# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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 
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data_Sn20R10Cl2
_database_code_depnum_ccdc_archive 'CCDC 1911644'
loop_
_audit_author_name
_audit_author_address
'Andreas Schnepf'
;University Tuebingen
Germany
;
_audit_update_record             
;
2019-04-23 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;
_audit_creation_date             2018-08-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C120 H270 Cl2 Si10 Sn20'
_chemical_formula_sum            'C120 H270 Cl2 Si10 Sn20'
_chemical_formula_weight         4438.94
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   19.176(4)
_cell_length_b                   23.573(5)
_cell_length_c                   20.419(4)
_cell_angle_alpha                90
_cell_angle_beta                 92.820(4)
_cell_angle_gamma                90
_cell_volume                     9219(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9939
_cell_measurement_temperature    150
_cell_measurement_theta_max      23.014
_cell_measurement_theta_min      2.216
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.781
_exptl_absorpt_correction_T_max  0.745372
_exptl_absorpt_correction_T_min  0.644062
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 127261 reflections, Rint = 0.1227
 (28182 with I > 3sig(I), Rint = 0.0615)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4328
_exptl_crystal_size_max          0.108
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.068
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.1393
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            37661
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        24.499
_diffrn_reflns_theta_max         24.499
_diffrn_reflns_theta_min         1.494
_diffrn_ambient_temperature      150.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                23655
_reflns_number_total             37661
_reflns_special_details          
;
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.949
_refine_diff_density_min         -1.306
_refine_diff_density_rms         0.264
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     731
_refine_ls_number_reflns         37661
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.1368
_refine_ls_R_factor_gt           0.0708
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0730P)²+132.6946P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1513
_refine_ls_wR_factor_ref         0.1901
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.5226(10)
 0.4774(10)
2. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(C307) \\sim Ueq, Uanis(C208) \\sim Ueq, Uanis(C506) \\sim Ueq,
Uanis(C206) \\sim Ueq, Uanis(C205) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.04
4.a Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C102(H10A,H10B,H10C), C103(H10D,H10E,H10F), C104(H10G,
 H10H,H10I), C106(H10J,H10K,H10L), C107(H10M,H10N,H10O), C108(H10P,H10Q,H10R),
 C110(H11A,H11B,H11C), C111(H11D,H11E,H11F), C112(H11G,H11H,H11I), C202(H20A,
 H20B,H20C), C203(H20D,H20E,H20F), C204(H20G,H20H,H20I), C206(H20J,H20K,H20L),
 C207(H20M,H20N,H20O), C208(H20P,H20Q,H20R), C210(H21A,H21B,H21C), C211(H21D,
 H21E,H21F), C212(H21G,H21H,H21I), C302(H30A,H30B,H30C), C303(H30D,H30E,H30F),
 C304(H30G,H30H,H30I), C306(H30J,H30K,H30L), C307(H30M,H30N,H30O), C308(H30P,
 H30Q,H30R), C310(H31A,H31B,H31C), C311(H31D,H31E,H31F), C312(H31G,H31H,H31I),
 C402(H40A,H40B,H40C), C403(H40D,H40E,H40F), C404(H40G,H40H,H40I), C406(H40J,
 H40K,H40L), C407(H40M,H40N,H40O), C408(H40P,H40Q,H40R), C410(H41A,H41B,H41C),
 C411(H41D,H41E,H41F), C412(H41G,H41H,H41I), C502(H50A,H50B,H50C), C503(H50D,
 H50E,H50F), C505(H50G,H50H,H50I), C506(H50J,H50K,H50L), C507(H50M,H50N,H50O),
 C509(H50P,H50Q,H50R), C510(H51A,H51B,H51C), C511(H51D,H51E,H51F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.21911(7) 0.53691(6) 0.93013(7) 0.0310(4) Uani 1 1 d . . . . .
Sn2 Sn 0.20360(7) 0.42372(6) 0.88120(7) 0.0312(4) Uani 1 1 d . . . . .
Sn3 Sn 0.02580(7) 0.43992(6) 0.76466(6) 0.0293(4) Uani 1 1 d . . . . .
Sn4 Sn -0.00575(7) 0.55772(6) 0.78460(6) 0.0290(4) Uani 1 1 d . . . . .
Sn5 Sn 0.17315(7) 0.45697(6) 0.74787(7) 0.0325(4) Uani 1 1 d . . . . .
Sn6 Sn 0.14388(7) 0.56307(6) 0.80875(6) 0.0282(4) Uani 1 1 d . . . . .
Sn7 Sn -0.03218(7) 0.54864(6) 0.91913(7) 0.0324(4) Uani 1 1 d . . . . .
Sn8 Sn 0.09953(7) 0.53716(6) 1.00543(7) 0.0332(4) Uani 1 1 d . . . . .
Sn9 Sn 0.05697(7) 0.43321(6) 0.90396(6) 0.0272(4) Uani 1 1 d . . . . .
Sn10 Sn -0.01619(8) 0.36116(6) 0.99337(7) 0.0335(4) Uani 1 1 d . . . . .
Cl6 Cl 0.1925(3) 0.6465(3) 0.7588(3) 0.0551(17) Uani 1 1 d . . . . .
Si1 Si 0.3193(3) 0.6071(3) 0.9747(3) 0.0374(16) Uani 1 1 d . . . . .
