#------------------------------------------------------------------------------
#$Date: 2025-11-29 22:02:34 +0100 (Sat 29 de Nov de 2025) $
#$Revision: 303813 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/93/7719379.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_7719379
loop_
_publ_author_name
'Chlebík, Richard'
'Kertész, Erik'
'Erben, Milan'
'Růžička, Aleš'
'Jambor, Roman'
'Benkő, Zoltán'
'Dostál, Libor'
_publ_section_title
;
 Remarkable coordination variability of the P,C,P-pincer ligand in
 organotin(IV) compounds - a promising outlook for other p-block elements.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15093
_journal_page_last               15106
_journal_paper_doi               10.1039/d5dt01873k
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C32 H12 B F24, C34 H49 O2 P2 Sn'
_chemical_formula_sum            'C66 H61 B F24 O2 P2 Sn'
_chemical_formula_weight         1533.58
_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           'APEX3 v2016.5-0'
_audit_update_record
;
2025-07-02 deposited with the CCDC.	2025-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.3630(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.9081(5)
_cell_length_b                   17.7660(5)
_cell_length_c                   19.1265(4)
_cell_measurement_reflns_used    205444
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      1
_cell_volume                     6882.5(3)
_computing_cell_refinement       'APEX3 v2016.5-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service vV6.2.3'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics    'Platon (Spek, 2009)'
_computing_publication_material  'Platon (Spek, 2009)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'XT, VERSION 2014/5'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker D8 - Venture'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0706
_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            202285
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.305
_diffrn_reflns_theta_min         2.315
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector
scaling and absorption correction
Reference: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_description       block
_exptl_crystal_F_000             3096
_exptl_crystal_size_max          0.592
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.158
_refine_diff_density_max         1.356
_refine_diff_density_min         -1.702
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1177
_refine_ls_number_reflns         16832
_refine_ls_number_restraints     1229
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0641
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1071P)²+12.0666P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1701
_refine_ls_wR_factor_ref         0.1950
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13127
_reflns_number_total             16832
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt01873k2.cif
_cod_data_source_block           1BArF
_cod_depositor_comments
'Adding full bibliography for 7719373--7719382.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7719379
_shelx_shelxl_version_number     2019/1
_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.
;
_exptl_absorpt_special_details
;
The ratio of minimum to maximum
apparent transmission was 0.950
;
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
Sn1 Sn 0.76424(4) 0.26557(15) 0.41510(7) 0.0281(3) Uani 0.638(8) 1 d . . P A 1
P1 P 0.89726(11) 0.28412(13) 0.48877(11) 0.0362(4) Uani 0.606(3) 1 d . . P A 1
P2 P 0.63712(7) 0.24252(10) 0.42809(11) 0.0327(4) Uani 0.606(3) 1 d . . P A 1
O1 O 0.89531(18) 0.2095(2) 0.5382(2) 0.0415(9) Uani 0.606(3) 1 d . . P A 1
