#------------------------------------------------------------------------------
#$Date: 2021-06-05 21:46:37 +0300 (Sat, 05 Jun 2021) $
#$Revision: 266060 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/68/7706807.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7706807
loop_
_publ_author_name
'Weiß, Sebastian'
'Widemann, Max'
'Eichele, Klaus'
'Schubert, Hartmut'
'Wesemann, Lars'
_publ_section_title
;
 Low valent lead and tin hydrides in reactions with heteroallenes.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4952
_journal_page_last               4958
_journal_paper_doi               10.1039/d1dt00542a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C47 H65 N O Sn'
_chemical_formula_weight         778.69
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2021-03-08 deposited with the CCDC.	2021-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.420(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.0046(14)
_cell_length_b                   18.4257(12)
_cell_length_c                   12.0392(8)
_cell_measurement_reflns_used    6405
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.72
_cell_measurement_theta_min      2.18
_cell_volume                     4159.0(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    Platon,Wingx,Shelxle
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0827
_diffrn_reflns_av_unetI/netI     0.0786
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            36732
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.547
_diffrn_reflns_theta_min         2.040
_exptl_absorpt_coefficient_mu    0.649
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6122
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_description       prism
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.121
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.258
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         9533
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.256
_refine_ls_R_factor_all          0.1157
_refine_ls_R_factor_gt           0.0669
_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)+(0.0170P)²+7.3172P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1145
_refine_ls_wR_factor_ref         0.1287
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6681
_reflns_number_total             9533
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00542a2.cif
_cod_data_source_block           MW21_0ma
_cod_depositor_comments
'Adding full bibliography for 7706807--7706812.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7706807
_shelx_shelxl_version_number     2018/1
_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, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C3 C 0.2157(2) 0.40974(19) 0.4184(3) 0.0190(8) Uani 1 1 d . . . . .
H3 H 0.236852 0.364178 0.440780 0.023 Uiso 1 1 calc R U . . .
C25 C 0.4105(2) 0.39765(19) 0.2372(3) 0.0204(8) Uani 1 1 d . . . . .
H25 H 0.457276 0.417359 0.245461 0.024 Uiso 1 1 calc R U . . .
C21 C 0.28822(19) 0.40812(18) 0.2660(3) 0.0165(7) Uani 1 1 d . . . . .
C26 C 0.3578(2) 0.43673(18) 0.2781(3) 0.0167(7) Uani 1 1 d . . . . .
C6 C 0.1558(2) 0.54368(18) 0.3565(3) 0.0177(8) Uani 1 1 d . . . . .
C4 C 0.1687(2) 0.44086(18) 0.4814(3) 0.0191(8) Uani 1 1 d . . . . .
H4 H 0.156544 0.415935 0.544704 0.023 Uiso 1 1 calc R U . . .
C24 C 0.3974(2) 0.33066(19) 0.1845(3) 0.0222(8) Uani 1 1 d . . . . .
C7 C 0.1269(2) 0.61852(18) 0.3258(3) 0.0167(8) Uani 1 1 d . . . . .
C1 C 0.2012(2) 0.51185(18) 0.2891(3) 0.0191(6) Uani 1 1 d . . . . .
C8 C 0.0596(2) 0.62692(18) 0.2582(3) 0.0195(8) Uani 1 1 d . . . . .
C10 C 0.0773(2) 0.75748(19) 0.2562(3) 0.0258(9) Uani 1 1 d . . . . .
C9 C 0.0364(2) 0.69655(19) 0.2254(3) 0.0240(9) Uani 1 1 d . . . . .
H9 H -0.009151 0.702338 0.180229 0.029 Uiso 1 1 calc R U . . .
C18 C 0.0121(2) 0.56228(19) 0.2227(3) 0.0245(9) Uani 1 1 d . . . . .
H18 H 0.043375 0.518542 0.224268 0.029 Uiso 1 1 calc R U . . .
C5 C 0.1397(2) 0.50844(19) 0.4517(3) 0.0198(8) Uani 1 1 d . . . . .
H5 H 0.108774 0.530755 0.496155 0.024 Uiso 1 1 calc R U . . .
C11 C 0.1429(2) 0.7483(2) 0.3259(3) 0.0257(9) Uani 1 1 d . . . . .
H11 H 0.170870 0.789873 0.349739 0.031 Uiso 1 1 calc R U . . .
C2 C 0.23272(19) 0.44424(17) 0.3224(3) 0.0162(7) Uani 1 1 d . . . . .
C23 C 0.3280(2) 0.30377(19) 0.1707(3) 0.0210(8) Uani 1 1 d . . . . .
H23 H 0.317781 0.258411 0.134011 0.025 Uiso 1 1 calc R U . . .
C28 C 0.1977(2) 0.31026(19) 0.1876(3) 0.0214(8) Uani 1 1 d . . . . .
H28 H 0.165178 0.346230 0.215410 0.026 Uiso 1 1 calc R U . . .
C22 C 0.2729(2) 0.34157(18) 0.2091(3) 0.0180(8) Uani 1 1 d . . . . .
C27 C 0.3769(2) 0.5061(2) 0.3454(3) 0.0227(8) Uani 1 1 d . . . . .
H27 H 0.332990 0.536847 0.337319 0.027 Uiso 1 1 calc R U . . .
C20 C -0.0389(2) 0.5496(2) 0.3066(4) 0.0345(10) Uani 1 1 d . . . . .
H20A H -0.069359 0.507619 0.282586 0.052 Uiso 1 1 calc R U . . .
H20B H -0.011417 0.540268 0.381407 0.052 Uiso 1 1 calc R U . . .