Si2 Si 0.2704(3) 0.3348(3) 0.9321(3) 0.0382(16) Uani 1 1 d . . . . .
Si3 Si -0.0655(3) 0.3666(3) 0.7117(3) 0.0355(15) Uani 1 1 d . . . . .
Si4 Si -0.0698(3) 0.6433(3) 0.7201(3) 0.0367(16) Uani 1 1 d . . . . .
Si5 Si 0.2505(3) 0.4541(3) 0.6434(3) 0.0423(17) Uani 1 1 d . . . . .
C19 C 0.3673(14) 0.4681(12) 0.7321(12) 0.073(8) Uani 1 1 d . . . . .
H19A H 0.3329 0.4734 0.7656 0.109 Uiso 1 1 calc GR . . . .
H19B H 0.4103 0.4884 0.7452 0.109 Uiso 1 1 calc GR . . . .
H19C H 0.3775 0.4276 0.7277 0.109 Uiso 1 1 calc GR . . . .
C101 C 0.3864(12) 0.6146(10) 0.9074(12) 0.049(6) Uani 1 1 d . . . . .
C102 C 0.4561(11) 0.6410(11) 0.9334(12) 0.062(7) Uani 1 1 d . . . . .
H10A H 0.4479 0.6798 0.9484 0.093 Uiso 1 1 calc GR . . . .
H10B H 0.4891 0.6416 0.8982 0.093 Uiso 1 1 calc GR . . . .
H10C H 0.4756 0.6182 0.9700 0.093 Uiso 1 1 calc GR . . . .
C103 C 0.4032(11) 0.5579(11) 0.8785(11) 0.057(7) Uani 1 1 d . . . . .
H10D H 0.4285 0.5347 0.9117 0.086 Uiso 1 1 calc GR . . . .
H10E H 0.4324 0.5634 0.8409 0.086 Uiso 1 1 calc GR . . . .
H10F H 0.3598 0.5387 0.8641 0.086 Uiso 1 1 calc GR . . . .
C104 C 0.3575(13) 0.6491(11) 0.8493(12) 0.070(8) Uani 1 1 d . . . . .
H10G H 0.3109 0.6351 0.8357 0.105 Uiso 1 1 calc GR . . . .
H10H H 0.3885 0.6452 0.8128 0.105 Uiso 1 1 calc GR . . . .
H10I H 0.3545 0.6891 0.8619 0.105 Uiso 1 1 calc GR . . . .
C105 C 0.2721(11) 0.6782(9) 0.9925(11) 0.040(6) Uani 1 1 d . . . . .
C106 C 0.2305(11) 0.6757(10) 1.0542(11) 0.051(7) Uani 1 1 d . . . . .
H10J H 0.1923 0.6483 1.0478 0.077 Uiso 1 1 calc GR . . . .
H10K H 0.2111 0.7132 1.0630 0.077 Uiso 1 1 calc GR . . . .
H10L H 0.2612 0.6639 1.0915 0.077 Uiso 1 1 calc GR . . . .
C107 C 0.2164(11) 0.6917(9) 0.9367(10) 0.050(6) Uani 1 1 d . . . . .
H10M H 0.2396 0.6972 0.8955 0.075 Uiso 1 1 calc GR . . . .
H10N H 0.1912 0.7263 0.9476 0.075 Uiso 1 1 calc GR . . . .
H10O H 0.1835 0.6600 0.9320 0.075 Uiso 1 1 calc GR . . . .
C108 C 0.3237(13) 0.7265(10) 0.9990(12) 0.068(8) Uani 1 1 d . . . . .
H10P H 0.3589 0.7179 1.0340 0.102 Uiso 1 1 calc GR . . . .
H10Q H 0.2991 0.7615 1.0096 0.102 Uiso 1 1 calc GR . . . .
H10R H 0.3466 0.7314 0.9575 0.102 Uiso 1 1 calc GR . . . .
C109 C 0.3610(11) 0.5755(9) 1.0529(11) 0.044(6) Uani 1 1 d . . . . .
C110 C 0.4006(12) 0.6203(10) 1.0979(10) 0.052(7) Uani 1 1 d . . . . .
H11A H 0.4358 0.6396 1.0728 0.078 Uiso 1 1 calc GR . . . .
H11B H 0.4234 0.6010 1.1357 0.078 Uiso 1 1 calc GR . . . .
H11C H 0.3672 0.6482 1.1132 0.078 Uiso 1 1 calc GR . . . .
C111 C 0.4117(12) 0.5275(10) 1.0398(11) 0.054(7) Uani 1 1 d . . . . .
H11D H 0.3871 0.4975 1.0148 0.081 Uiso 1 1 calc GR . . . .
H11E H 0.4305 0.5121 1.0816 0.081 Uiso 1 1 calc GR . . . .
H11F H 0.4500 0.5421 1.0145 0.081 Uiso 1 1 calc GR . . . .
C112 C 0.3047(11) 0.5498(9) 1.0959(10) 0.046(6) Uani 1 1 d . . . . .
H11G H 0.2696 0.5787 1.1045 0.069 Uiso 1 1 calc GR . . . .
H11H H 0.3266 0.5367 1.1376 0.069 Uiso 1 1 calc GR . . . .
H11I H 0.2822 0.5177 1.0729 0.069 Uiso 1 1 calc GR . . . .