O2 O 0.6579(2) 0.2009(3) 0.5062(3) 0.0540(11) Uani 0.606(3) 1 d . . P A 1
C1 C 0.7759(2) 0.2099(3) 0.5168(3) 0.0289(10) Uani 0.606(3) 1 d . . P A 1
C2 C 0.8376(3) 0.1899(3) 0.5583(3) 0.0326(10) Uani 0.606(3) 1 d . . P A 1
C3 C 0.8467(3) 0.1486(3) 0.6217(3) 0.0410(12) Uani 0.606(3) 1 d . . P A 1
H3 H 0.889840 0.136487 0.649394 0.049 Uiso 0.606(3) 1 calc R U P A 1
C4 C 0.7903(4) 0.1248(4) 0.6441(4) 0.0410(14) Uani 0.606(3) 1 d . . P A 1
H4 H 0.795201 0.095593 0.686684 0.049 Uiso 0.606(3) 1 calc R U P A 1
C5 C 0.7302(3) 0.1437(3) 0.6052(3) 0.0467(13) Uani 0.606(3) 1 d . . P A 1
H5 H 0.692360 0.129015 0.620973 0.056 Uiso 0.606(3) 1 calc R U P A 1
C6 C 0.7226(3) 0.1848(3) 0.5416(3) 0.0386(11) Uani 0.606(3) 1 d . . P A 1
C15 C 0.5835(4) 0.1721(5) 0.3711(5) 0.0649(19) Uani 0.606(3) 1 d . . P A 1
C16 C 0.6224(4) 0.0986(5) 0.3846(7) 0.088(3) Uani 0.606(3) 1 d . . P A 1
H16A H 0.596622 0.058349 0.355644 0.132 Uiso 0.606(3) 1 calc R U P A 1
H16B H 0.631361 0.085496 0.435858 0.132 Uiso 0.606(3) 1 calc R U P A 1
H16C H 0.664265 0.104776 0.370849 0.132 Uiso 0.606(3) 1 calc R U P A 1
C17 C 0.5166(4) 0.1600(5) 0.3888(6) 0.079(3) Uani 0.606(3) 1 d . . P A 1
H17A H 0.494807 0.115947 0.362602 0.119 Uiso 0.606(3) 1 calc R U P A 1
H17B H 0.488885 0.204608 0.374384 0.119 Uiso 0.606(3) 1 calc R U P A 1
H17C H 0.523505 0.151866 0.440840 0.119 Uiso 0.606(3) 1 calc R U P A 1
C18 C 0.5768(5) 0.1939(7) 0.2933(6) 0.087(3) Uani 0.606(3) 1 d . . P A 1
H18A H 0.547574 0.158167 0.261641 0.131 Uiso 0.606(3) 1 calc R U P A 1
H18B H 0.620391 0.193094 0.282872 0.131 Uiso 0.606(3) 1 calc R U P A 1
H18C H 0.558138 0.244697 0.284891 0.131 Uiso 0.606(3) 1 calc R U P A 1
C19 C 0.5923(3) 0.3250(4) 0.4528(4) 0.0448(14) Uani 0.606(3) 1 d . . P A 1
C20 C 0.5491(4) 0.3043(5) 0.5042(5) 0.067(2) Uani 0.606(3) 1 d . . P A 1
H20A H 0.531480 0.350332 0.520695 0.101 Uiso 0.606(3) 1 calc R U P A 1
H20B H 0.575743 0.277091 0.545946 0.101 Uiso 0.606(3) 1 calc R U P A 1
H20C H 0.512480 0.272323 0.478861 0.101 Uiso 0.606(3) 1 calc R U P A 1
C21 C 0.5514(3) 0.3630(5) 0.3851(5) 0.0649(19) Uani 0.606(3) 1 d . . P A 1
H21A H 0.529047 0.407113 0.398702 0.097 Uiso 0.606(3) 1 calc R U P A 1
H21B H 0.518427 0.327481 0.358364 0.097 Uiso 0.606(3) 1 calc R U P A 1
H21C H 0.580372 0.378863 0.354671 0.097 Uiso 0.606(3) 1 calc R U P A 1
C22 C 0.6474(3) 0.3799(4) 0.4924(4) 0.0531(16) Uani 0.606(3) 1 d . . P A 1
H22A H 0.627200 0.423850 0.509308 0.080 Uiso 0.606(3) 1 calc R U P A 1
H22B H 0.673517 0.396130 0.459162 0.080 Uiso 0.606(3) 1 calc R U P A 1
H22C H 0.676096 0.354141 0.533835 0.080 Uiso 0.606(3) 1 calc R U P A 1
C23 C 0.74727(18) 0.37454(19) 0.3640(2) 0.0299(12) Uani 0.603(5) 1 d G . P A 1
C24 C 0.69152(17) 0.38103(18) 0.3069(2) 0.0388(12) Uani 0.603(5) 1 d G . P A 1
H24 H 0.662665 0.339307 0.293480 0.047 Uiso 0.603(5) 1 calc R U P A 1
C25 C 0.67798(17) 0.4486(2) 0.2695(2) 0.0464(13) Uani 0.603(5) 1 d G . P A 1
H25 H 0.639871 0.453017 0.230473 0.056 Uiso 0.603(5) 1 calc R U P A 1
C26 C 0.7202(2) 0.50963(18) 0.2891(2) 0.0457(15) Uani 0.603(5) 1 d G . P A 1
H26 H 0.710937 0.555796 0.263522 0.055 Uiso 0.603(5) 1 calc R U P A 1
C27 C 0.7759(2) 0.5031(2) 0.3462(2) 0.0514(16) Uani 0.603(5) 1 d G . P A 1
H27 H 0.804798 0.544867 0.359579 0.062 Uiso 0.603(5) 1 calc R U P A 1
C28 C 0.78949(18) 0.4356(2) 0.3836(2) 0.0433(13) Uani 0.603(5) 1 d G . P A 1
H28 H 0.827593 0.431158 0.422587 0.052 Uiso 0.603(5) 1 calc R U P A 1
F7 F 0.0722(9) 0.3981(13) 0.2911(10) 0.0540(14) Uani 0.181(3) 1 d . . P B 1
F8 F -0.0050(7) 0.3908(12) 0.2013(9) 0.0540(14) Uani 0.181(3) 1 d . . P B 1
F9 F 0.0414(8) 0.5004(8) 0.2278(9) 0.0540(14) Uani 0.181(3) 1 d . . P B 1