H20C H -0.068784 0.592685 0.309550 0.052 Uiso 1 1 calc R U . . .
C13 C 0.2385(2) 0.6732(2) 0.4435(3) 0.0272(9) Uani 1 1 d . . . . .
H13 H 0.257982 0.623525 0.434183 0.033 Uiso 1 1 calc R U . . .
C14 C 0.2955(3) 0.7279(3) 0.4235(5) 0.0518(10) Uani 1 1 d . . . . .
H14A H 0.338683 0.720264 0.479146 0.078 Uiso 1 1 calc R U . . .
H14B H 0.306798 0.721285 0.347613 0.078 Uiso 1 1 calc R U . . .
H14C H 0.277721 0.777272 0.431077 0.078 Uiso 1 1 calc R U . . .
C12 C 0.1688(2) 0.68001(19) 0.3616(3) 0.0213(8) Uani 1 1 d . . . . .
C19 C -0.0302(2) 0.5689(2) 0.1040(3) 0.0368(11) Uani 1 1 d . . . . .
H19A H -0.059737 0.525533 0.086293 0.055 Uiso 1 1 calc R U . . .
H19B H -0.060904 0.611923 0.099583 0.055 Uiso 1 1 calc R U . . .
H19C H 0.002819 0.573602 0.049849 0.055 Uiso 1 1 calc R U . . .
C33 C 0.5074(3) 0.2577(2) 0.2497(4) 0.0421(12) Uani 1 1 d . . . . .
H33A H 0.546982 0.231536 0.224957 0.063 Uiso 1 1 calc R U . . .
H33B H 0.526312 0.296874 0.301065 0.063 Uiso 1 1 calc R U . . .
H33C H 0.479731 0.224093 0.288649 0.063 Uiso 1 1 calc R U . . .
C15 C 0.2245(3) 0.6795(2) 0.5650(5) 0.0548(11) Uani 1 1 d . . . . .
H15A H 0.269657 0.675022 0.617057 0.082 Uiso 1 1 calc R U . . .
H15B H 0.202860 0.726719 0.575537 0.082 Uiso 1 1 calc R U . . .
H15C H 0.192018 0.640697 0.579922 0.082 Uiso 1 1 calc R U . . .
C16 C 0.0498(2) 0.8327(2) 0.2204(5) 0.0419(13) Uani 1 1 d . . . . .
H16 H 0.091145 0.866947 0.233496 0.050 Uiso 1 1 calc R U . . .
C31 C 0.4595(2) 0.2896(2) 0.1479(4) 0.0304(10) Uani 1 1 d . . . . .
H31 H 0.488685 0.326174 0.114117 0.036 Uiso 1 1 calc R U . . .
C17 C 0.0167(3) 0.8371(3) 0.0956(4) 0.0518(10) Uani 1 1 d . . . . .
H17A H 0.000068 0.886679 0.077543 0.078 Uiso 1 1 calc R U . . .
H17B H 0.052606 0.823935 0.049231 0.078 Uiso 1 1 calc R U . . .
H17C H -0.023645 0.803451 0.080390 0.078 Uiso 1 1 calc R U . . .
C30 C 0.1712(3) 0.2983(3) 0.0624(4) 0.0476(13) Uani 1 1 d . . . . .
H30A H 0.174835 0.343834 0.021622 0.071 Uiso 1 1 calc R U . . .
H30B H 0.200519 0.261089 0.033919 0.071 Uiso 1 1 calc R U . . .
H30C H 0.121396 0.282348 0.051272 0.071 Uiso 1 1 calc R U . . .
C29 C 0.1919(3) 0.2397(2) 0.2497(4) 0.0426(12) Uani 1 1 d . . . . .
H29A H 0.142692 0.221795 0.233204 0.064 Uiso 1 1 calc R U . . .
H29B H 0.224065 0.203700 0.225160 0.064 Uiso 1 1 calc R U . . .
H29C H 0.205065 0.247844 0.330839 0.064 Uiso 1 1 calc R U . . .
C32 C 0.4368(3) 0.2320(2) 0.0578(4) 0.0424(12) Uani 1 1 d . . . . .
H32A H 0.406102 0.254279 -0.006558 0.064 Uiso 1 1 calc R U . . .
H32B H 0.479231 0.211553 0.032941 0.064 Uiso 1 1 calc R U . . .
H32C H 0.410575 0.193391 0.089133 0.064 Uiso 1 1 calc R U . . .
C42 C 0.4357(2) 0.5516(2) 0.3071(3) 0.0239(9) Uani 1 1 d . . . . .
H42A H 0.444501 0.594850 0.354619 0.036 Uiso 1 1 calc R U . . .
H42B H 0.479502 0.522743 0.313468 0.036 Uiso 1 1 calc R U . . .
H42C H 0.420784 0.566278 0.228520 0.036 Uiso 1 1 calc R U . . .
C43 C 0.3977(3) 0.4876(3) 0.4701(4) 0.0601(18) Uani 1 1 d . . . . .
H43A H 0.409997 0.532308 0.513087 0.090 Uiso 1 1 calc R U . . .
H43B H 0.357577 0.463784 0.496882 0.090 Uiso 1 1 calc R U . . .
H43C H 0.438979 0.454979 0.480249 0.090 Uiso 1 1 calc R U . . .
C108 C 0.3360(2) 0.4061(2) -0.1444(3) 0.0303(9) Uani 1 1 d . . . . .
