.0878 0.5020 0.031 Uiso 1 1 calc R . .
C23B C 0.48953(16) -0.0704(2) 0.45330(7) 0.0264(6) Uani 1 1 d . . .
H23A H 0.4455 -0.0897 0.4680 0.032 Uiso 1 1 calc R . .
C22F C 0.26216(15) 0.0923(2) 0.46536(6) 0.0216(6) Uani 1 1 d . . .
H22B H 0.2750 0.1852 0.4693 0.026 Uiso 1 1 calc R . .
C23D C 0.62766(18) -0.0957(3) 0.44221(8) 0.0381(8) Uani 1 1 d . . .
H23B H 0.6781 -0.1318 0.4490 0.046 Uiso 1 1 calc R . .
C22C C 0.22458(16) -0.1772(2) 0.45525(7) 0.0278(7) Uani 1 1 d . . .
H22C H 0.2120 -0.2705 0.4518 0.033 Uiso 1 1 calc R . .
C21D C 0.41425(17) 0.5582(2) 0.43574(6) 0.0255(6) Uani 1 1 d . . .
H21B H 0.4210 0.6527 0.4400 0.031 Uiso 1 1 calc R . .
C22D C 0.18348(16) -0.1010(2) 0.47984(7) 0.0274(7) Uani 1 1 d . . .
H22D H 0.1422 -0.1413 0.4932 0.033 Uiso 1 1 calc R . .
C23C C 0.56360(18) -0.1236(3) 0.46287(7) 0.0352(7) Uani 1 1 d . . .
H23C H 0.5696 -0.1795 0.4838 0.042 Uiso 1 1 calc R . .
C21C C 0.34459(16) 0.5106(2) 0.42033(6) 0.0243(6) Uani 1 1 d . . .
H21C H 0.3028 0.5719 0.4144 0.029 Uiso 1 1 calc R . .
C52 C 0.17107(17) 0.0496(3) 0.29523(7) 0.0368(7) Uani 1 1 d . . .
H52A H 0.1149 0.0256 0.2926 0.055 Uiso 1 1 calc R . .
H52B H 0.2015 -0.0014 0.2775 0.055 Uiso 1 1 calc R . .
H52C H 0.1776 0.1472 0.2910 0.055 Uiso 1 1 calc R . .
C23F C 0.54543(16) 0.0378(2) 0.40205(7) 0.0261(6) Uani 1 1 d . . .
H23D H 0.5400 0.0939 0.3811 0.031 Uiso 1 1 calc R . .
C22B C 0.28426(15) -0.1182(2) 0.43559(6) 0.0235(6) Uani 1 1 d . . .
H22E H 0.3123 -0.1721 0.4188 0.028 Uiso 1 1 calc R . .
C21E C 0.47418(17) 0.4692(2) 0.44491(7) 0.0294(7) Uani 1 1 d . . .
H21D H 0.5220 0.5020 0.4559 0.035 Uiso 1 1 calc R . .
C51 C 0.19056(16) -0.1802(2) 0.34970(7) 0.0365(7) Uani 1 1 d . . .
H51A H 0.1338 -0.1995 0.3472 0.055 Uiso 1 1 calc R . .
H51B H 0.2097 -0.2060 0.3741 0.055 Uiso 1 1 calc R . .
H51C H 0.2191 -0.2322 0.3315 0.055 Uiso 1 1 calc R . .
C41 C 0.28634(17) 0.3969(2) 0.31674(7) 0.0365(8) Uani 1 1 d . . .
H41A H 0.2994 0.4748 0.3014 0.055 Uiso 1 1 calc R . .
H41B H 0.2839 0.4264 0.3422 0.055 Uiso 1 1 calc R . .
H41C H 0.2349 0.3596 0.3088 0.055 Uiso 1 1 calc R . .
C21B C 0.33546(15) 0.3725(2) 0.41342(6) 0.0200(6) Uani 1 1 d . . .
H21E H 0.2872 0.3407 0.4027 0.024 Uiso 1 1 calc R . .
C33 C 0.51738(17) -0.0617(3) 0.30693(7) 0.0393(8) Uani 1 1 d . . .
H33A H 0.5438 -0.1399 0.2961 0.059 Uiso 1 1 calc R . .
H33B H 0.5482 -0.0308 0.3283 0.059 Uiso 1 1 calc R . .
H33C H 0.5134 0.0121 0.2891 0.059 Uiso 1 1 calc R . .
C23E C 0.61938(17) -0.0151(3) 0.41147(7) 0.0335(7) Uani 1 1 d . . .
H23E H 0.6638 0.0039 0.3970 0.040 Uiso 1 1 calc R . .
C32 C 0.36035(17) -0.1737(3) 0.27913(7) 0.0391(8) Uani 1 1 d . . .
H32A H 0.3901 -0.2475 0.2679 0.059 Uiso 1 1 calc R . .
H32B H 0.3539 -0.0987 0.2618 0.059 Uiso 1 1 calc R . .
H32C H 0.3081 -0.2072 0.2859 0.059 Uiso 1 1 calc R . .
C31 C 0.42656(17) -0.2589(2) 0.35292(7) 0.0366(8) Uani 1 1 d . . .
H31A H 0.4566 -0.3315 0.3413 0.055 Uiso 1 1 calc R . .
H31B H 0.3740 -0.2929 0.3590 0.055 Uiso 1 1 calc R . .
H31C H 0.4548 -0.2294 0.3752 0.055 Uiso 1 1 calc R . .
C53 C 0.14606(17) 0.1037(3) 0.37496(7) 0.0397(8) Uani 1 1 d . . .