F10 F 0.0649(4) 0.4992(5) -0.0242(3) 0.0606(5) Uani 0.453(8) 1 d . . P C 1
F11 F 0.1127(7) 0.4045(9) -0.0566(8) 0.058(2) Uani 0.453(8) 1 d . . P C 1
F14 F 0.4445(3) 0.4499(4) 0.0863(3) 0.0829(7) Uani 0.617(3) 1 d . . P D 1
F15 F 0.4823(3) 0.3508(3) 0.1187(3) 0.0829(7) Uani 0.617(3) 1 d . . P D 1
F17 F 0.3833(2) 0.5672(2) 0.3349(2) 0.0556(5) Uani 0.617(3) 1 d . . P D 1
F18 F 0.43823(18) 0.4865(3) 0.4050(2) 0.0630(12) Uani 0.617(3) 1 d . . P D 1
F22 F 0.4636(4) 0.1541(4) 0.1205(6) 0.0638(19) Uani 0.61(2) 1 d . . P E 1
F23 F 0.4282(3) 0.0586(6) 0.0572(5) 0.062(2) Uani 0.61(2) 1 d . . P E 1
F24 F 0.4297(7) 0.0643(8) 0.1703(7) 0.080(3) Uani 0.61(2) 1 d . . P E 1
F1 F 0.31414(16) 0.1252(3) 0.48739(16) 0.0863(15) Uani 0.900(8) 1 d . . P F 1
F2 F 0.3715(3) 0.2132(3) 0.4591(2) 0.0943(15) Uani 0.900(8) 1 d . . P F 1
F3 F 0.3818(2) 0.1031(4) 0.4243(2) 0.0958(17) Uani 0.900(8) 1 d . . P F 1
Sn1A Sn 0.75771(8) 0.2404(2) 0.42710(13) 0.0297(4) Uani 0.362(8) 1 d . . P A 2
P2A P 0.62508(11) 0.27004(16) 0.39768(17) 0.0334(5) Uani 0.394(3) 1 d . . P A 2
P1A P 0.8862(2) 0.3014(3) 0.4640(3) 0.0617(11) Uani 0.394(3) 1 d . . P A 2
O2A O 0.6292(3) 0.3522(4) 0.3606(4) 0.0483(15) Uani 0.394(3) 1 d . . P A 2
C1A C 0.7488(5) 0.3543(5) 0.3847(5) 0.0327(18) Uani 0.394(3) 1 d . . P A 2
C2A C 0.8033(5) 0.3953(6) 0.3756(5) 0.0462(19) Uani 0.394(3) 1 d . . P A 2
O1A O 0.8676(4) 0.3660(5) 0.4012(4) 0.0608(18) Uani 0.394(3) 1 d . . P A 2
C3A C 0.7982(6) 0.4633(7) 0.3413(6) 0.057(2) Uani 0.394(3) 1 d . . P A 2
H3A H 0.836722 0.487949 0.335210 0.068 Uiso 0.394(3) 1 calc R U P A 2
C4A C 0.7390(8) 0.4950(8) 0.3162(8) 0.062(3) Uani 0.394(3) 1 d . . P A 2
H4A H 0.735572 0.544572 0.297025 0.074 Uiso 0.394(3) 1 calc R U P A 2
C5A C 0.6804(6) 0.4533(6) 0.3187(7) 0.056(2) Uani 0.394(3) 1 d . . P A 2
H5A H 0.637886 0.471910 0.295438 0.068 Uiso 0.394(3) 1 calc R U P A 2
C6A C 0.6875(5) 0.3858(5) 0.3554(5) 0.0409(17) Uani 0.394(3) 1 d . . P A 2
C15A C 0.5656(5) 0.2183(7) 0.3259(8) 0.059(2) Uani 0.394(3) 1 d . . P A 2
C16A C 0.5682(7) 0.1357(8) 0.3443(9) 0.081(4) Uani 0.394(3) 1 d . . P A 2
H16D H 0.533663 0.109023 0.308957 0.121 Uiso 0.394(3) 1 calc R U P A 2
H16E H 0.561098 0.129004 0.392634 0.121 Uiso 0.394(3) 1 calc R U P A 2
H16F H 0.611504 0.115409 0.343121 0.121 Uiso 0.394(3) 1 calc R U P A 2
C17A C 0.4934(6) 0.2484(7) 0.3103(9) 0.073(3) Uani 0.394(3) 1 d . . P A 2
H17D H 0.466008 0.221859 0.268602 0.109 Uiso 0.394(3) 1 calc R U P A 2
H17E H 0.493077 0.302475 0.299857 0.109 Uiso 0.394(3) 1 calc R U P A 2
H17F H 0.475777 0.239967 0.352559 0.109 Uiso 0.394(3) 1 calc R U P A 2
C18A C 0.5910(8) 0.2305(11) 0.2571(9) 0.087(4) Uani 0.394(3) 1 d . . P A 2
H18D H 0.559363 0.209117 0.215312 0.131 Uiso 0.394(3) 1 calc R U P A 2
H18E H 0.633893 0.205627 0.263110 0.131 Uiso 0.394(3) 1 calc R U P A 2
H18F H 0.595941 0.284554 0.249531 0.131 Uiso 0.394(3) 1 calc R U P A 2
C19A C 0.5909(5) 0.2981(6) 0.4748(6) 0.041(2) Uani 0.394(3) 1 d . . P A 2
C20A C 0.5629(7) 0.2290(7) 0.5085(8) 0.069(3) Uani 0.394(3) 1 d . . P A 2
H20D H 0.554779 0.243557 0.554941 0.103 Uiso 0.394(3) 1 calc R U P A 2
H20E H 0.594895 0.187712 0.515765 0.103 Uiso 0.394(3) 1 calc R U P A 2
H20F H 0.521363 0.212579 0.475732 0.103 Uiso 0.394(3) 1 calc R U P A 2
C21A C 0.5377(5) 0.3587(6) 0.4510(7) 0.058(3) Uani 0.394(3) 1 d . . P A 2
H21D H 0.524718 0.378201 0.493364 0.087 Uiso 0.394(3) 1 calc R U P A 2
H21E H 0.499174 0.336707 0.417275 0.087 Uiso 0.394(3) 1 calc R U P A 2
H21F H 0.555353 0.399788 0.427198 0.087 Uiso 0.394(3) 1 calc R U P A 2
C22A C 0.6505(6) 0.3331(7) 0.5290(6) 0.061(3) Uani 0.394(3) 1 d . . P A 2
H22D H 0.635036 0.361035 0.565876 0.092 Uiso 0.394(3) 1 calc R U P A 2
H22E H 0.673616 0.367425 0.503561 0.092 Uiso 0.394(3) 1 calc R U P A 2
