# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Dimitry820b
_database_code_depnum_ccdc_archive 'CCDC 2096073'
loop_
_audit_author_name
_audit_author_address
'Natalia Fridman'
;Technion
Israel
;
_audit_update_record             
;
2021-07-13 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            'Dimitry820b (Roman)'
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H73 Li O5 Si2 Sn'
_chemical_formula_sum            'C37 H73 Li O5 Si2 Sn'
_chemical_formula_weight         779.76

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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   20.164(6)
_cell_length_b                   11.224(4)
_cell_length_c                   20.735(6)
_cell_angle_alpha                90
_cell_angle_beta                 117.180(7)
_cell_angle_gamma                90
_cell_volume                     4175(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    6523
_cell_measurement_theta_min      2.124
_cell_measurement_theta_max      24.174

_exptl_crystal_description       plate
_exptl_crystal_colour            violet
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_F_000             1664
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    0.706
_shelx_estimated_absorpt_T_min   0.883
_shelx_estimated_absorpt_T_max   0.939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'APEX2 (Bruker AXS)'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 95
_diffrn_reflns_number            26228
_diffrn_reflns_av_unetI/netI     0.1158
_diffrn_reflns_av_R_equivalents  0.1127
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.124
_diffrn_reflns_theta_max         24.174
_diffrn_reflns_theta_full        24.174
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             6523
_reflns_number_gt                3970
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker Instrument Service v2010.7.0.0'
_computing_cell_refinement       'APEX2 v2010.7-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0322P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6523
_refine_ls_number_parameters     429
_refine_ls_number_restraints     416
_refine_ls_R_factor_all          0.1067
_refine_ls_R_factor_gt           0.0453
_refine_ls_wR_factor_ref         0.1025
_refine_ls_wR_factor_gt          0.0820
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_restrained_S_all      0.949
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.77435(2) 0.37545(4) 0.54129(2) 0.02560(12) Uani 1 1 d . U . . .
Si1 Si 0.76202(7) 0.59612(14) 0.48716(8) 0.0298(4) Uani 1 1 d . U . . .
Si2 Si 0.65809(7) 0.31179(15) 0.56255(8) 0.0292(4) Uani 1 1 d . U . . .
O1 O 0.66252(17) 0.2970(3) 0.38208(18) 0.0343(10) Uani 1 1 d . U . . .
O2 O 0.48001(18) 0.3638(4) 0.2717(2) 0.0479(11) Uani 1 1 d . U . . .
O3 O 0.5089(2) 0.1340(4) 0.3125(2) 0.0582(12) Uani 1 1 d . U . . .
O4 O 0.58135(19) 0.1148(4) 0.2305(2) 0.0529(11) Uani 1 1 d . U . . .
O5 O 0.55087(18) 0.3454(4) 0.1886(2) 0.0448(11) Uani 1 1 d . U . . .
C1 C 0.8360(3) 0.6943(5) 0.5623(3) 0.0415(15) Uani 1 1 d . U . . .
C2 C 0.8277(4) 0.6910(6) 0.6321(3) 0.068(2) Uani 1 1 d . U . . .
H2A H 0.7796 0.7258 0.6229 0.102 Uiso 1 1 calc R U . . .
H2B H 0.8681 0.7368 0.6699 0.102 Uiso 1 1 calc R U . . .
H2C H 0.8299 0.6082 0.6480 0.102 Uiso 1 1 calc R U . . .
C3 C 0.8348(4) 0.8240(6) 0.5409(4) 0.074(2) Uani 1 1 d . U . . .
H3A H 0.8367 0.8285 0.4946 0.112 Uiso 1 1 calc R U . . .
H3B H 0.8781 0.8654 0.5783 0.112 Uiso 1 1 calc R U . . .
H3C H 0.7889 0.8618 0.5360 0.112 Uiso 1 1 calc R U . . .
C4 C 0.9128(3) 0.6427(6) 0.5806(4) 0.070(2) Uani 1 1 d . U . . .
H4A H 0.9140 0.5581 0.5928 0.105 Uiso 1 1 calc R U . . .
H4B H 0.9510 0.6856 0.6221 0.105 Uiso 1 1 calc R U . . .