H108 H 0.338318 0.351911 -0.142004 0.036 Uiso 1 1 calc R U . A 1
Sn2 Sn 0.23671(3) 0.59370(2) 0.17018(3) 0.01803(15) Uani 0.5979(9) 1 d . . P B
1
C102 C 0.2555(4) 0.5375(4) -0.1997(6) 0.0180(8) Uani 0.5979(9) 1 d . . P B 1
H10A H 0.207935 0.516988 -0.229075 0.022 Uiso 0.5979(9) 1 calc R U P B 1
H10B H 0.251994 0.591050 -0.202567 0.022 Uiso 0.5979(9) 1 calc R U P B 1
C120 C 0.2800(4) 0.5122(3) -0.0773(5) 0.0163(12) Uani 0.5979(9) 1 d . . P B 1
C106 C 0.3818(11) 0.5464(10) -0.2353(12) 0.0180(8) Uani 0.5979(9) 1 d . . P B 1
H10C H 0.377933 0.599972 -0.239652 0.022 Uiso 0.5979(9) 1 calc R U P B 1
H10D H 0.415738 0.530158 -0.284499 0.022 Uiso 0.5979(9) 1 calc R U P B 1
C104 C 0.4137(8) 0.4367(7) -0.1055(9) 0.022(3) Uani 0.5979(9) 1 d . . P B 1
H10E H 0.432904 0.419538 -0.028571 0.027 Uiso 0.5979(9) 1 calc R U P B 1
H10F H 0.445890 0.420069 -0.157181 0.027 Uiso 0.5979(9) 1 calc R U P B 1
C103 C 0.3096(8) 0.5116(7) -0.2709(11) 0.0163(12) Uani 0.5979(9) 1 d . . P B 1
H103 H 0.291937 0.527191 -0.350056 0.020 Uiso 0.5979(9) 1 calc R U P B 1
C105 C 0.4083(5) 0.5208(4) -0.1074(8) 0.021(2) Uani 0.5979(9) 1 d . . P B 1
H105 H 0.455916 0.542554 -0.078278 0.025 Uiso 0.5979(9) 1 calc R U P B 1
C107 C 0.3154(5) 0.4305(5) -0.2716(8) 0.0210(19) Uani 0.5979(9) 1 d . . P B 1
H10G H 0.352550 0.415079 -0.315460 0.025 Uiso 0.5979(9) 1 calc R U P B 1
H10H H 0.269370 0.408562 -0.305868 0.025 Uiso 0.5979(9) 1 calc R U P B 1
C100 C 0.3542(5) 0.5437(4) -0.0329(5) 0.0180(8) Uani 0.5979(9) 1 d . . P B 1
H10I H 0.351362 0.597305 -0.031081 0.022 Uiso 0.5979(9) 1 calc R U P B 1
H10J H 0.370395 0.526410 0.044977 0.022 Uiso 0.5979(9) 1 calc R U P B 1
C101 C 0.2863(4) 0.4291(4) -0.0770(5) 0.0180(8) Uani 0.5979(9) 1 d . . P B 1
H10K H 0.301464 0.411824 0.001159 0.022 Uiso 0.5979(9) 1 calc R U P B 1
H10L H 0.239113 0.407546 -0.105738 0.022 Uiso 0.5979(9) 1 calc R U P B 1
O100 O 0.1369(2) 0.5896(2) 0.0468(3) 0.0222(7) Uani 0.5979(9) 1 d . . P B 1
N100 N 0.2326(3) 0.5354(3) 0.0009(4) 0.0222(7) Uani 0.5979(9) 1 d . . P B 1
C110 C 0.1687(3) 0.5606(3) -0.0296(5) 0.0191(6) Uani 0.5979(9) 1 d . . P B 1
H110 H 0.145885 0.557992 -0.105791 0.023 Uiso 0.5979(9) 1 calc R U P B 1
Sn1 Sn 0.18148(4) 0.56837(4) 0.12283(5) 0.0230(3) Uani 0.4021(9) 1 d . . P B 2
O200 O 0.2686(3) 0.6470(3) 0.1747(5) 0.0191(6) Uani 0.4021(9) 1 d . U P B 2
N200 N 0.2854(4) 0.5602(4) 0.0561(6) 0.0199(17) Uani 0.4021(9) 1 d . . P B 2
C204 C 0.2741(6) 0.5570(5) -0.1503(8) 0.020(2) Uani 0.4021(9) 1 d . . P B 2
H20D H 0.222700 0.546102 -0.155334 0.024 Uiso 0.4021(9) 1 calc R U P B 2
H20E H 0.279762 0.610369 -0.151543 0.024 Uiso 0.4021(9) 1 calc R U P B 2
C200 C 0.3076(6) 0.6199(5) 0.1078(7) 0.025(2) Uani 0.4021(9) 1 d . U P B 2
H200 H 0.350879 0.642412 0.096546 0.030 Uiso 0.4021(9) 1 calc R U P B 2
C201 C 0.3145(8) 0.5271(6) -0.0393(9) 0.0234(19) Uani 0.4021(9) 1 d . . P B 2
C202 C 0.3948(7) 0.5422(5) -0.0328(9) 0.0236(17) Uani 0.4021(9) 1 d . . P B 2
H20F H 0.403010 0.595060 -0.037475 0.028 Uiso 0.4021(9) 1 calc R U P B 2
H20G H 0.421103 0.524463 0.039948 0.028 Uiso 0.4021(9) 1 calc R U P B 2
C206 C 0.3020(7) 0.4456(5) -0.0346(9) 0.0236(17) Uani 0.4021(9) 1 d . . P B 2
H20H H 0.250305 0.435337 -0.041734 0.028 Uiso 0.4021(9) 1 calc R U P B 2
H20I H 0.326161 0.425741 0.038142 0.028 Uiso 0.4021(9) 1 calc R U P B 2
C203 C 0.4216(9) 0.5038(8) -0.1293(13) 0.0234(19) Uani 0.4021(9) 1 d . . P B 2
H203 H 0.473907 0.512644 -0.124093 0.028 Uiso 0.4021(9) 1 calc R U P B 2