C201 C 0.3665(12) 0.3364(9) 0.9102(11) 0.049(6) Uani 1 1 d . . . . .
C202 C 0.3724(12) 0.3197(11) 0.8375(12) 0.064(8) Uani 1 1 d . . . . .
H20A H 0.3652 0.2787 0.8326 0.096 Uiso 1 1 calc GR . . . .
H20B H 0.4189 0.3297 0.8233 0.096 Uiso 1 1 calc GR . . . .
H20C H 0.3368 0.3400 0.8105 0.096 Uiso 1 1 calc GR . . . .
C203 C 0.3967(12) 0.3973(10) 0.9154(13) 0.069(8) Uani 1 1 d . . . . .
H20D H 0.3655 0.4236 0.8910 0.103 Uiso 1 1 calc GR . . . .
H20E H 0.4429 0.3982 0.8970 0.103 Uiso 1 1 calc GR . . . .
H20F H 0.4007 0.4088 0.9616 0.103 Uiso 1 1 calc GR . . . .
C204 C 0.4114(10) 0.2961(9) 0.9530(12) 0.051(7) Uani 1 1 d . . . . .
H20G H 0.4129 0.3094 0.9986 0.076 Uiso 1 1 calc GR . . . .
H20H H 0.4588 0.2951 0.9373 0.076 Uiso 1 1 calc GR . . . .
H20I H 0.3912 0.2579 0.9507 0.076 Uiso 1 1 calc GR . . . .
C205 C 0.2626(10) 0.3420(9) 1.0254(10) 0.040(6) Uani 1 1 d . U . . .
C206 C 0.1885(13) 0.3637(10) 1.0393(10) 0.061(8) Uani 1 1 d . U . . .
H20J H 0.1817 0.4016 1.0203 0.092 Uiso 1 1 calc GR . . . .
H20K H 0.1833 0.3656 1.0868 0.092 Uiso 1 1 calc GR . . . .
H20L H 0.1535 0.3377 1.0196 0.092 Uiso 1 1 calc GR . . . .
C207 C 0.3132(12) 0.3869(10) 1.0549(12) 0.061(7) Uani 1 1 d . . . . .
H20M H 0.3611 0.3723 1.0555 0.092 Uiso 1 1 calc GR . . . .
H20N H 0.3008 0.3957 1.0998 0.092 Uiso 1 1 calc GR . . . .
H20O H 0.3100 0.4215 1.0282 0.092 Uiso 1 1 calc GR . . . .
C208 C 0.2721(13) 0.2848(9) 1.0625(12) 0.062(8) Uani 1 1 d . U . . .
H20P H 0.2350 0.2585 1.0476 0.093 Uiso 1 1 calc GR . . . .
H20Q H 0.2694 0.2914 1.1097 0.093 Uiso 1 1 calc GR . . . .
H20R H 0.3176 0.2685 1.0536 0.093 Uiso 1 1 calc GR . . . .
C209 C 0.2205(12) 0.2684(9) 0.8969(11) 0.048(7) Uani 1 1 d . . . . .
C210 C 0.2597(12) 0.2133(9) 0.9095(12) 0.060(8) Uani 1 1 d . . . . .
H21A H 0.3085 0.2181 0.8984 0.090 Uiso 1 1 calc GR . . . .
H21B H 0.2382 0.1832 0.8822 0.090 Uiso 1 1 calc GR . . . .
H21C H 0.2577 0.2030 0.9558 0.090 Uiso 1 1 calc GR . . . .
C211 C 0.1487(12) 0.2641(10) 0.9238(13) 0.066(8) Uani 1 1 d . . . . .
H21D H 0.1531 0.2567 0.9710 0.099 Uiso 1 1 calc GR . . . .
H21E H 0.1229 0.2330 0.9019 0.099 Uiso 1 1 calc GR . . . .
H21F H 0.1235 0.2998 0.9159 0.099 Uiso 1 1 calc GR . . . .
C212 C 0.2110(13) 0.2739(9) 0.8210(11) 0.061(8) Uani 1 1 d . . . . .
H21G H 0.1794 0.3055 0.8100 0.091 Uiso 1 1 calc GR . . . .
H21H H 0.1912 0.2387 0.8027 0.091 Uiso 1 1 calc GR . . . .
H21I H 0.2564 0.2810 0.8026 0.091 Uiso 1 1 calc GR . . . .
C301 C -0.1520(13) 0.3867(11) 0.7474(12) 0.057(7) Uani 1 1 d . . . . .
C302 C -0.2093(12) 0.3410(12) 0.7408(13) 0.074(9) Uani 1 1 d . . . . .
H30A H -0.2091 0.3240 0.6970 0.111 Uiso 1 1 calc GR . . . .
H30B H -0.2549 0.3584 0.7471 0.111 Uiso 1 1 calc GR . . . .
H30C H -0.2002 0.3116 0.7740 0.111 Uiso 1 1 calc GR . . . .
C303 C -0.1847(12) 0.4399(11) 0.7137(13) 0.068(8) Uani 1 1 d . . . . .
H30D H -0.1487 0.4689 0.7095 0.101 Uiso 1 1 calc GR . . . .
H30E H -0.2219 0.4547 0.7402 0.101 Uiso 1 1 calc GR . . . .