H4C H 0.9226 0.6514 0.5387 0.105 Uiso 1 1 calc R U . . .
C5 C 0.6660(3) 0.6737(5) 0.4367(3) 0.0389(15) Uani 1 1 d . U . . .
C6 C 0.6326(3) 0.7052(6) 0.4869(3) 0.0522(18) Uani 1 1 d . U . . .
H6A H 0.6277 0.6328 0.5109 0.078 Uiso 1 1 calc R U . . .
H6B H 0.5833 0.7410 0.4587 0.078 Uiso 1 1 calc R U . . .
H6C H 0.6651 0.7620 0.5235 0.078 Uiso 1 1 calc R U . . .
C7 C 0.6127(3) 0.5825(5) 0.3808(3) 0.059(2) Uani 1 1 d . U . . .
H7A H 0.6307 0.5639 0.3454 0.089 Uiso 1 1 calc R U . . .
H7B H 0.5625 0.6166 0.3558 0.089 Uiso 1 1 calc R U . . .
H7C H 0.6112 0.5094 0.4060 0.089 Uiso 1 1 calc R U . . .
C8 C 0.6664(3) 0.7852(5) 0.3938(3) 0.0575(19) Uani 1 1 d . U . . .
H8A H 0.6951 0.8485 0.4276 0.086 Uiso 1 1 calc R U . . .
H8B H 0.6151 0.8123 0.3640 0.086 Uiso 1 1 calc R U . . .
H8C H 0.6893 0.7658 0.3623 0.086 Uiso 1 1 calc R U . . .
C9 C 0.7964(3) 0.5880(5) 0.4161(3) 0.0481(17) Uani 1 1 d . U . . .
H9A H 0.8438 0.5447 0.4358 0.072 Uiso 1 1 calc R U . . .
H9B H 0.8037 0.6689 0.4026 0.072 Uiso 1 1 calc R U . . .
H9C H 0.7594 0.5463 0.3732 0.072 Uiso 1 1 calc R U . . .
C10 C 0.6707(3) 0.3793(6) 0.6535(3) 0.0372(14) Uani 1 1 d . U . . .
C11 C 0.7414(3) 0.3332(7) 0.7180(3) 0.090(3) Uani 1 1 d . U . . .
H11A H 0.7484 0.3750 0.7622 0.135 Uiso 1 1 calc R U . . .
H11B H 0.7845 0.3477 0.7092 0.135 Uiso 1 1 calc R U . . .
H11C H 0.7365 0.2476 0.7238 0.135 Uiso 1 1 calc R U . . .
C12 C 0.6038(3) 0.3577(7) 0.6678(3) 0.065(2) Uani 1 1 d . U . . .
H12A H 0.6096 0.4044 0.7100 0.097 Uiso 1 1 calc R U . . .
H12B H 0.6009 0.2729 0.6773 0.097 Uiso 1 1 calc R U . . .
H12C H 0.5581 0.3821 0.6253 0.097 Uiso 1 1 calc R U . . .
C13 C 0.6785(4) 0.5142(6) 0.6496(4) 0.082(2) Uani 1 1 d . U . . .
H13A H 0.6297 0.5489 0.6179 0.123 Uiso 1 1 calc R U . . .
H13B H 0.7135 0.5319 0.6302 0.123 Uiso 1 1 calc R U . . .
H13C H 0.6972 0.5483 0.6983 0.123 Uiso 1 1 calc R U . . .
C14 C 0.6553(3) 0.1389(5) 0.5642(3) 0.0344(13) Uani 1 1 d . U . . .
C15 C 0.6037(4) 0.0880(7) 0.5940(5) 0.101(3) Uani 1 1 d . U . . .
H15A H 0.6220 0.1122 0.6447 0.151 Uiso 1 1 calc R U . . .
H15B H 0.6032 0.0009 0.5910 0.151 Uiso 1 1 calc R U . . .
H15C H 0.5530 0.1186 0.5652 0.151 Uiso 1 1 calc R U . . .
C16 C 0.7321(3) 0.0840(6) 0.6089(4) 0.077(2) Uani 1 1 d . U . . .
H16A H 0.7657 0.1088 0.5890 0.115 Uiso 1 1 calc R U . . .