H53A H 0.0906 0.0762 0.3719 0.059 Uiso 1 1 calc R . .
H53B H 0.1509 0.2011 0.3700 0.059 Uiso 1 1 calc R . .
H53C H 0.1643 0.0848 0.4000 0.059 Uiso 1 1 calc R . .
C43 C 0.36674(18) 0.2118(3) 0.26330(7) 0.0402(8) Uani 1 1 d . . .
H43A H 0.3756 0.2924 0.2483 0.060 Uiso 1 1 calc R . .
H43B H 0.3160 0.1701 0.2561 0.060 Uiso 1 1 calc R . .
H43C H 0.4096 0.1465 0.2598 0.060 Uiso 1 1 calc R . .
C42 C 0.46218(17) 0.3403(3) 0.32471(8) 0.0415(8) Uani 1 1 d . . .
H42A H 0.4700 0.4215 0.3098 0.062 Uiso 1 1 calc R . .
H42B H 0.5045 0.2747 0.3202 0.062 Uiso 1 1 calc R . .
H42C H 0.4634 0.3655 0.3505 0.062 Uiso 1 1 calc R . .


_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
Si2 C23A 1.876(3) . ?
Si2 C22A 1.879(2) . ?
Si2 C21A 1.883(2) . ?
Si2 Si1 2.3864(9) . ?
Si1 Si4 2.3669(9) . ?
Si1 Si5 2.3671(11) . ?
Si1 Si3 2.3684(10) . ?
Si3 C31 1.868(2) . ?
Si3 C33 1.873(3) . ?
Si3 C32 1.878(2) . ?
Si4 C42 1.858(3) . ?
Si4 C43 1.879(3) . ?
Si4 C41 1.882(3) . ?
Si5 C53 1.870(3) . ?
Si5 C51 1.879(3) . ?
Si5 C52 1.880(3) . ?
C22A C22F 1.397(3) . ?
C22A C22B 1.398(3) . ?
C23A C23F 1.388(3) . ?
C23A C23B 1.394(3) . ?
C21F C21E 1.391(3) . ?
C21F C21A 1.395(3) . ?
C21A C21B 1.397(3) . ?
C22E C22F 1.377(3) . ?
C22E C22D 1.387(3) . ?
C23B C23C 1.393(3) . ?
C23D C23C 1.366(4) . ?
C23D C23E 1.385(4) . ?
C22C C22D 1.376(3) . ?
C22C C22B 1.384(3) . ?
C21D C21E 1.374(3) . ?
C21D C21C 1.375(3) . ?
C21C C21B 1.392(3) . ?
C23F C23E 1.389(3) . ?

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
C23A Si2 C22A 108.10(11) . . ?
C23A Si2 C21A 105.86(11) . . ?
C22A Si2 C21A 109.48(11) . . ?
C23A Si2 Si1 113.12(8) . . ?
C22A Si2 Si1 109.15(7) . . ?
C21A Si2 Si1 111.01(7) . . ?
Si4 Si1 Si5 108.49(4) . . ?
Si4 Si1 Si3 106.75(4) . . ?
Si5 Si1 Si3 106.87(4) . . ?
Si4 Si1 Si2 112.95(3) . . ?
Si5 Si1 Si2 110.55(4) . . ?
Si3 Si1 Si2 110.97(4) . . ?
C31 Si3 C33 107.63(12) . . ?
C31 Si3 C32 107.69(12) . . ?
C33 Si3 C32 107.55(12) . . ?
C31 Si3 Si1 110.59(9) . . ?
C33 Si3 Si1 113.90(9) . . ?
C32 Si3 Si1 109.26(9) . . ?
C42 Si4 C43 107.66(13) . . ?
C42 Si4 C41 108.22(13) . . ?
C43 Si4 C41 107.20(12) . . ?
C42 Si4 Si1 110.57(9) . . ?
C43 Si4 Si1 108.55(9) . . ?
C41 Si4 Si1 114.39(9) . . ?
C53 Si5 C51 108.62(13) . . ?
C53 Si5 C52 107.19(13) . . ?
C51 Si5 C52 107.58(11) . . ?
C53 Si5 Si1 112.07(9) . . ?
C51 Si5 Si1 112.60(9) . . ?
C52 Si5 Si1 108.55(10) . . ?
C22F C22A C22B 116.5(2) . . ?
C22F C22A Si2 124.07(18) . . ?
C22B C22A Si2 119.34(18) . . ?
C23F C23A C23B 117.7(2) . . ?
C23F C23A Si2 119.91(18) . . ?
C23B C23A Si2 122.2(2) . . ?
C21E C21F C21A 121.6(2) . . ?
C21F C21A C21B 116.9(2) . . ?
C21F C21A Si2 122.86(19) . . ?
C21B C21A Si2 120.25(18) . . ?
C22F C22E C22D 119.7(2) . . ?
C23C C23B C23A 120.8(3) . . ?
C22E C22F C22A 122.2(2) . . ?
C23C C23D C23E 120.3(3) . . ?
C22D C22C C22B 120.1(2) . . ?
C21E C21D C21C 120.1(2) . . ?
C22C C22D C22E 119.7(2) . . ?
C23D C23C C23B 120.3(3) . . ?
C21D C21C C21B 119.8(2) . . ?
C23A C23F C23E 121.7(2) . . ?
C22C C22B C22A 121.7(2) . . ?
C21D C21E C21F 119.9(2) . . ?
C21C C21B C21A 121.6(2) . . ?
C23D C23E C23F 119.3(3) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        24.78
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.498
_refine_diff_density_min         -0.256
_refine_diff_density_rms         0.054
_database_code_depnum_ccdc_archive 'CCDC 1014875'