H22F H 0.680657 0.293079 0.552121 0.092 Uiso 0.394(3) 1 calc R U P A 2
C28A C 0.8137(4) 0.1819(4) 0.5842(4) 0.068(3) Uani 0.397(5) 1 d G . P A 2
H28A H 0.848538 0.216819 0.586191 0.081 Uiso 0.397(5) 1 calc R U P A 2
C27A C 0.8138(5) 0.1365(6) 0.6433(4) 0.067(4) Uani 0.397(5) 1 d G . P A 2
H27A H 0.848638 0.140285 0.685788 0.081 Uiso 0.397(5) 1 calc R U P A 2
C26A C 0.7628(5) 0.0854(5) 0.6403(4) 0.078(3) Uani 0.397(5) 1 d G . P A 2
H26A H 0.762819 0.054326 0.680770 0.094 Uiso 0.397(5) 1 calc R U P A 2
C25A C 0.7117(4) 0.0798(4) 0.5782(5) 0.076(3) Uani 0.397(5) 1 d G . P A 2
H25A H 0.676897 0.044900 0.576155 0.092 Uiso 0.397(5) 1 calc R U P A 2
C24A C 0.7117(3) 0.1253(4) 0.5190(4) 0.058(3) Uani 0.397(5) 1 d G . P A 2
H24A H 0.676795 0.121433 0.476558 0.069 Uiso 0.397(5) 1 calc R U P A 2
C23A C 0.7627(3) 0.1763(4) 0.5220(3) 0.0397(19) Uani 0.397(5) 1 d G . P A 2
F7A F 0.0512(11) 0.3650(13) 0.2716(12) 0.0540(14) Uani 0.166(3) 1 d . . P B 2
F8A F -0.0075(10) 0.4329(14) 0.1895(13) 0.0540(14) Uani 0.166(3) 1 d . . P B 2
F9A F 0.0750(8) 0.4769(10) 0.2695(10) 0.0540(14) Uani 0.166(3) 1 d . . P B 2
F10A F 0.0863(3) 0.5288(4) -0.0111(3) 0.0606(5) Uani 0.547(8) 1 d . . P C 2
F11A F 0.0965(7) 0.4209(8) -0.0570(7) 0.089(4) Uani 0.547(8) 1 d . . P C 2
F14A F 0.4543(4) 0.3950(6) 0.0857(5) 0.0829(7) Uani 0.383(3) 1 d . . P D 2
F15A F 0.5204(4) 0.3492(5) 0.1753(5) 0.0829(7) Uani 0.383(3) 1 d . . P D 2
F17A F 0.4204(3) 0.542851 0.3695(3) 0.0556(5) Uani 0.383(3) 1 d . . P D 2
F18A F 0.4150(5) 0.4361(6) 0.4233(5) 0.092(2) Uani 0.383(3) 1 d . U P D 2
F22A F 0.4565(7) 0.1401(10) 0.0918(12) 0.077(4) Uani 0.39(2) 1 d . . P E 2
F23A F 0.4106(8) 0.0317(7) 0.0779(6) 0.062(3) Uani 0.39(2) 1 d . . P E 2
F24A F 0.4333(11) 0.0837(9) 0.1812(8) 0.055(3) Uani 0.39(2) 1 d . . P E 2
F1A F 0.3341(15) 0.0827(18) 0.4605(15) 0.064(6) Uani 0.100(8) 1 d . . P F 2
F2A F 0.3400(18) 0.207(2) 0.4788(16) 0.069(6) Uani 0.100(8) 1 d . . P F 2
F3A F 0.3925(13) 0.149(2) 0.4269(16) 0.058(5) Uani 0.100(8) 1 d . . P F 2
F7B F 0.0841(2) 0.4396(5) 0.2901(2) 0.0703(13) Uani 0.653(3) 1 d . . P B 3
F8B F 0.0203(4) 0.3557(3) 0.2348(5) 0.0892(16) Uani 0.653(3) 1 d . . P B 3
F9B F 0.0060(3) 0.4691(5) 0.1986(3) 0.089(2) Uani 0.653(3) 1 d . . P B 3
F5 F 0.06855(10) 0.13098(13) 0.29294(13) 0.0518(5) Uani 1 1 d . . . . .
F6 F 0.09305(11) 0.07783(14) 0.20273(12) 0.0526(5) Uani 1 1 d . . . . .
F12 F 0.17649(13) 0.49271(14) -0.01403(13) 0.0606(5) Uani 1 1 d . . . . .
F13 F 0.51609(15) 0.46184(19) 0.17357(17) 0.0829(7) Uani 1 1 d . U . . .
F16 F 0.33180(12) 0.48895(13) 0.38378(13) 0.0556(5) Uani 1 1 d . . . . .
F19 F 0.13848(13) 0.09997(18) -0.04096(16) 0.0772(8) Uani 1 1 d . . . . .
F20 F 0.16405(14) 0.19702(17) -0.09122(14) 0.0744(8) Uani 1 1 d . . . . .
F21 F 0.21217(15) 0.09316(19) -0.10031(16) 0.0828(8) Uani 1 1 d . U . . .
C12 C 0.9700(4) 0.3177(5) 0.3916(5) 0.123(3) Uani 1 1 d . . . . .
H12A H 1.001559 0.301000 0.364562 0.184 Uiso 1 1 calc R U . . .
H12B H 0.986238 0.363848 0.418111 0.184 Uiso 1 1 calc R U . . .
H12C H 0.927152 0.327556 0.357939 0.184 Uiso 1 1 calc R U . . .
C13 C 1.0315(3) 0.2516(4) 0.4980(6) 0.118(3) Uani 1 1 d . . . . .
H13A H 1.063422 0.232447 0.472588 0.178 Uiso 1 1 calc R U . . .
H13B H 1.029676 0.217587 0.537823 0.178 Uiso 1 1 calc R U . . .
H13C H 1.045045 0.301843 0.517273 0.178 Uiso 1 1 calc R U . . .
C14 C 0.9463(3) 0.1857(5) 0.4083(6) 0.133(3) Uani 1 1 d . . . . .
H14A H 0.984482 0.167530 0.392196 0.199 Uiso 1 1 calc R U . . .
H14B H 0.908693 0.192367 0.366451 0.199 Uiso 1 1 calc R U . . .
H14C H 0.934784 0.148960 0.441436 0.199 Uiso 1 1 calc R U . . .
C29 C 0.76997(16) 0.1822(2) 0.33574(18) 0.0423(7) Uani 1 1 d . . . . .