H30F H -0.2042 0.4296 0.6701 0.101 Uiso 1 1 calc GR . . . .
C304 C -0.1409(13) 0.4010(12) 0.8202(11) 0.070(8) Uani 1 1 d . . . . .
H30G H -0.1288 0.3665 0.8448 0.105 Uiso 1 1 calc GR . . . .
H30H H -0.1839 0.4172 0.8363 0.105 Uiso 1 1 calc GR . . . .
H30I H -0.1029 0.4287 0.8261 0.105 Uiso 1 1 calc GR . . . .
C305 C -0.0669(13) 0.3763(11) 0.6170(11) 0.052(7) Uani 1 1 d . . . . .
C306 C -0.0065(17) 0.3476(12) 0.5890(12) 0.092(11) Uani 1 1 d . . . . .
H30J H 0.0359 0.3562 0.6159 0.137 Uiso 1 1 calc GR . . . .
H30K H -0.0012 0.3610 0.5441 0.137 Uiso 1 1 calc GR . . . .
H30L H -0.0144 0.3065 0.5886 0.137 Uiso 1 1 calc GR . . . .
C307 C -0.1332(14) 0.3508(11) 0.5831(11) 0.075(9) Uani 1 1 d . U . . .
H30M H -0.1386 0.3115 0.5974 0.113 Uiso 1 1 calc GR . . . .
H30N H -0.1292 0.3519 0.5355 0.113 Uiso 1 1 calc GR . . . .
H30O H -0.1740 0.3730 0.5949 0.113 Uiso 1 1 calc GR . . . .
C308 C -0.0628(12) 0.4376(10) 0.5988(9) 0.048(6) Uani 1 1 d . . . . .
H30P H -0.1012 0.4583 0.6180 0.072 Uiso 1 1 calc GR . . . .
H30Q H -0.0665 0.4414 0.5510 0.072 Uiso 1 1 calc GR . . . .
H30R H -0.0181 0.4533 0.6156 0.072 Uiso 1 1 calc GR . . . .
C309 C -0.0347(13) 0.2915(9) 0.7402(12) 0.053(7) Uani 1 1 d . . . . .
C310 C 0.0457(13) 0.2848(10) 0.7316(13) 0.067(8) Uani 1 1 d . . . . .
H31A H 0.0552 0.2872 0.6849 0.100 Uiso 1 1 calc GR . . . .
H31B H 0.0613 0.2479 0.7488 0.100 Uiso 1 1 calc GR . . . .
H31C H 0.0709 0.3151 0.7556 0.100 Uiso 1 1 calc GR . . . .
C311 C -0.0452(15) 0.2816(10) 0.8121(13) 0.078(9) Uani 1 1 d . . . . .
H31D H -0.0110 0.3040 0.8384 0.116 Uiso 1 1 calc GR . . . .
H31E H -0.0388 0.2413 0.8222 0.116 Uiso 1 1 calc GR . . . .
H31F H -0.0925 0.2933 0.8223 0.116 Uiso 1 1 calc GR . . . .
C312 C -0.0722(14) 0.2451(9) 0.7010(12) 0.068(8) Uani 1 1 d . . . . .
H31G H -0.1207 0.2428 0.7137 0.102 Uiso 1 1 calc GR . . . .
H31H H -0.0488 0.2087 0.7099 0.102 Uiso 1 1 calc GR . . . .
H31I H -0.0712 0.2538 0.6542 0.102 Uiso 1 1 calc GR . . . .
C401 C -0.1696(12) 0.6271(10) 0.7088(11) 0.048(6) Uani 1 1 d . . . . .
C402 C -0.1968(11) 0.6033(10) 0.7693(11) 0.054(7) Uani 1 1 d . . . . .
H40A H -0.1746 0.5666 0.7788 0.080 Uiso 1 1 calc GR . . . .
H40B H -0.2475 0.5981 0.7634 0.080 Uiso 1 1 calc GR . . . .
H40C H -0.1865 0.6294 0.8059 0.080 Uiso 1 1 calc GR . . . .
C403 C -0.1864(11) 0.5850(9) 0.6543(10) 0.048(6) Uani 1 1 d . . . . .
H40D H -0.1644 0.5972 0.6143 0.072 Uiso 1 1 calc GR . . . .
H40E H -0.2371 0.5830 0.6459 0.072 Uiso 1 1 calc GR . . . .
H40F H -0.1686 0.5475 0.6673 0.072 Uiso 1 1 calc GR . . . .
C404 C -0.2129(12) 0.6817(10) 0.6949(11) 0.055(7) Uani 1 1 d . . . . .
H40G H -0.2096 0.7064 0.7335 0.083 Uiso 1 1 calc GR . . . .
H40H H -0.2618 0.6715 0.6850 0.083 Uiso 1 1 calc GR . . . .
H40I H -0.1945 0.7016 0.6573 0.083 Uiso 1 1 calc GR . . . .
C405 C -0.0284(11) 0.6451(9) 0.6360(11) 0.044(6) Uani 1 1 d . . . . .
C406 C -0.0236(12) 0.5872(9) 0.6062(9) 0.049(7) Uani 1 1 d . . . . .
H40J H 0.0061 0.5630 0.6349 0.073 Uiso 1 1 calc GR . . . .
H40K H -0.0034 0.5902 0.5632 0.073 Uiso 1 1 calc GR . . . .