H16B H 0.7279 -0.0030 0.6072 0.115 Uiso 1 1 calc R U . . .
H16C H 0.7522 0.1110 0.6593 0.115 Uiso 1 1 calc R U . . .
C17 C 0.6278(4) 0.0913(5) 0.4878(3) 0.063(2) Uani 1 1 d . U . . .
H17A H 0.5776 0.1220 0.4570 0.095 Uiso 1 1 calc R U . . .
H17B H 0.6264 0.0041 0.4886 0.095 Uiso 1 1 calc R U . . .
H17C H 0.6615 0.1172 0.4683 0.095 Uiso 1 1 calc R U . . .
C18 C 0.5618(2) 0.3596(5) 0.4926(3) 0.0401(15) Uani 1 1 d . U . . .
H18A H 0.5562 0.4457 0.4965 0.060 Uiso 1 1 calc R U . . .
H18B H 0.5241 0.3173 0.5012 0.060 Uiso 1 1 calc R U . . .
H18C H 0.5555 0.3407 0.4440 0.060 Uiso 1 1 calc R U . . .
C19 C 0.7294(3) 0.2971(5) 0.4258(3) 0.0254(12) Uani 1 1 d . U . . .
C20 C 0.7823(2) 0.2337(5) 0.4009(3) 0.0254(12) Uani 1 1 d . U . . .
C21 C 0.8650(2) 0.2577(5) 0.4487(3) 0.0352(15) Uani 1 1 d . U . . .
H21A H 0.8786 0.2350 0.4994 0.042 Uiso 1 1 calc R U . . .
H21B H 0.8751 0.3438 0.4478 0.042 Uiso 1 1 calc R U . . .
C22 C 0.9125(3) 0.1860(6) 0.4216(3) 0.0438(16) Uani 1 1 d . U . . .
H22 H 0.9665 0.2030 0.4533 0.053 Uiso 1 1 calc R U . . .
C23 C 0.8980(3) 0.0530(6) 0.4246(3) 0.0500(17) Uani 1 1 d . U . . .
H23A H 0.9288 0.0064 0.4078 0.060 Uiso 1 1 calc R U . . .
H23B H 0.9117 0.0293 0.4751 0.060 Uiso 1 1 calc R U . . .
C24 C 0.8159(3) 0.0271(5) 0.3764(3) 0.0424(15) Uani 1 1 d . U . . .
H24 H 0.8064 -0.0599 0.3785 0.051 Uiso 1 1 calc R U . . .
C25 C 0.7693(3) 0.0980(5) 0.4037(3) 0.0331(14) Uani 1 1 d . U . . .
H25A H 0.7828 0.0743 0.4542 0.040 Uiso 1 1 calc R U . . .
H25B H 0.7158 0.0798 0.3733 0.040 Uiso 1 1 calc R U . . .
C26 C 0.8920(3) 0.2221(6) 0.3435(3) 0.0514(17) Uani 1 1 d . U . . .
H26A H 0.9230 0.1774 0.3261 0.062 Uiso 1 1 calc R U . . .
H26B H 0.9013 0.3083 0.3413 0.062 Uiso 1 1 calc R U . . .
C27 C 0.8088(3) 0.1941(6) 0.2956(3) 0.0460(16) Uani 1 1 d . U . . .
H27 H 0.7948 0.2168 0.2443 0.055 Uiso 1 1 calc R U . . .
C28 C 0.7950(3) 0.0617(6) 0.2989(3) 0.0505(17) Uani 1 1 d . U . . .
H28A H 0.7418 0.0434 0.2674 0.061 Uiso 1 1 calc R U . . .
H28B H 0.8253 0.0155 0.2812 0.061 Uiso 1 1 calc R U . . .
C29 C 0.7624(3) 0.2665(5) 0.3224(3) 0.0399(15) Uani 1 1 d . U . . .
H29A H 0.7088 0.2509 0.2910 0.048 Uiso 1 1 calc R U . . .
H29B H 0.7716 0.3525 0.3195 0.048 Uiso 1 1 calc R U . . .
C30 C 0.4182(3) 0.2916(6) 0.2590(3) 0.0536(18) Uani 1 1 d . U . . .