C205 C 0.3014(12) 0.5240(8) -0.2521(16) 0.024(4) Uani 0.4021(9) 1 d . . P B 2
H205 H 0.278091 0.545453 -0.325312 0.028 Uiso 0.4021(9) 1 calc R U P B 2
C211 C 0.2909(8) 0.4390(8) -0.2461(13) 0.026(3) Uani 0.4021(9) 1 d . . P B 2
H21A H 0.240050 0.428303 -0.244084 0.031 Uiso 0.4021(9) 1 calc R U P B 2
H21B H 0.303437 0.416403 -0.314900 0.031 Uiso 0.4021(9) 1 calc R U P B 2
C210 C 0.4080(14) 0.4239(12) -0.1283(18) 0.0234(19) Uani 0.4021(9) 1 d . . P B
2
H21C H 0.430075 0.400767 -0.188398 0.028 Uiso 0.4021(9) 1 calc R U P B 2
H21D H 0.431320 0.403681 -0.055354 0.028 Uiso 0.4021(9) 1 calc R U P B 2
C212 C 0.3850(17) 0.5362(14) -0.228(2) 0.042(6) Uani 0.4021(9) 1 d . . P B 2
H21E H 0.405224 0.517100 -0.293092 0.051 Uiso 0.4021(9) 1 calc R U P B 2
H21F H 0.394304 0.589056 -0.224108 0.051 Uiso 0.4021(9) 1 calc R U P B 2
C44 C -0.0032(3) 0.8557(2) 0.2967(5) 0.0548(11) Uani 1 1 d . . . . .
H44A H -0.021609 0.904177 0.274907 0.082 Uiso 1 1 calc R U . . .
H44B H -0.042833 0.821015 0.288853 0.082 Uiso 1 1 calc R U . . .
H44C H 0.020892 0.856494 0.375124 0.082 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
N N 0.0061 0.0033 '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'
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
C4 C3 C2 121.3(3) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C26 C25 C24 122.4(4) . . ?
C26 C25 H25 118.8 . . ?
C24 C25 H25 118.8 . . ?
C26 C21 C22 119.4(3) . . ?
C26 C21 C2 120.3(3) . . ?
C22 C21 C2 120.0(3) . . ?
C25 C26 C21 119.3(3) . . ?
C25 C26 C27 120.0(3) . . ?
C21 C26 C27 120.5(3) . . ?
C5 C6 C1 121.2(3) . . ?
C5 C6 C7 120.5(3) . . ?
C1 C6 C7 118.3(3) . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C25 C24 C23 117.8(3) . . ?
C25 C24 C31 118.8(4) . . ?
C23 C24 C31 123.4(3) . . ?
C8 C7 C12 120.1(3) . . ?
C8 C7 C6 120.1(3) . . ?
C12 C7 C6 119.7(3) . . ?
C6 C1 C2 118.5(3) . . ?
C6 C1 Sn1 107.1(2) . . ?
C2 C1 Sn1 131.8(2) . . ?
C6 C1 Sn2 111.3(2) . . ?
C2 C1 Sn2 127.7(3) . . ?
C9 C8 C7 118.7(3) . . ?
C9 C8 C18 119.9(3) . . ?
C7 C8 C18 121.4(3) . . ?
C9 C10 C11 118.1(3) . . ?
C9 C10 C16 120.9(4) . . ?
C11 C10 C16 120.9(4) . . ?
C10 C9 C8 122.3(4) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C8 C18 C19 113.6(3) . . ?
C8 C18 C20 110.3(3) . . ?
C19 C18 C20 109.7(3) . . ?
C8 C18 H18 107.7 . . ?
C19 C18 H18 107.7 . . ?
C20 C18 H18 107.7 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C12 C11 C10 122.1(4) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C3 C2 C1 119.3(3) . . ?
C3 C2 C21 116.4(3) . . ?
C1 C2 C21 124.1(3) . . ?
C24 C23 C22 121.9(3) . . ?
C24 C23 H23 119.0 . . ?
C22 C23 H23 119.0 . . ?
C29 C28 C22 112.6(3) . . ?
C29 C28 C30 109.0(3) . . ?
C22 C28 C30 111.7(3) . . ?
C29 C28 H28 107.8 . . ?
C22 C28 H28 107.8 . . ?
C30 C28 H28 107.8 . . ?
C23 C22 C21 119.1(3) . . ?
C23 C22 C28 119.2(3) . . ?
C21 C22 C28 121.7(3) . . ?
C26 C27 C43 109.6(3) . . ?
C26 C27 C42 115.0(3) . . ?
C43 C27 C42 109.6(3) . . ?
C26 C27 H27 107.5 . . ?
C43 C27 H27 107.5 . . ?
C42 C27 H27 107.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C12 C13 C14 114.1(3) . . ?
C12 C13 C15 110.0(4) . . ?
C14 C13 C15 109.8(4) . . ?
C12 C13 H13 107.5 . . ?
C14 C13 H13 107.5 . . ?
C15 C13 H13 107.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C12 C7 118.6(4) . . ?
C11 C12 C13 120.0(3) . . ?
C7 C12 C13 121.3(3) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C10 C16 C17 113.2(4) . . ?
C10 C16 C44 108.1(4) . . ?
C17 C16 C44 111.6(4) . . ?
C10 C16 H16 107.9 . . ?
C17 C16 H16 107.9 . . ?