H40L H -0.0704 0.5706 0.6011 0.073 Uiso 1 1 calc GR . . . .
C407 C -0.0703(13) 0.6862(10) 0.5870(11) 0.063(8) Uani 1 1 d . . . . .
H40M H -0.1154 0.6690 0.5739 0.094 Uiso 1 1 calc GR . . . .
H40N H -0.0434 0.6924 0.5481 0.094 Uiso 1 1 calc GR . . . .
H40O H -0.0781 0.7225 0.6087 0.094 Uiso 1 1 calc GR . . . .
C408 C 0.0468(13) 0.6686(10) 0.6429(11) 0.059(7) Uani 1 1 d . . . . .
H40P H 0.0452 0.7096 0.6508 0.088 Uiso 1 1 calc GR . . . .
H40Q H 0.0708 0.6611 0.6025 0.088 Uiso 1 1 calc GR . . . .
H40R H 0.0720 0.6500 0.6799 0.088 Uiso 1 1 calc GR . . . .
C409 C -0.0501(11) 0.7112(9) 0.7736(10) 0.038(6) Uani 1 1 d . . . . .
C410 C -0.0639(13) 0.7667(10) 0.7362(12) 0.066(8) Uani 1 1 d . . . . .
H41A H -0.0331 0.7690 0.6994 0.099 Uiso 1 1 calc GR . . . .
H41B H -0.0548 0.7989 0.7658 0.099 Uiso 1 1 calc GR . . . .
H41C H -0.1127 0.7677 0.7195 0.099 Uiso 1 1 calc GR . . . .
C411 C 0.0248(12) 0.7124(10) 0.8013(11) 0.056(7) Uani 1 1 d . . . . .
H41D H 0.0338 0.6788 0.8287 0.084 Uiso 1 1 calc GR . . . .
H41E H 0.0324 0.7467 0.8278 0.084 Uiso 1 1 calc GR . . . .
H41F H 0.0567 0.7125 0.7652 0.084 Uiso 1 1 calc GR . . . .
C412 C -0.0955(12) 0.7128(10) 0.8327(10) 0.051(6) Uani 1 1 d . . . . .
H41G H -0.1448 0.7142 0.8177 0.076 Uiso 1 1 calc GR . . . .
H41H H -0.0840 0.7465 0.8591 0.076 Uiso 1 1 calc GR . . . .
H41I H -0.0870 0.6787 0.8594 0.076 Uiso 1 1 calc GR . . . .
C501 C 0.3377(12) 0.4913(10) 0.6663(11) 0.047(6) Uani 1 1 d . . . . .
C502 C 0.3307(13) 0.5556(11) 0.6766(14) 0.075(9) Uani 1 1 d . . . . .
H50A H 0.3160 0.5737 0.6350 0.113 Uiso 1 1 calc GR . . . .
H50B H 0.3758 0.5712 0.6924 0.113 Uiso 1 1 calc GR . . . .
H50C H 0.2958 0.5629 0.7091 0.113 Uiso 1 1 calc GR . . . .
C503 C 0.3927(13) 0.4817(12) 0.6168(13) 0.076(9) Uani 1 1 d . . . . .
H50D H 0.3920 0.4418 0.6032 0.114 Uiso 1 1 calc GR . . . .
H50E H 0.4388 0.4911 0.6368 0.114 Uiso 1 1 calc GR . . . .
H50F H 0.3829 0.5060 0.5785 0.114 Uiso 1 1 calc GR . . . .
C504 C 0.2643(13) 0.3757(10) 0.6194(12) 0.055(7) Uani 1 1 d . . . . .
C505 C 0.3178(13) 0.3464(11) 0.6641(13) 0.076(9) Uani 1 1 d . . . . .
H50G H 0.3640 0.3627 0.6578 0.115 Uiso 1 1 calc GR . . . .
H50H H 0.3185 0.3058 0.6538 0.115 Uiso 1 1 calc GR . . . .
H50I H 0.3058 0.3516 0.7098 0.115 Uiso 1 1 calc GR . . . .
C506 C 0.1967(14) 0.3429(10) 0.6258(12) 0.070(8) Uani 1 1 d . U . . .
H50J H 0.1809 0.3470 0.6705 0.105 Uiso 1 1 calc GR . . . .
H50K H 0.2046 0.3027 0.6165 0.105 Uiso 1 1 calc GR . . . .
H50L H 0.1609 0.3579 0.5945 0.105 Uiso 1 1 calc GR . . . .
C507 C 0.2870(12) 0.3703(10) 0.5484(10) 0.056(7) Uani 1 1 d . . . . .
H50M H 0.2473 0.3789 0.5179 0.085 Uiso 1 1 calc GR . . . .
H50N H 0.3033 0.3316 0.5407 0.085 Uiso 1 1 calc GR . . . .
H50O H 0.3250 0.3971 0.5413 0.085 Uiso 1 1 calc GR . . . .
C508 C 0.1985(12) 0.4950(10) 0.5781(11) 0.050(6) Uani 1 1 d . . . . .
C509 C 0.1694(13) 0.5502(10) 0.6035(12) 0.065(8) Uani 1 1 d . . . . .
H50P H 0.1519 0.5442 0.6472 0.098 Uiso 1 1 calc GR . . . .