H30A H 0.3960 0.2587 0.2092 0.064 Uiso 1 1 calc R U . . .
H30B H 0.3796 0.3383 0.2649 0.064 Uiso 1 1 calc R U . . .
C31 C 0.4474(3) 0.1920(7) 0.3146(3) 0.0605(19) Uani 1 1 d . U . . .
H31A H 0.4630 0.2252 0.3637 0.073 Uiso 1 1 calc R U . . .
H31B H 0.4072 0.1334 0.3046 0.073 Uiso 1 1 calc R U . . .
C32 C 0.4879(3) 0.0372(6) 0.2628(4) 0.065(2) Uani 1 1 d . U . . .
H32A H 0.4454 0.0597 0.2160 0.078 Uiso 1 1 calc R U . . .
H32B H 0.4735 -0.0329 0.2825 0.078 Uiso 1 1 calc R U . . .
C33 C 0.5558(3) 0.0105(6) 0.2532(4) 0.064(2) Uani 1 1 d . U . . .
H33A H 0.5961 -0.0189 0.2996 0.077 Uiso 1 1 calc R U . . .
H33B H 0.5439 -0.0531 0.2165 0.077 Uiso 1 1 calc R U . . .
C34 C 0.5441(3) 0.1369(6) 0.1557(3) 0.0555(17) Uani 1 1 d . U . . .
H34A H 0.4895 0.1314 0.1376 0.067 Uiso 1 1 calc R U . . .
H34B H 0.5592 0.0782 0.1292 0.067 Uiso 1 1 calc R U . . .
C35 C 0.5656(3) 0.2597(6) 0.1450(3) 0.0503(17) Uani 1 1 d . U . . .
H35A H 0.6193 0.2611 0.1581 0.060 Uiso 1 1 calc R U . . .
H35B H 0.5373 0.2819 0.0933 0.060 Uiso 1 1 calc R U . . .
C36 C 0.4759(3) 0.3871(6) 0.1551(3) 0.0496(16) Uani 1 1 d . U . . .
H36A H 0.4408 0.3200 0.1337 0.060 Uiso 1 1 calc R U . . .
H36B H 0.4682 0.4450 0.1163 0.060 Uiso 1 1 calc R U . . .
C37 C 0.4642(3) 0.4457(6) 0.2142(3) 0.0533(17) Uani 1 1 d . U . . .
H37A H 0.4972 0.5160 0.2327 0.064 Uiso 1 1 calc R U . . .
H37B H 0.4119 0.4733 0.1945 0.064 Uiso 1 1 calc R U . . .
Li1 Li 0.5745(5) 0.2605(9) 0.2964(5) 0.042(2) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 C19 2.312(5) . ?
Sn1 Si2 2.6731(17) . ?
Sn1 Si1 2.6836(18) . ?
Si1 C9 1.895(6) . ?
Si1 C1 1.935(6) . ?
Si1 C5 1.937(5) . ?
Si2 C18 1.894(4) . ?
Si2 C10 1.939(6) . ?
Si2 C14 1.942(6) . ?
O1 C19 1.235(5) . ?
O1 Li1 1.895(9) . ?
O2 C30 1.407(7) . ?
O2 C37 1.422(7) . ?
O2 Li1 2.085(10) . ?
O3 C31 1.419(7) . ?
O3 C32 1.422(7) . ?
O3 Li1 2.070(11) . ?
O4 C34 1.403(6) . ?
O4 C33 1.442(7) . ?
O4 Li1 2.176(11) . ?
O5 C36 1.423(6) . ?
O5 C35 1.440(7) . ?
O5 Li1 2.270(11) . ?
C1 C3 1.519(8) . ?
C1 C4 1.530(8) . ?
C1 C2 1.530(8) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.518(8) . ?
C5 C8 1.538(8) . ?
C5 C7 1.552(7) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C12 1.527(7) . ?
C10 C13 1.528(9) . ?
C10 C11 1.532(7) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C17 1.518(8) . ?
C14 C16 1.525(7) . ?
C14 C15 1.542(8) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.553(7) . ?
C20 C21 1.525(6) . ?
C20 C29 1.533(7) . ?
C20 C25 1.550(7) . ?
C21 C22 1.541(7) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.528(8) . ?