C44 C16 H16 107.9 . . ?
C33 C31 C24 110.4(3) . . ?
C33 C31 C32 111.5(3) . . ?
C24 C31 C32 114.0(4) . . ?
C33 C31 H31 106.9 . . ?
C24 C31 H31 106.9 . . ?
C32 C31 H31 106.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C27 C42 H42A 109.5 . . ?
C27 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C27 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C27 C43 H43A 109.5 . . ?
C27 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C27 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C210 C108 C211 115.9(12) . . ?
C101 C108 C107 112.9(5) . . ?
C101 C108 C104 113.9(5) . . ?
C107 C108 C104 104.9(6) . . ?
C210 C108 C206 106.2(9) . . ?
C211 C108 C206 102.7(7) . . ?
C101 C108 H108 108.3 . . ?
C107 C108 H108 108.3 . . ?
C104 C108 H108 108.3 . . ?
O100 Sn2 C1 95.18(15) . . ?
O100 Sn2 N100 59.11(17) . . ?
C1 Sn2 N100 106.28(16) . . ?
O100 Sn2 C110 29.74(17) . . ?
C1 Sn2 C110 105.91(16) . . ?
N100 Sn2 C110 29.79(18) . . ?
C103 C102 C120 108.5(7) . . ?
C103 C102 H10A 110.0 . . ?
C120 C102 H10A 110.0 . . ?
C103 C102 H10B 110.0 . . ?
C120 C102 H10B 110.0 . . ?
H10A C102 H10B 108.4 . . ?
N100 C120 C101 110.0(5) . . ?
N100 C120 C100 106.9(6) . . ?
C101 C120 C100 108.0(6) . . ?
N100 C120 C102 113.8(5) . . ?
C101 C120 C102 108.3(5) . . ?
C100 C120 C102 109.6(5) . . ?
C103 C106 C105 105.8(13) . . ?
C103 C106 H10C 110.6 . . ?
C105 C106 H10C 110.6 . . ?
C103 C106 H10D 110.6 . . ?
C105 C106 H10D 110.6 . . ?
H10C C106 H10D 108.7 . . ?
C105 C104 C108 107.2(10) . . ?
C105 C104 H10E 110.3 . . ?
C108 C104 H10E 110.3 . . ?
C105 C104 H10F 110.3 . . ?
C108 C104 H10F 110.3 . . ?
H10E C104 H10F 108.5 . . ?
C107 C103 C106 111.2(12) . . ?
C107 C103 C102 112.0(10) . . ?
C106 C103 C102 112.0(10) . . ?
C107 C103 H103 107.1 . . ?
C106 C103 H103 107.1 . . ?
C102 C103 H103 107.1 . . ?
C100 C105 C104 108.4(7) . . ?
C100 C105 C106 110.2(10) . . ?
C104 C105 C106 108.5(8) . . ?
C100 C105 H105 109.9 . . ?
C104 C105 H105 109.9 . . ?
C106 C105 H105 109.9 . . ?
C103 C107 C108 106.5(8) . . ?
C103 C107 H10G 110.4 . . ?
C108 C107 H10G 110.4 . . ?
C103 C107 H10H 110.4 . . ?
C108 C107 H10H 110.4 . . ?
H10G C107 H10H 108.6 . . ?
C105 C100 C120 111.0(5) . . ?
C105 C100 H10I 109.4 . . ?
C120 C100 H10I 109.4 . . ?
C105 C100 H10J 109.4 . . ?
C120 C100 H10J 109.4 . . ?
H10I C100 H10J 108.0 . . ?
C108 C101 C120 110.9(5) . . ?
C108 C101 H10K 109.5 . . ?
C120 C101 H10K 109.5 . . ?
C108 C101 H10L 109.5 . . ?
C120 C101 H10L 109.5 . . ?
H10K C101 H10L 108.0 . . ?
C110 O100 Sn2 92.4(4) . . ?
C110 N100 C120 124.5(5) . . ?
C110 N100 Sn2 88.7(4) . . ?
C120 N100 Sn2 140.4(4) . . ?
O100 C110 N100 118.2(5) . . ?
O100 C110 Sn2 57.9(3) . . ?
N100 C110 Sn2 61.5(3) . . ?
O100 C110 H110 120.9 . . ?
N100 C110 H110 120.9 . . ?
Sn2 C110 H110 168.9 . . ?
O200 Sn1 C1 92.55(18) . . ?
O200 Sn1 N200 59.0(2) . . ?
C1 Sn1 N200 105.1(2) . . ?
O200 Sn1 C200 29.4(2) . . ?
C1 Sn1 C200 102.2(2) . . ?
N200 Sn1 C200 29.8(3) . . ?
C200 O200 Sn1 92.9(6) . . ?
C200 N200 C201 125.8(9) . . ?
C200 N200 Sn1 90.4(6) . . ?
C201 N200 Sn1 139.6(8) . . ?
C205 C204 C201 111.7(10) . . ?
C205 C204 H20D 109.3 . . ?
C201 C204 H20D 109.3 . . ?
C205 C204 H20E 109.3 . . ?
C201 C204 H20E 109.3 . . ?
H20D C204 H20E 107.9 . . ?
O200 C200 N200 117.0(10) . . ?
O200 C200 Sn1 57.7(5) . . ?
N200 C200 Sn1 59.7(6) . . ?
O200 C200 H200 121.5 . . ?
N200 C200 H200 121.5 . . ?
Sn1 C200 H200 173.6 . . ?
N200 C201 C206 107.2(8) . . ?
N200 C201 C204 109.3(8) . . ?
C206 C201 C204 109.1(10) . . ?