H50Q H 0.1310 0.5632 0.5736 0.098 Uiso 1 1 calc GR . . . .
H50R H 0.2063 0.5790 0.6059 0.098 Uiso 1 1 calc GR . . . .
C510 C 0.2412(12) 0.5115(11) 0.5182(10) 0.061(7) Uani 1 1 d . . . . .
H51A H 0.2756 0.5406 0.5313 0.092 Uiso 1 1 calc GR . . . .
H51B H 0.2096 0.5264 0.4831 0.092 Uiso 1 1 calc GR . . . .
H51C H 0.2654 0.4779 0.5023 0.092 Uiso 1 1 calc GR . . . .
C511 C 0.1347(13) 0.4609(11) 0.5521(11) 0.071(8) Uani 1 1 d . . . . .
H51D H 0.1503 0.4277 0.5279 0.107 Uiso 1 1 calc GR . . . .
H51E H 0.1054 0.4849 0.5227 0.107 Uiso 1 1 calc GR . . . .
H51F H 0.1076 0.4485 0.5889 0.107 Uiso 1 1 calc GR . . . .


_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 Sn2 2.860(2) . ?
Sn1 Sn6 2.8726(19) . ?
Sn1 Sn8 2.823(2) . ?
Sn1 Si1 2.661(6) . ?
Sn2 Sn5 2.865(2) . ?
Sn2 Sn9 2.881(2) . ?
Sn2 Si2 2.643(6) . ?
Sn3 Sn4 2.875(2) . ?
Sn3 Sn5 2.891(2) . ?
Sn3 Sn9 2.8820(19) . ?
Sn3 Si3 2.652(6) . ?
Sn4 Sn6 2.890(2) . ?
Sn4 Sn7 2.826(2) . ?
Sn4 Si4 2.676(6) . ?
Sn5 Sn6 2.861(2) . ?
Sn5 Si5 2.659(6) . ?
Sn6 Cl6 2.423(6) . ?
Sn7 Sn8 2.886(2) 3_567 ?
Sn7 Sn8 3.020(2) . ?
Sn7 Sn9 3.236(2) . ?
Sn7 Sn10 2.900(2) 3_567 ?
Sn8 Sn7 2.886(2) 3_567 ?
Sn8 Sn9 3.286(2) . ?
Sn8 Sn10 2.881(2) 3_567 ?
Sn9 Sn10 2.905(2) . ?
Sn10 Sn7 2.900(2) 3_567 ?
Sn10 Sn8 2.881(2) 3_567 ?
Si1 C101 1.94(2) . ?
Si1 C105 1.95(2) . ?
Si1 C109 1.90(2) . ?
Si2 C201 1.92(2) . ?
Si2 C205 1.93(2) . ?
Si2 C209 1.95(2) . ?
Si3 C301 1.90(3) . ?
Si3 C305 1.95(2) . ?
Si3 C309 1.95(2) . ?
Si4 C401 1.95(2) . ?
Si4 C405 1.93(2) . ?
Si4 C409 1.96(2) . ?
Si5 C501 1.92(2) . ?
Si5 C504 1.93(2) . ?
Si5 C508 1.89(2) . ?
C19 C501 1.53(3) . ?
C101 C102 1.54(3) . ?
C101 C103 1.50(3) . ?
C101 C104 1.52(3) . ?
C105 C106 1.53(3) . ?
C105 C107 1.55(3) . ?
C105 C108 1.51(3) . ?
C109 C110 1.57(3) . ?
C109 C111 1.52(3) . ?
C109 C112 1.55(3) . ?
C201 C202 1.55(3) . ?
C201 C203 1.55(3) . ?
C201 C204 1.53(3) . ?
C205 C206 1.55(3) . ?
C205 C207 1.54(3) . ?
C205 C208 1.55(3) . ?
C209 C210 1.52(3) . ?
C209 C211 1.51(3) . ?
C209 C212 1.56(3) . ?
C301 C302 1.54(3) . ?
C301 C303 1.55(3) . ?
C301 C304 1.53(3) . ?
C305 C306 1.48(3) . ?
C305 C307 1.54(3) . ?
C305 C308 1.49(3) . ?
C309 C310 1.57(3) . ?
C309 C311 1.51(3) . ?
C309 C312 1.52(3) . ?
C401 C402 1.48(3) . ?
C401 C403 1.51(3) . ?
C401 C404 1.55(3) . ?
C405 C406 1.50(3) . ?
C405 C407 1.58(3) . ?
C405 C408 1.54(3) . ?
C409 C410 1.53(3) . ?
C409 C411 1.52(3) . ?
C409 C412 1.52(3) . ?
C501 C502 1.54(3) . ?
C501 C503 1.51(3) . ?
C504 C505 1.51(3) . ?
C504 C506 1.52(3) . ?
C504 C507 1.54(3) . ?
C508 C509 1.52(3) . ?
C508 C510 1.56(3) . ?
C508 C511 1.54(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
Sn2 Sn1 Sn6 81.94(5) . . ?
Sn8 Sn1 Sn2 96.83(6) . . ?
Sn8 Sn1 Sn6 94.73(6) . . ?
Si1 Sn1 Sn2 139.47(15) . . ?
Si1 Sn1 Sn6 119.02(15) . . ?
Si1 Sn1 Sn8 113.88(15) . . ?
Sn1 Sn2 Sn5 95.13(6) . . ?