C30 C 0.7676(2) 0.2102(2) 0.2671(2) 0.0510(9) Uani 1 1 d . . . . .
H30 H 0.761993 0.262656 0.257852 0.061 Uiso 1 1 calc R U . . .
C31 C 0.7734(2) 0.1621(3) 0.2125(2) 0.0599(10) Uani 1 1 d . . . . .
H31 H 0.772383 0.181593 0.166028 0.072 Uiso 1 1 calc R U . . .
C32 C 0.7806(2) 0.0857(2) 0.2251(2) 0.0567(10) Uani 1 1 d . . . . .
H32 H 0.784913 0.052988 0.187228 0.068 Uiso 1 1 calc R U . . .
C33 C 0.7817(2) 0.0565(2) 0.2920(2) 0.0524(9) Uani 1 1 d . . . . .
H33 H 0.785618 0.003816 0.300248 0.063 Uiso 1 1 calc R U . . .
C34 C 0.77684(19) 0.1051(2) 0.3475(2) 0.0490(8) Uani 1 1 d . . . . .
H34 H 0.778266 0.085330 0.394013 0.059 Uiso 1 1 calc R U . . .
C35 C 0.24907(13) 0.22981(16) 0.25085(15) 0.0276(5) Uani 1 1 d . . . . .
C36 C 0.29558(14) 0.21668(18) 0.31609(15) 0.0325(6) Uani 1 1 d . . . . .
H36 H 0.335852 0.244082 0.326518 0.039 Uiso 1 1 calc R U . . .
C37 C 0.28457(15) 0.1648(2) 0.36603(16) 0.0369(6) Uani 1 1 d . . . . .
C38 C 0.22712(15) 0.12278(19) 0.35312(16) 0.0367(6) Uani 1 1 d . . . . .
H38 H 0.220118 0.086755 0.387168 0.044 Uiso 1 1 calc R U . . .
C39 C 0.18004(14) 0.13490(17) 0.28889(15) 0.0321(6) Uani 1 1 d . . . . .
C40 C 0.19115(13) 0.18682(16) 0.23903(15) 0.0291(5) Uani 1 1 d . . . . .
H40 H 0.158273 0.193492 0.195239 0.035 Uiso 1 1 calc R U . . .
C41 C 0.33728(19) 0.1513(3) 0.43419(19) 0.0516(9) Uani 1 1 d . . . . .
C42 C 0.11608(16) 0.09252(19) 0.27323(18) 0.0381(6) Uani 1 1 d . . . . .
C43 C 0.19444(13) 0.33890(15) 0.15765(14) 0.0260(5) Uani 1 1 d . . . . .
C44 C 0.14983(13) 0.35494(16) 0.19947(15) 0.0288(5) Uani 1 1 d . . . . .
H44 H 0.155421 0.330964 0.244985 0.035 Uiso 1 1 calc R U . . .
C45 C 0.09741(14) 0.40504(17) 0.17641(16) 0.0324(6) Uani 1 1 d . . . . .
C46 C 0.08689(15) 0.44070(18) 0.11026(16) 0.0345(6) Uani 1 1 d . . . . .
H46 H 0.050628 0.473902 0.094019 0.041 Uiso 1 1 calc R U . . .
C47 C 0.13111(15) 0.42637(17) 0.06834(16) 0.0334(6) Uani 1 1 d . . . . .
C48 C 0.18412(14) 0.37734(16) 0.09167(15) 0.0301(5) Uani 1 1 d . . . . .
H48 H 0.214034 0.369732 0.062187 0.036 Uiso 1 1 calc R U . . .
C49 C 0.05197(18) 0.4199(2) 0.2242(2) 0.0480(8) Uani 1 1 d . . . . .
C50 C 0.12177(18) 0.4630(2) -0.00379(18) 0.0455(7) Uani 1 1 d . . . . .
C51 C 0.32194(13) 0.34267(15) 0.21117(15) 0.0281(5) Uani 1 1 d . . . . .
C52 C 0.36957(14) 0.35380(17) 0.17192(16) 0.0321(6) Uani 1 1 d . . . . .
H52 H 0.366367 0.325684 0.128943 0.038 Uiso 1 1 calc R U . . .
C53 C 0.42155(16) 0.40476(18) 0.19376(18) 0.0376(6) Uani 1 1 d . U . . .
C54 C 0.42720(15) 0.44802(18) 0.25500(17) 0.0371(6) Uani 1 1 d . . . . .
H54 H 0.462884 0.482161 0.270443 0.045 Uiso 1 1 calc R U . . .
C55 C 0.37944(15) 0.44022(18) 0.29318(17) 0.0366(6) Uani 1 1 d . . . . .
C56 C 0.32836(14) 0.38855(17) 0.27229(16) 0.0333(6) Uani 1 1 d . . . . .
H56 H 0.296787 0.384131 0.300231 0.040 Uiso 1 1 calc R U . . .
C57 C 0.4724(2) 0.4100(3) 0.1517(2) 0.0633(10) Uani 1 1 d . U . . .
C58 C 0.38406(18) 0.4899(2) 0.3571(2) 0.0519(9) Uani 1 1 d . . . . .
C59 C 0.27190(13) 0.22626(15) 0.12497(15) 0.0265(5) Uani 1 1 d . . . . .
C60 C 0.22683(14) 0.20737(17) 0.06030(16) 0.0311(5) Uani 1 1 d . . . . .
H60 H 0.185029 0.231611 0.048218 0.037 Uiso 1 1 calc R U . . .
C61 C 0.24120(15) 0.15429(18) 0.01316(17) 0.0360(6) Uani 1 1 d . . . . .
C62 C 0.30145(15) 0.11775(17) 0.02750(17) 0.0360(6) Uani 1 1 d . . . . .