N200 C201 C202 112.2(10) . . ?
C206 C201 C202 109.6(9) . . ?
C204 C201 C202 109.3(9) . . ?
C203 C202 C201 109.3(10) . . ?
C203 C202 H20F 109.8 . . ?
C201 C202 H20F 109.8 . . ?
C203 C202 H20G 109.8 . . ?
C201 C202 H20G 109.8 . . ?
H20F C202 H20G 108.3 . . ?
C201 C206 C108 107.9(7) . . ?
C201 C206 H20H 110.1 . . ?
C108 C206 H20H 110.1 . . ?
C201 C206 H20I 110.1 . . ?
C108 C206 H20I 110.1 . . ?
H20H C206 H20I 108.4 . . ?
C212 C203 C210 111.2(17) . . ?
C212 C203 C202 105.6(17) . . ?
C210 C203 C202 111.9(13) . . ?
C212 C203 H203 109.4 . . ?
C210 C203 H203 109.4 . . ?
C202 C203 H203 109.4 . . ?
C204 C205 C212 105.0(17) . . ?
C204 C205 C211 107.1(13) . . ?
C212 C205 C211 105.2(15) . . ?
C204 C205 H205 113.0 . . ?
C212 C205 H205 113.0 . . ?
C211 C205 H205 113.0 . . ?
C108 C211 C205 112.1(13) . . ?
C108 C211 H21A 109.2 . . ?
C205 C211 H21A 109.2 . . ?
C108 C211 H21B 109.2 . . ?
C205 C211 H21B 109.2 . . ?
H21A C211 H21B 107.9 . . ?
C108 C210 C203 113.5(18) . . ?
C108 C210 H21C 108.9 . . ?
C203 C210 H21C 108.9 . . ?
C108 C210 H21D 108.9 . . ?
C203 C210 H21D 108.9 . . ?
H21C C210 H21D 107.7 . . ?
C203 C212 C205 116(2) . . ?
C203 C212 H21E 108.3 . . ?
C205 C212 H21E 108.3 . . ?
C203 C212 H21F 108.3 . . ?
C205 C212 H21F 108.3 . . ?
H21E C212 H21F 107.4 . . ?
C16 C44 H44A 109.5 . . ?
C16 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C16 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
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
C3 C4 1.387(5) . ?
C3 C2 1.403(5) . ?
C3 H3 0.9500 . ?
C25 C26 1.389(5) . ?
C25 C24 1.391(5) . ?
C25 H25 0.9500 . ?
C21 C26 1.408(5) . ?
C21 C22 1.412(5) . ?
C21 C2 1.500(5) . ?
C26 C27 1.525(5) . ?
C6 C5 1.395(5) . ?
C6 C1 1.405(5) . ?
C6 C7 1.507(5) . ?
C4 C5 1.386(5) . ?
C4 H4 0.9500 . ?
C24 C23 1.394(5) . ?
C24 C31 1.527(5) . ?
C7 C8 1.408(5) . ?
C7 C12 1.410(5) . ?
C1 C2 1.412(5) . ?
C1 Sn1 2.233(3) . ?
C1 Sn2 2.258(3) . ?
C8 C9 1.392(5) . ?
C8 C18 1.513(5) . ?
C10 C9 1.381(5) . ?
C10 C11 1.395(6) . ?
C10 C16 1.518(5) . ?
C9 H9 0.9500 . ?
C18 C19 1.525(5) . ?
C18 C20 1.529(6) . ?
C18 H18 1.0000 . ?
C5 H5 0.9500 . ?
C11 C12 1.392(5) . ?
C11 H11 0.9500 . ?
C23 C22 1.398(5) . ?
C23 H23 0.9500 . ?
C28 C29 1.513(5) . ?
C28 C22 1.524(5) . ?
C28 C30 1.524(6) . ?
C28 H28 1.0000 . ?
C27 C43 1.526(6) . ?
C27 C42 1.527(5) . ?
C27 H27 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C13 C12 1.523(6) . ?
C13 C14 1.528(6) . ?
C13 C15 1.533(6) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C33 C31 1.520(6) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.532(7) . ?
C16 C44 1.530(7) . ?
C16 H16 1.0000 . ?
C31 C32 1.528(6) . ?
C31 H31 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C108 C210 1.39(2) . ?
C108 C101 1.407(8) . ?
C108 C211 1.503(17) . ?
C108 C107 1.583(10) . ?
C108 C104 1.578(14) . ?
C108 C206 1.725(11) . ?
C108 H108 1.0000 . ?
Sn2 O100 2.211(4) . ?
Sn2 N100 2.294(5) . ?
C102 C103 1.519(12) . ?
C102 C120 1.543(9) . ?
C102 H10A 0.9900 . ?
C102 H10B 0.9900 . ?
C120 N100 1.469(8) . ?
C120 C101 1.537(9) . ?
C120 C100 1.537(10) . ?
C106 C103 1.51(2) . ?
C106 C105 1.611(19) . ?
C106 H10C 0.9900 . ?
C106 H10D 0.9900 . ?
C104 C105 1.552(13) . ?
C104 H10E 0.9900 . ?
C104 H10F 0.9900 . ?
C103 C107 1.498(16) . ?
C103 H103 1.0000 . ?
C105 C100 1.529(11) . ?
C105 H105 1.0000 . ?
C107 H10G 0.9900 . ?
C107 H10H 0.9900 . ?
C100 H10I 0.9900 . ?
C100 H10J 0.9900 . ?
C101 H10K 0.9900 . ?
C101 H10L 0.9900 . ?
O100 C110 1.295(7) . ?
N100 C110 1.296(8) . ?