Sn1 Sn2 Sn9 87.52(5) . . ?
Sn5 Sn2 Sn9 88.69(5) . . ?
Si2 Sn2 Sn1 124.27(14) . . ?
Si2 Sn2 Sn5 131.50(15) . . ?
Si2 Sn2 Sn9 117.13(15) . . ?
Sn4 Sn3 Sn5 95.52(6) . . ?
Sn4 Sn3 Sn9 87.02(5) . . ?
Sn9 Sn3 Sn5 88.18(5) . . ?
Si3 Sn3 Sn4 123.21(14) . . ?
Si3 Sn3 Sn5 132.20(15) . . ?
Si3 Sn3 Sn9 117.86(14) . . ?
Sn3 Sn4 Sn6 81.50(5) . . ?
Sn7 Sn4 Sn3 96.52(6) . . ?
Sn7 Sn4 Sn6 93.52(5) . . ?
Si4 Sn4 Sn3 138.88(14) . . ?
Si4 Sn4 Sn6 118.62(15) . . ?
Si4 Sn4 Sn7 115.85(14) . . ?
Sn2 Sn5 Sn3 90.23(6) . . ?
Sn6 Sn5 Sn2 82.04(5) . . ?
Sn6 Sn5 Sn3 81.73(5) . . ?
Si5 Sn5 Sn2 131.29(15) . . ?
Si5 Sn5 Sn3 132.75(15) . . ?
Si5 Sn5 Sn6 120.00(15) . . ?
Sn1 Sn6 Sn4 126.17(6) . . ?
Sn5 Sn6 Sn1 94.95(6) . . ?
Sn5 Sn6 Sn4 95.86(6) . . ?
Cl6 Sn6 Sn1 110.49(15) . . ?
Cl6 Sn6 Sn4 111.29(15) . . ?
Cl6 Sn6 Sn5 116.01(16) . . ?
Sn4 Sn7 Sn8 132.71(7) . 3_567 ?
Sn4 Sn7 Sn8 112.91(6) . . ?
Sn4 Sn7 Sn9 81.36(5) . . ?
Sn4 Sn7 Sn10 118.44(6) . 3_567 ?
Sn8 Sn7 Sn8 90.52(5) 3_567 . ?
Sn8 Sn7 Sn9 73.39(5) 3_567 . ?
Sn8 Sn7 Sn9 63.25(5) . . ?
Sn8 Sn7 Sn10 108.84(6) 3_567 3_567 ?
Sn10 Sn7 Sn8 58.21(5) 3_567 . ?
Sn10 Sn7 Sn9 121.39(6) 3_567 . ?
Sn1 Sn8 Sn7 133.32(7) . 3_567 ?
Sn1 Sn8 Sn7 111.15(6) . . ?
Sn1 Sn8 Sn9 80.69(5) . . ?
Sn1 Sn8 Sn10 118.17(7) . 3_567 ?
Sn7 Sn8 Sn7 89.48(6) 3_567 . ?
Sn7 Sn8 Sn9 61.59(5) . . ?
Sn7 Sn8 Sn9 73.15(5) 3_567 . ?
Sn10 Sn8 Sn7 58.81(5) 3_567 . ?
Sn10 Sn8 Sn7 108.39(6) 3_567 3_567 ?
Sn10 Sn8 Sn9 120.34(6) 3_567 . ?
Sn2 Sn9 Sn3 90.10(5) . . ?
Sn2 Sn9 Sn7 127.23(6) . . ?
Sn2 Sn9 Sn8 86.88(5) . . ?
Sn2 Sn9 Sn10 124.15(6) . . ?
Sn3 Sn9 Sn7 87.90(5) . . ?
Sn3 Sn9 Sn8 127.91(6) . . ?
Sn3 Sn9 Sn10 124.70(6) . . ?
Sn7 Sn9 Sn8 55.15(4) . . ?
Sn10 Sn9 Sn7 99.07(5) . . ?
Sn10 Sn9 Sn8 98.76(5) . . ?
Sn7 Sn10 Sn9 78.98(5) 3_567 . ?
Sn8 Sn10 Sn7 62.98(5) 3_567 3_567 ?
Sn8 Sn10 Sn9 78.71(5) 3_567 . ?
C101 Si1 Sn1 108.0(7) . . ?
C101 Si1 C105 112.6(10) . . ?
C105 Si1 Sn1 105.3(6) . . ?
C109 Si1 Sn1 108.1(7) . . ?
C109 Si1 C101 111.5(10) . . ?
C109 Si1 C105 111.0(10) . . ?
C201 Si2 Sn2 110.2(7) . . ?
C201 Si2 C205 110.5(10) . . ?
C201 Si2 C209 113.0(10) . . ?
C205 Si2 Sn2 105.0(6) . . ?
C205 Si2 C209 112.0(10) . . ?
C209 Si2 Sn2 105.8(6) . . ?
C301 Si3 Sn3 104.6(7) . . ?
C301 Si3 C305 112.4(11) . . ?
C301 Si3 C309 111.6(11) . . ?
C305 Si3 Sn3 107.7(7) . . ?
C305 Si3 C309 113.2(11) . . ?
C309 Si3 Sn3 106.6(7) . . ?
C401 Si4 Sn4 109.5(7) . . ?
C401 Si4 C409 112.7(10) . . ?