C22 C26 1.531(8) . ?
C22 H22 1.0000 . ?
C23 C24 1.519(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C28 1.515(8) . ?
C24 C25 1.525(7) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.543(7) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.518(8) . ?
C27 C29 1.524(7) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.519(8) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.502(8) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.491(8) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.502(8) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C19 Sn1 Si2 96.35(12) . . ?
C19 Sn1 Si1 90.02(13) . . ?
Si2 Sn1 Si1 113.27(5) . . ?
C9 Si1 C1 103.4(3) . . ?
C9 Si1 C5 103.4(3) . . ?
C1 Si1 C5 113.1(3) . . ?
C9 Si1 Sn1 106.50(19) . . ?
C1 Si1 Sn1 107.37(19) . . ?
C5 Si1 Sn1 121.30(19) . . ?
C18 Si2 C10 105.5(2) . . ?
C18 Si2 C14 105.6(2) . . ?
C10 Si2 C14 111.4(3) . . ?
C18 Si2 Sn1 117.84(19) . . ?
C10 Si2 Sn1 108.70(17) . . ?
C14 Si2 Sn1 107.72(17) . . ?
C19 O1 Li1 158.4(5) . . ?
C30 O2 C37 112.0(4) . . ?
C30 O2 Li1 111.0(4) . . ?
C37 O2 Li1 113.2(5) . . ?
C31 O3 C32 113.4(4) . . ?
C31 O3 Li1 108.8(5) . . ?
C32 O3 Li1 114.1(5) . . ?
C34 O4 C33 114.5(5) . . ?
C34 O4 Li1 113.9(4) . . ?
C33 O4 Li1 105.7(5) . . ?
C36 O5 C35 113.0(4) . . ?
C36 O5 Li1 108.5(4) . . ?
C35 O5 Li1 109.1(4) . . ?
C3 C1 C4 108.3(5) . . ?
C3 C1 C2 107.8(6) . . ?
C4 C1 C2 107.0(5) . . ?
C3 C1 Si1 114.0(4) . . ?
C4 C1 Si1 107.7(4) . . ?
C2 C1 Si1 111.7(4) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C8 109.2(5) . . ?
C6 C5 C7 107.0(5) . . ?
C8 C5 C7 106.8(5) . . ?
C6 C5 Si1 112.5(4) . . ?
C8 C5 Si1 114.2(4) . . ?
C7 C5 Si1 106.7(4) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C12 C10 C13 106.8(5) . . ?
C12 C10 C11 109.3(5) . . ?
C13 C10 C11 107.7(5) . . ?
C12 C10 Si2 113.1(4) . . ?
C13 C10 Si2 107.9(4) . . ?
C11 C10 Si2 111.9(4) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C17 C14 C16 106.2(5) . . ?
C17 C14 C15 107.2(5) . . ?
C16 C14 C15 106.9(5) . . ?
C17 C14 Si2 109.4(4) . . ?
C16 C14 Si2 112.7(4) . . ?
C15 C14 Si2 114.0(4) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si2 C18 H18A 109.5 . . ?
Si2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O1 C19 C20 116.1(4) . . ?
O1 C19 Sn1 122.8(4) . . ?
C20 C19 Sn1 121.0(3) . . ?
C21 C20 C29 109.0(5) . . ?
C21 C20 C25 107.6(4) . . ?
C29 C20 C25 108.0(4) . . ?
C21 C20 C19 114.6(4) . . ?
C29 C20 C19 110.9(4) . . ?
C25 C20 C19 106.5(4) . . ?
C20 C21 C22 110.4(4) . . ?
C20 C21 H21A 109.6 . . ?
C22 C21 H21A 109.6 . . ?
C20 C21 H21B 109.6 . . ?
C22 C21 H21B 109.6 . . ?
H21A C21 H21B 108.1 . . ?
C23 C22 C26 109.7(5) . . ?
C23 C22 C21 109.4(5) . . ?
C26 C22 C21 109.6(5) . . ?
C23 C22 H22 109.4 . . ?
C26 C22 H22 109.4 . . ?
C21 C22 H22 109.4 . . ?
C24 C23 C22 109.4(5) . . ?