C110 H110 0.9500 . ?
Sn1 O200 2.211(6) . ?
Sn1 N200 2.256(8) . ?
O200 C200 1.282(11) . ?
N200 C200 1.300(12) . ?
N200 C201 1.484(12) . ?
C204 C205 1.532(15) . ?
C204 C201 1.530(14) . ?
C204 H20D 0.9900 . ?
C204 H20E 0.9900 . ?
C200 H200 0.9500 . ?
C201 C206 1.524(15) . ?
C201 C202 1.539(16) . ?
C202 C203 1.517(14) . ?
C202 H20F 0.9900 . ?
C202 H20G 0.9900 . ?
C206 H20H 0.9900 . ?
C206 H20I 0.9900 . ?
C203 C212 1.41(3) . ?
C203 C210 1.50(2) . ?
C203 H203 1.0000 . ?
C205 C212 1.58(4) . ?
C205 C211 1.58(2) . ?
C205 H205 1.0000 . ?
C211 H21A 0.9900 . ?
C211 H21B 0.9900 . ?
C210 H21C 0.9900 . ?
C210 H21D 0.9900 . ?
C212 H21E 0.9900 . ?
C212 H21F 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
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
C24 C25 C26 C21 -0.2(5) . . . . ?
C24 C25 C26 C27 173.9(3) . . . . ?
C22 C21 C26 C25 -2.2(5) . . . . ?
C2 C21 C26 C25 172.0(3) . . . . ?
C22 C21 C26 C27 -176.3(3) . . . . ?
C2 C21 C26 C27 -2.0(5) . . . . ?
C2 C3 C4 C5 -2.2(6) . . . . ?
C26 C25 C24 C23 1.7(5) . . . . ?
C26 C25 C24 C31 -176.7(3) . . . . ?
C5 C6 C7 C8 -87.8(4) . . . . ?
C1 C6 C7 C8 94.5(4) . . . . ?
C5 C6 C7 C12 94.6(4) . . . . ?
C1 C6 C7 C12 -83.1(4) . . . . ?
C5 C6 C1 C2 -2.5(6) . . . . ?
C7 C6 C1 C2 175.2(3) . . . . ?
C5 C6 C1 Sn1 161.4(3) . . . . ?
C7 C6 C1 Sn1 -20.9(4) . . . . ?
C5 C6 C1 Sn2 -165.9(3) . . . . ?
C7 C6 C1 Sn2 11.7(4) . . . . ?
C12 C7 C8 C9 1.7(5) . . . . ?
C6 C7 C8 C9 -176.0(3) . . . . ?
C12 C7 C8 C18 -177.3(3) . . . . ?
C6 C7 C8 C18 5.1(5) . . . . ?
C11 C10 C9 C8 -2.2(6) . . . . ?
C16 C10 C9 C8 -179.1(4) . . . . ?
C7 C8 C9 C10 0.4(6) . . . . ?
C18 C8 C9 C10 179.4(4) . . . . ?
C9 C8 C18 C19 37.2(5) . . . . ?
C7 C8 C18 C19 -143.8(4) . . . . ?
C9 C8 C18 C20 -86.5(4) . . . . ?
C7 C8 C18 C20 92.5(4) . . . . ?
C3 C4 C5 C6 2.2(6) . . . . ?
C1 C6 C5 C4 0.1(6) . . . . ?
C7 C6 C5 C4 -177.5(3) . . . . ?
C9 C10 C11 C12 2.0(6) . . . . ?
C16 C10 C11 C12 178.9(4) . . . . ?
C4 C3 C2 C1 -0.2(5) . . . . ?
C4 C3 C2 C21 175.6(3) . . . . ?
C6 C1 C2 C3 2.5(5) . . . . ?
Sn1 C1 C2 C3 -156.7(3) . . . . ?
Sn2 C1 C2 C3 162.9(3) . . . . ?
C6 C1 C2 C21 -173.0(3) . . . . ?
Sn1 C1 C2 C21 27.9(6) . . . . ?
Sn2 C1 C2 C21 -12.6(5) . . . . ?
C26 C21 C2 C3 -104.9(4) . . . . ?
C22 C21 C2 C3 69.4(4) . . . . ?
C26 C21 C2 C1 70.7(5) . . . . ?
C22 C21 C2 C1 -115.1(4) . . . . ?
C25 C24 C23 C22 -0.8(5) . . . . ?
C31 C24 C23 C22 177.5(3) . . . . ?
C24 C23 C22 C21 -1.6(5) . . . . ?
C24 C23 C22 C28 177.9(3) . . . . ?
C26 C21 C22 C23 3.1(5) . . . . ?
C2 C21 C22 C23 -171.2(3) . . . . ?
C26 C21 C22 C28 -176.4(3) . . . . ?
C2 C21 C22 C28 9.3(5) . . . . ?
C29 C28 C22 C23 65.6(5) . . . . ?
C30 C28 C22 C23 -57.4(5) . . . . ?
C29 C28 C22 C21 -114.9(4) . . . . ?
C30 C28 C22 C21 122.0(4) . . . . ?
C25 C26 C27 C43 -88.5(4) . . . . ?
C21 C26 C27 C43 85.5(5) . . . . ?
C25 C26 C27 C42 35.4(5) . . . . ?
C21 C26 C27 C42 -150.6(3) . . . . ?
C10 C11 C12 C7 0.0(6) . . . . ?
C10 C11 C12 C13 -176.1(4) . . . . ?
C8 C7 C12 C11 -1.9(5) . . . . ?
C6 C7 C12 C11 175.8(3) . . . . ?
C8 C7 C12 C13 174.2(3) . . . . ?