C405 Si4 Sn4 104.8(7) . . ?
C405 Si4 C401 110.1(10) . . ?
C405 Si4 C409 113.7(10) . . ?
C409 Si4 Sn4 105.6(6) . . ?
C501 Si5 Sn5 107.8(7) . . ?
C501 Si5 C504 111.7(11) . . ?
C504 Si5 Sn5 108.4(8) . . ?
C508 Si5 Sn5 104.9(7) . . ?
C508 Si5 C501 111.2(10) . . ?
C508 Si5 C504 112.5(11) . . ?
C102 C101 Si1 112.8(16) . . ?
C103 C101 Si1 111.1(16) . . ?
C103 C101 C102 107(2) . . ?
C103 C101 C104 104(2) . . ?
C104 C101 Si1 112.0(16) . . ?
C104 C101 C102 109(2) . . ?
C106 C105 Si1 112.8(15) . . ?
C106 C105 C107 104.2(17) . . ?
C107 C105 Si1 110.3(14) . . ?
C108 C105 Si1 110.9(16) . . ?
C108 C105 C106 109.0(19) . . ?
C108 C105 C107 109.5(18) . . ?
C110 C109 Si1 113.6(15) . . ?
C111 C109 Si1 112.8(15) . . ?
C111 C109 C110 107.9(17) . . ?
C111 C109 C112 106.1(19) . . ?
C112 C109 Si1 110.7(14) . . ?
C112 C109 C110 105.2(18) . . ?
C202 C201 Si2 109.5(16) . . ?
C202 C201 C203 105(2) . . ?
C203 C201 Si2 111.2(15) . . ?
C204 C201 Si2 112.0(16) . . ?
C204 C201 C202 109.0(18) . . ?
C204 C201 C203 109.9(19) . . ?
C206 C205 Si2 109.0(14) . . ?
C206 C205 C208 106.5(18) . . ?
C207 C205 Si2 111.7(16) . . ?
C207 C205 C206 105.5(18) . . ?
C207 C205 C208 110.6(18) . . ?
C208 C205 Si2 113.1(15) . . ?
C210 C209 Si2 113.2(15) . . ?
C210 C209 C212 105.8(19) . . ?
C211 C209 Si2 111.1(16) . . ?
C211 C209 C210 110(2) . . ?
C211 C209 C212 107.6(19) . . ?
C212 C209 Si2 109.3(15) . . ?
C302 C301 Si3 115.1(18) . . ?
C302 C301 C303 105(2) . . ?
C303 C301 Si3 111.9(16) . . ?
C304 C301 Si3 110.2(17) . . ?
C304 C301 C302 108(2) . . ?
C304 C301 C303 107(2) . . ?
C306 C305 Si3 110.9(18) . . ?
C306 C305 C307 107(2) . . ?
C306 C305 C308 107(2) . . ?
C307 C305 Si3 111.8(16) . . ?
C308 C305 Si3 111.2(16) . . ?
C308 C305 C307 108(2) . . ?
C310 C309 Si3 110.1(15) . . ?
C311 C309 Si3 112.2(17) . . ?
C311 C309 C310 106(2) . . ?
C311 C309 C312 109(2) . . ?
C312 C309 Si3 111.7(16) . . ?
C312 C309 C310 108(2) . . ?
C402 C401 Si4 111.1(15) . . ?
C402 C401 C403 107(2) . . ?
C402 C401 C404 105.2(19) . . ?
C403 C401 Si4 112.7(16) . . ?
C403 C401 C404 108.5(18) . . ?
C404 C401 Si4 111.8(16) . . ?
C406 C405 Si4 112.2(14) . . ?
C406 C405 C407 109.9(19) . . ?
C406 C405 C408 106.7(19) . . ?
C407 C405 Si4 111.0(15) . . ?
C408 C405 Si4 110.5(15) . . ?
C408 C405 C407 106.3(18) . . ?
C410 C409 Si4 113.2(15) . . ?
C411 C409 Si4 112.1(15) . . ?
C411 C409 C410 107.9(19) . . ?
C411 C409 C412 105.8(17) . . ?
C412 C409 Si4 111.0(15) . . ?
C412 C409 C410 106.4(18) . . ?
C19 C501 Si5 109.2(16) . . ?
C19 C501 C502 105(2) . . ?
C502 C501 Si5 113.7(16) . . ?
C503 C501 Si5 113.3(17) . . ?
C503 C501 C19 107(2) . . ?
C503 C501 C502 108(2) . . ?
C505 C504 Si5 112.5(17) . . ?
C505 C504 C506 106(2) . . ?
C505 C504 C507 108(2) . . ?
C506 C504 Si5 109.7(17) . . ?
C506 C504 C507 108.8(19) . . ?
C507 C504 Si5 111.4(17) . . ?
C509 C508 Si5 112.8(16) . . ?
C509 C508 C510 106(2) . . ?
C509 C508 C511 105(2) . . ?
C510 C508 Si5 113.7(17) . . ?
C511 C508 Si5 111.3(16) . . ?
C511 C508 C510 107.4(19) . . ?

_platon_squeeze_details          ?
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 0.000 0.000 0.000 803 143 ' '
2 0.500 0.500 0.500 803 143 ' '

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.5226(10)
2 0.4774(10)

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene, pentane'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