C24 C23 H23A 109.8 . . ?
C22 C23 H23A 109.8 . . ?
C24 C23 H23B 109.8 . . ?
C22 C23 H23B 109.8 . . ?
H23A C23 H23B 108.2 . . ?
C28 C24 C23 109.9(5) . . ?
C28 C24 C25 109.8(5) . . ?
C23 C24 C25 109.1(5) . . ?
C28 C24 H24 109.3 . . ?
C23 C24 H24 109.3 . . ?
C25 C24 H24 109.3 . . ?
C24 C25 C20 110.8(4) . . ?
C24 C25 H25A 109.5 . . ?
C20 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C22 C26 C27 108.4(5) . . ?
C22 C26 H26A 110.0 . . ?
C27 C26 H26A 110.0 . . ?
C22 C26 H26B 110.0 . . ?
C27 C26 H26B 110.0 . . ?
H26A C26 H26B 108.4 . . ?
C28 C27 C29 110.5(5) . . ?
C28 C27 C26 109.8(5) . . ?
C29 C27 C26 108.9(5) . . ?
C28 C27 H27 109.2 . . ?
C29 C27 H27 109.2 . . ?
C26 C27 H27 109.2 . . ?
C24 C28 C27 109.3(5) . . ?
C24 C28 H28A 109.8 . . ?
C27 C28 H28A 109.8 . . ?
C24 C28 H28B 109.8 . . ?
C27 C28 H28B 109.8 . . ?
H28A C28 H28B 108.3 . . ?
C27 C29 C20 110.7(5) . . ?
C27 C29 H29A 109.5 . . ?
C20 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C20 C29 H29B 109.5 . . ?
H29A C29 H29B 108.1 . . ?
O2 C30 C31 106.2(4) . . ?
O2 C30 H30A 110.5 . . ?
C31 C30 H30A 110.5 . . ?
O2 C30 H30B 110.5 . . ?
C31 C30 H30B 110.5 . . ?
H30A C30 H30B 108.7 . . ?
O3 C31 C30 110.8(5) . . ?
O3 C31 H31A 109.5 . . ?
C30 C31 H31A 109.5 . . ?
O3 C31 H31B 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 108.1 . . ?
O3 C32 C33 105.1(5) . . ?
O3 C32 H32A 110.7 . . ?
C33 C32 H32A 110.7 . . ?
O3 C32 H32B 110.7 . . ?
C33 C32 H32B 110.7 . . ?
H32A C32 H32B 108.8 . . ?
O4 C33 C32 111.4(5) . . ?
O4 C33 H33A 109.3 . . ?
C32 C33 H33A 109.3 . . ?
O4 C33 H33B 109.3 . . ?
C32 C33 H33B 109.3 . . ?
H33A C33 H33B 108.0 . . ?
O4 C34 C35 106.4(5) . . ?
O4 C34 H34A 110.5 . . ?
C35 C34 H34A 110.5 . . ?
O4 C34 H34B 110.5 . . ?
C35 C34 H34B 110.5 . . ?
H34A C34 H34B 108.6 . . ?
O5 C35 C34 111.6(5) . . ?
O5 C35 H35A 109.3 . . ?
C34 C35 H35A 109.3 . . ?
O5 C35 H35B 109.3 . . ?
C34 C35 H35B 109.3 . . ?
H35A C35 H35B 108.0 . . ?
O5 C36 C37 105.9(5) . . ?
O5 C36 H36A 110.6 . . ?
C37 C36 H36A 110.6 . . ?
O5 C36 H36B 110.6 . . ?
C37 C36 H36B 110.6 . . ?
H36A C36 H36B 108.7 . . ?
O2 C37 C36 110.1(5) . . ?
O2 C37 H37A 109.6 . . ?
C36 C37 H37A 109.6 . . ?
O2 C37 H37B 109.6 . . ?
C36 C37 H37B 109.6 . . ?
H37A C37 H37B 108.2 . . ?
O1 Li1 O3 113.0(5) . . ?
O1 Li1 O2 118.0(5) . . ?
O3 Li1 O2 80.9(4) . . ?
O1 Li1 O4 116.8(5) . . ?
O3 Li1 O4 79.3(4) . . ?