H62 H 0.311470 0.082199 -0.005332 0.043 Uiso 1 1 calc R U . . .
C63 C 0.34672(14) 0.13515(16) 0.09185(17) 0.0325(6) Uani 1 1 d . . . . .
C64 C 0.33193(14) 0.18697(16) 0.13929(15) 0.0298(5) Uani 1 1 d . . . . .
H64 H 0.363674 0.196396 0.183401 0.036 Uiso 1 1 calc R U . . .
C65 C 0.19016(18) 0.1361(2) -0.0548(2) 0.0504(9) Uani 1 1 d . . . . .
C66 C 0.41429(17) 0.1002(2) 0.1098(2) 0.0458(7) Uani 1 1 d . . . . .
F4 F 0.12121(11) 0.02665(12) 0.30746(13) 0.0549(6) Uani 1 1 d . . . . .
B1 B 0.25919(14) 0.28509(17) 0.18593(16) 0.0258(5) Uani 1 1 d . . . . .
C7 C 0.9190(3) 0.3607(3) 0.5553(3) 0.0734(13) Uani 1 1 d . . . . .
C8 C 0.8550(3) 0.3900(3) 0.5697(3) 0.0807(15) Uani 1 1 d . . . . .
H8A H 0.865181 0.425777 0.610004 0.121 Uiso 1 1 calc R U . . .
H8B H 0.829580 0.347829 0.581987 0.121 Uiso 1 1 calc R U . . .
H8C H 0.828927 0.415378 0.526460 0.121 Uiso 1 1 calc R U . . .
C9 C 0.9566(3) 0.4276(3) 0.5331(3) 0.0839(16) Uani 1 1 d . . . . .
H9A H 0.963431 0.466478 0.570579 0.126 Uiso 1 1 calc R U . . .
H9B H 0.930711 0.448583 0.487383 0.126 Uiso 1 1 calc R U . . .
H9C H 0.999429 0.410373 0.527126 0.126 Uiso 1 1 calc R U . . .
C10 C 0.9612(4) 0.3259(4) 0.6264(4) 0.114(2) Uani 1 1 d . . . . .
H10A H 0.959674 0.358790 0.667057 0.171 Uiso 1 1 calc R U . . .
H10B H 1.007063 0.320665 0.623090 0.171 Uiso 1 1 calc R U . . .
H10C H 0.943621 0.276230 0.633879 0.171 Uiso 1 1 calc R U . . .
C11 C 0.9621(2) 0.2563(3) 0.4447(3) 0.0724(13) Uani 1 1 d . . . . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Sn1 C29 108.1(2) . . ?
C1 Sn1 C23 142.63(19) . . ?
C29 Sn1 C23 109.30(17) . . ?
C1 Sn1 P2 75.23(16) . . ?
C29 Sn1 P2 100.68(12) . . ?
C23 Sn1 P2 96.90(12) . . ?
C1 Sn1 P1 73.91(14) . . ?
C29 Sn1 P1 102.35(10) . . ?
C23 Sn1 P1 98.81(14) . . ?
P2 Sn1 P1 145.90(9) . . ?
O1 P1 C11 100.1(2) . . ?
O1 P1 C7 103.7(3) . . ?
C11 P1 C7 115.6(3) . . ?
O1 P1 Sn1 91.79(17) . . ?
C11 P1 Sn1 119.4(2) . . ?
C7 P1 Sn1 118.6(2) . . ?
O2 P2 C15 102.6(4) . . ?
O2 P2 C19 99.3(3) . . ?
C15 P2 C19 114.4(3) . . ?
O2 P2 Sn1 96.14(16) . . ?
C15 P2 Sn1 120.3(2) . . ?
C19 P2 Sn1 117.5(2) . . ?
C2 O1 P1 120.5(3) . . ?
C6 O2 P2 123.2(3) . . ?
C2 C1 C6 115.8(5) . . ?
C2 C1 Sn1 121.3(4) . . ?
C6 C1 Sn1 122.6(4) . . ?
C1 C2 C3 122.9(5) . . ?
C1 C2 O1 121.6(5) . . ?
C3 C2 O1 115.6(5) . . ?
C2 C3 C4 118.5(6) . . ?
C5 C4 C3 119.8(6) . . ?
C4 C5 C6 120.3(6) . . ?
O2 C6 C1 122.5(5) . . ?
O2 C6 C5 114.8(5) . . ?
C1 C6 C5 122.7(5) . . ?
C18 C15 C16 107.5(8) . . ?
C18 C15 C17 112.8(8) . . ?
C16 C15 C17 108.7(8) . . ?
C18 C15 P2 107.6(6) . . ?
C16 C15 P2 105.1(6) . . ?
C17 C15 P2 114.7(5) . . ?
C21 C19 C20 110.8(6) . . ?
C21 C19 C22 109.2(7) . . ?
C20 C19 C22 108.7(6) . . ?
C21 C19 P2 110.2(5) . . ?
C20 C19 P2 112.7(6) . . ?
C22 C19 P2 105.0(4) . . ?
C24 C23 C28 120.0 . . ?
C24 C23 Sn1 116.22(19) . . ?
C28 C23 Sn1 123.75(19) . . ?
C25 C24 C23 120.0 . . ?
C26 C25 C24 120.0 . . ?
C25 C26 C27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C27 C28 C23 120.0 . . ?
C29 Sn1A C23A 117.2(3) . . ?
C29 Sn1A C1A 99.5(3) . . ?
C23A Sn1A C1A 143.2(3) . . ?
C29 Sn1A P2A 104.48(11) . . ?
C23A Sn1A P2A 96.4(2) . . ?
C1A Sn1A P2A 75.8(3) . . ?