C6 C7 C12 C13 -8.2(5) . . . . ?
C14 C13 C12 C11 -37.7(5) . . . . ?
C15 C13 C12 C11 86.3(4) . . . . ?
C14 C13 C12 C7 146.3(4) . . . . ?
C15 C13 C12 C7 -89.8(4) . . . . ?
C9 C10 C16 C17 -46.2(5) . . . . ?
C11 C10 C16 C17 137.0(4) . . . . ?
C9 C10 C16 C44 78.0(5) . . . . ?
C11 C10 C16 C44 -98.8(5) . . . . ?
C25 C24 C31 C33 73.7(4) . . . . ?
C23 C24 C31 C33 -104.6(4) . . . . ?
C25 C24 C31 C32 -160.0(4) . . . . ?
C23 C24 C31 C32 21.8(5) . . . . ?
C103 C102 C120 N100 178.8(7) . . . . ?
C103 C102 C120 C101 -58.5(9) . . . . ?
C103 C102 C120 C100 59.1(9) . . . . ?
C101 C108 C104 C105 -58.2(8) . . . . ?
C107 C108 C104 C105 65.8(7) . . . . ?
C105 C106 C103 C107 -63.8(13) . . . . ?
C105 C106 C103 C102 62.3(15) . . . . ?
C120 C102 C103 C107 61.2(12) . . . . ?
C120 C102 C103 C106 -64.5(13) . . . . ?
C108 C104 C105 C100 56.1(9) . . . . ?
C108 C104 C105 C106 -63.6(12) . . . . ?
C103 C106 C105 C100 -58.1(13) . . . . ?
C103 C106 C105 C104 60.4(14) . . . . ?
C106 C103 C107 C108 68.7(11) . . . . ?
C102 C103 C107 C108 -57.4(12) . . . . ?
C101 C108 C107 C103 57.8(9) . . . . ?
C104 C108 C107 C103 -66.8(9) . . . . ?
C104 C105 C100 C120 -61.1(9) . . . . ?
C106 C105 C100 C120 57.5(10) . . . . ?
N100 C120 C100 C105 178.5(5) . . . . ?
C101 C120 C100 C105 60.1(7) . . . . ?
C102 C120 C100 C105 -57.7(7) . . . . ?
C107 C108 C101 C120 -59.9(7) . . . . ?
C104 C108 C101 C120 59.6(8) . . . . ?
N100 C120 C101 C108 -175.2(5) . . . . ?
C100 C120 C101 C108 -58.8(7) . . . . ?
C102 C120 C101 C108 59.8(7) . . . . ?
C101 C120 N100 C110 -107.5(7) . . . . ?
C100 C120 N100 C110 135.4(6) . . . . ?
C102 C120 N100 C110 14.2(9) . . . . ?
C101 C120 N100 Sn2 110.5(7) . . . . ?
C100 C120 N100 Sn2 -6.6(8) . . . . ?
C102 C120 N100 Sn2 -127.8(6) . . . . ?
Sn2 O100 C110 N100 12.9(6) . . . . ?
C120 N100 C110 O100 -169.3(6) . . . . ?
Sn2 N100 C110 O100 -12.4(6) . . . . ?
C120 N100 C110 Sn2 -156.9(7) . . . . ?
Sn1 O200 C200 N200 -7.5(8) . . . . ?
C201 N200 C200 O200 168.1(9) . . . . ?
Sn1 N200 C200 O200 7.3(8) . . . . ?
C201 N200 C200 Sn1 160.8(10) . . . . ?
C200 N200 C201 C206 152.0(10) . . . . ?
Sn1 N200 C201 C206 -58.4(13) . . . . ?
C200 N200 C201 C204 -89.9(13) . . . . ?
Sn1 N200 C201 C204 59.7(13) . . . . ?
C200 N200 C201 C202 31.6(13) . . . . ?
Sn1 N200 C201 C202 -178.8(7) . . . . ?
C205 C204 C201 N200 -179.3(12) . . . . ?
C205 C204 C201 C206 -62.4(13) . . . . ?
C205 C204 C201 C202 57.4(14) . . . . ?
N200 C201 C202 C203 177.2(9) . . . . ?
C206 C201 C202 C203 58.2(12) . . . . ?
C204 C201 C202 C203 -61.3(12) . . . . ?
N200 C201 C206 C108 -179.6(8) . . . . ?
C204 C201 C206 C108 62.1(11) . . . . ?
C202 C201 C206 C108 -57.6(11) . . . . ?
C210 C108 C206 C201 59.1(14) . . . . ?
C211 C108 C206 C201 -62.9(11) . . . . ?
C201 C202 C203 C212 63.7(17) . . . . ?
C201 C202 C203 C210 -57.4(16) . . . . ?
C201 C204 C205 C212 -52.3(17) . . . . ?
C201 C204 C205 C211 59.2(17) . . . . ?
C210 C108 C211 C205 -51.4(14) . . . . ?
C206 C108 C211 C205 63.8(11) . . . . ?
C204 C205 C211 C108 -64.5(16) . . . . ?
C212 C205 C211 C108 46.8(17) . . . . ?
C211 C108 C210 C203 52.7(16) . . . . ?
C206 C108 C210 C203 -60.5(15) . . . . ?
C212 C203 C210 C108 -54(2) . . . . ?
C202 C203 C210 C108 63.6(18) . . . . ?
C210 C203 C212 C205 56(3) . . . . ?
C202 C203 C212 C205 -65(2) . . . . ?
C204 C205 C212 C203 60(2) . . . . ?
C211 C205 C212 C203 -53(2) . . . . ?