O2 Li1 O4 125.2(4) . . ?
O1 Li1 O5 121.2(5) . . ?
O3 Li1 O5 125.7(4) . . ?
O2 Li1 O5 76.6(3) . . ?
O4 Li1 O5 75.1(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Li1 O1 C19 C20 4.9(15) . . . . ?
Li1 O1 C19 Sn1 -171.2(11) . . . . ?
O1 C19 C20 C21 167.7(5) . . . . ?
Sn1 C19 C20 C21 -16.1(6) . . . . ?
O1 C19 C20 C29 43.8(6) . . . . ?
Sn1 C19 C20 C29 -140.0(4) . . . . ?
O1 C19 C20 C25 -73.4(5) . . . . ?
Sn1 C19 C20 C25 102.8(4) . . . . ?
C29 C20 C21 C22 -57.9(6) . . . . ?
C25 C20 C21 C22 58.9(6) . . . . ?
C19 C20 C21 C22 177.2(5) . . . . ?
C20 C21 C22 C23 -60.4(6) . . . . ?
C20 C21 C22 C26 59.9(6) . . . . ?
C26 C22 C23 C24 -60.1(6) . . . . ?
C21 C22 C23 C24 60.1(6) . . . . ?
C22 C23 C24 C28 60.2(7) . . . . ?
C22 C23 C24 C25 -60.3(7) . . . . ?
C28 C24 C25 C20 -59.8(6) . . . . ?
C23 C24 C25 C20 60.7(6) . . . . ?
C21 C20 C25 C24 -59.5(6) . . . . ?
C29 C20 C25 C24 58.0(5) . . . . ?
C19 C20 C25 C24 177.1(4) . . . . ?
C23 C22 C26 C27 59.6(6) . . . . ?
C21 C22 C26 C27 -60.6(7) . . . . ?
C22 C26 C27 C28 -59.9(7) . . . . ?
C22 C26 C27 C29 61.1(7) . . . . ?
C23 C24 C28 C27 -60.5(6) . . . . ?
C25 C24 C28 C27 59.6(6) . . . . ?
C29 C27 C28 C24 -59.7(6) . . . . ?
C26 C27 C28 C24 60.5(6) . . . . ?
C28 C27 C29 C20 59.7(6) . . . . ?
C26 C27 C29 C20 -60.9(7) . . . . ?
C21 C20 C29 C27 59.0(6) . . . . ?
C25 C20 C29 C27 -57.6(6) . . . . ?
C19 C20 C29 C27 -174.0(4) . . . . ?
C37 O2 C30 C31 167.4(5) . . . . ?
Li1 O2 C30 C31 39.8(6) . . . . ?
C32 O3 C31 C30 -89.2(7) . . . . ?
Li1 O3 C31 C30 39.0(6) . . . . ?
O2 C30 C31 O3 -53.0(7) . . . . ?
C31 O3 C32 C33 164.9(5) . . . . ?
Li1 O3 C32 C33 39.5(6) . . . . ?
C34 O4 C33 C32 -83.2(7) . . . . ?
Li1 O4 C33 C32 43.0(6) . . . . ?
O3 C32 C33 O4 -55.4(7) . . . . ?
C33 O4 C34 C35 167.7(5) . . . . ?
Li1 O4 C34 C35 45.9(6) . . . . ?
C36 O5 C35 C34 -84.5(6) . . . . ?
Li1 O5 C35 C34 36.3(6) . . . . ?
O4 C34 C35 O5 -54.4(6) . . . . ?
C35 O5 C36 C37 164.2(5) . . . . ?
Li1 O5 C36 C37 43.1(6) . . . . ?
C30 O2 C37 C36 -84.9(6) . . . . ?
Li1 O2 C37 C36 41.5(6) . . . . ?
O5 C36 C37 O2 -56.6(6) . . . . ?
C19 O1 Li1 O3 104.3(13) . . . . ?
C19 O1 Li1 O2 -164.0(10) . . . . ?
C19 O1 Li1 O4 15.0(16) . . . . ?
C19 O1 Li1 O5 -73.1(15) . . . . ?

_refine_diff_density_max         0.999
_refine_diff_density_min         -0.805
_refine_diff_density_rms         0.095