C29 Sn1A P1A 95.27(17) . . ?
C23A Sn1A P1A 98.7(2) . . ?
C1A Sn1A P1A 73.9(3) . . ?
P2A Sn1A P1A 146.1(2) . . ?
O2A P2A C15A 102.7(6) . . ?
O2A P2A C19A 100.2(4) . . ?
C15A P2A C19A 113.7(6) . . ?
O2A P2A Sn1A 95.8(3) . . ?
C15A P2A Sn1A 121.1(4) . . ?
C19A P2A Sn1A 117.2(4) . . ?
O1A P1A C11 102.3(4) . . ?
O1A P1A C7 103.7(4) . . ?
C11 P1A C7 105.6(3) . . ?
O1A P1A Sn1A 92.7(3) . . ?
C11 P1A Sn1A 125.6(3) . . ?
C7 P1A Sn1A 121.2(3) . . ?
C6A O2A P2A 123.9(6) . . ?
C6A C1A C2A 116.1(9) . . ?
C6A C1A Sn1A 120.9(6) . . ?
C2A C1A Sn1A 122.4(8) . . ?
C3A C2A C1A 123.5(11) . . ?
C3A C2A O1A 116.6(9) . . ?
C1A C2A O1A 119.9(10) . . ?
C2A O1A P1A 123.1(6) . . ?
C4A C3A C2A 120.1(10) . . ?
C3A C4A C5A 119.3(11) . . ?
C6A C5A C4A 118.6(11) . . ?
C5A C6A C1A 122.0(9) . . ?
C5A C6A O2A 115.2(8) . . ?
C1A C6A O2A 122.8(8) . . ?
C16A C15A C18A 109.5(13) . . ?
C16A C15A C17A 110.9(11) . . ?
C18A C15A C17A 107.9(12) . . ?
C16A C15A P2A 109.4(10) . . ?
C18A C15A P2A 104.5(9) . . ?
C17A C15A P2A 114.3(8) . . ?
C21A C19A C22A 108.8(9) . . ?
C21A C19A C20A 110.8(9) . . ?
C22A C19A C20A 111.2(11) . . ?
C21A C19A P2A 110.2(8) . . ?
C22A C19A P2A 103.7(7) . . ?
C20A C19A P2A 111.9(8) . . ?
C27A C28A C23A 120.0 . . ?
C26A C27A C28A 120.0 . . ?
C27A C26A C25A 120.0 . . ?
C24A C25A C26A 120.0 . . ?
C23A C24A C25A 120.0 . . ?
C24A C23A C28A 120.0 . . ?
C24A C23A Sn1A 116.1(4) . . ?
C28A C23A Sn1A 123.8(4) . . ?
C34 C29 C30 118.9(3) . . ?
C34 C29 Sn1A 112.3(3) . . ?
C30 C29 Sn1A 128.7(3) . . ?
C34 C29 Sn1 126.0(3) . . ?
C30 C29 Sn1 115.1(3) . . ?
C31 C30 C29 120.2(4) . . ?
C30 C31 C32 120.4(4) . . ?
C33 C32 C31 120.5(3) . . ?
C32 C33 C34 119.3(4) . . ?
C29 C34 C33 120.8(4) . . ?
C36 C35 C40 115.8(3) . . ?
C36 C35 B1 125.8(3) . . ?
C40 C35 B1 118.3(2) . . ?
C37 C36 C35 121.9(3) . . ?
C38 C37 C36 121.4(3) . . ?
C38 C37 C41 119.1(3) . . ?
C36 C37 C41 119.5(3) . . ?
C37 C38 C39 117.9(3) . . ?
C40 C39 C38 120.6(3) . . ?
C40 C39 C42 119.3(3) . . ?
C38 C39 C42 120.1(3) . . ?
C39 C40 C35 122.5(3) . . ?
F3A C41 F2A 102(2) . . ?
F3 C41 F1 106.9(4) . . ?
F3A C41 F1A 99(2) . . ?
F2A C41 F1A 117(2) . . ?
F3 C41 F2 104.6(4) . . ?
F1 C41 F2 106.4(4) . . ?
F3A C41 C37 115.1(13) . . ?
F2A C41 C37 110.8(14) . . ?
F3 C41 C37 111.9(3) . . ?
F1 C41 C37 113.3(3) . . ?
F1A C41 C37 112.3(10) . . ?
F2 C41 C37 113.1(3) . . ?
F4 C42 F5 106.6(3) . . ?
F4 C42 F6 106.8(3) . . ?
F5 C42 F6 106.1(3) . . ?
F4 C42 C39 112.6(3) . . ?
F5 C42 C39 112.1(3) . . ?
F6 C42 C39 112.3(3) . . ?
C44 C43 C48 116.0(2) . . ?
C44 C43 B1 123.0(2) . . ?
C48 C43 B1 120.8(2) . . ?
C45 C44 C43 122.1(3) . . ?
C46 C45 C44 121.0(3) . . ?
C46 C45 C49 119.8(3) . . ?
C44 C45 C49 119.2(3) . . ?
C45 C46 C47 117.8(3) . . ?
C46 C47 C48 121.3(3) . . ?
C46 C47 C50 120.0(3) . . ?
C48 C47 C50 118.7(3) . . ?
C47 C48 C43 121.7(3) . . ?
F8 C49 F7 105.4(12) . . ?
F9B C49 F7B 109.5(5) . . ?
F8A C49 F7A 108.1(14) . . ?
F8A C49 F9A 110.2(12) . . ?
F7A C49 F9A 100.1(13) . . ?
F9B C49 F8B 106.2(5) . . ?
F7B C49 F8B 103.4(5) . . ?
F8 C49 F9 106.0(10) . . ?
F7 C49 F9 105.2(12) . . ?
F8 C49 C45 113.6(7) . . ?
F8A C49 C45 113.5(10) . . ?
F9B C49 C45 114.3(4) . . ?
F7 C49 C45 116.5(7) . . ?
F7B C49 C45 112.4(3) . . ?
F7A C49 C45 113.7(7) . . ?
F9A C49 C45 110.3(7) . . ?
F8B C49 C45 110.4(4) . . ?
F9 C49 C45 109.3(6) . . ?
F11A C50 F12 108.7(8) . . ?
F12 C50 F10 120.8(5) . . ?
F11A C50 F10A 108.3(7) . . ?
F12 C50 F10A 96.4(4) . . ?
F12 C50 F11 98.8(7) . . ?
F10 C50 F11 101.1(7) . . ?
F11A C50 C47 114.6(8) . . ?
F12 C50 C47 113.1(3) . . ?
F10 C50 C47 112.8(4) . . ?
F10A C50 C47 114.2(3) . . ?
F11 C50 C47 107.4(8) . . ?
C52 C51 C56 115.5(3) . . ?
C52 C51 B1 123.6(2) . . ?
C56 C51 B1 120.8(2) . . ?
C53 C52 C51 122.3(3) . . ?
C54 C53 C52 120.7(3) . . ?
C54 C53 C57 120.1(3) . . ?
C52 C53 C57 119.1(3) . . ?
C53 C54 C55 118.1(3) . . ?
C54 C55 C56 121.2(3) . . ?
C54 C55 C58 117.7(3) . . ?
C56 C55 C58 121.0(3) . . ?
C55 C56 C51 122.1(3) . . ?
F14A C57 F13 119.3(5) . . ?
F15 C57 F13 124.1(4) . . ?
F15 C57 F14 93.2(4) . . ?
F13 C57 F14 91.8(4) . . ?
F14A C57 F15A 99.5(7) . . ?
F13 C57 F15A 92.8(5) . . ?
F14A C57 C53 117.0(5) . . ?
F15 C57 C53 116.4(4) . . ?
F13 C57 C53 114.4(3) . . ?
F14 C57 C53 108.3(4) . . ?
F15A C57 C53 108.3(4) . . ?
F17A C58 F16 118.7(4) . . ?
F18 C58 F16 113.4(4) . . ?
F18 C58 F17 101.6(4) . . ?
F16 C58 F17 100.2(3) . . ?
F17A C58 C55 122.5(4) . . ?
F18 C58 C55 115.4(3) . . ?
F16 C58 C55 114.8(3) . . ?
F17 C58 C55 109.3(3) . . ?
F17A C58 F18A 101.7(6) . . ?
F16 C58 F18A 84.0(5) . . ?
C55 C58 F18A 103.2(4) . . ?
C60 C59 C64 115.3(2) . . ?
C60 C59 B1 126.3(2) . . ?
C64 C59 B1 118.3(2) . . ?
C61 C60 C59 122.1(3) . . ?
C62 C61 C60 121.6(3) . . ?
C62 C61 C65 119.2(3) . . ?
C60 C61 C65 119.2(3) . . ?
C61 C62 C63 117.3(3) . . ?
C64 C63 C62 121.1(3) . . ?
C64 C63 C66 118.5(3) . . ?
C62 C63 C66 120.4(3) . . ?
C63 C64 C59 122.6(3) . . ?
F21 C65 F20 106.8(4) . . ?
F21 C65 F19 106.5(3) . . ?
F20 C65 F19 104.3(3) . . ?
F21 C65 C61 114.0(3) . . ?
F20 C65 C61 113.0(3) . . ?
F19 C65 C61 111.6(3) . . ?
F24 C66 F23 110.5(6) . . ?
F22A C66 F23A 110.6(7) . . ?
F22A C66 F24A 110.5(14) . . ?
F23A C66 F24A 103.2(8) . . ?
F24 C66 F22 101.5(8) . . ?
F23 C66 F22 101.5(5) . . ?
F22A C66 C63 113.0(7) . . ?
F24 C66 C63 114.9(7) . . ?
F23 C66 C63 115.1(4) . . ?
F23A C66 C63 108.9(6) . . ?
F24A C66 C63 110.1(10) . . ?
F22 C66 C63 111.8(4) . . ?
C43 B1 C59 113.9(2) . . ?
C43 B1 C35 110.4(2) . . ?
C59 B1 C35 103.4(2) . . ?
C43 B1 C51 105.6(2) . . ?
C59 B1 C51 110.4(2) . . ?
C35 B1 C51 113.3(2) . . ?
C8 C7 C9 108.4(5) . . ?
C8 C7 C10 108.2(5) . . ?
C9 C7 C10 109.3(4) . . ?
C8 C7 P1 107.4(3) . . ?
C9 C7 P1 115.7(4) . . ?
C10 C7 P1 107.5(4) . . ?
C8 C7 P1A 102.1(3) . . ?
C9 C7 P1A 104.6(4) . . ?
C10 C7 P1A 123.3(5) . . ?
C14 C11 C12 110.6(7) . . ?
C14 C11 C13 109.7(6) . . ?
C12 C11 C13 103.8(6) . . ?
C14 C11 P1 110.5(4) . . ?
C12 C11 P1 109.1(4) . . ?
C13 C11 P1 112.9(5) . . ?
C14 C11 P1A 111.1(4) . . ?
C12 C11 P1A 93.5(4) . . ?
C13 C11 P1A 125.9(6) . . ?
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 C1 2.141(6) . ?
Sn1 C29 2.145(3) . ?
Sn1 C23 2.158(4) . ?
Sn1 P2 2.761(2) . ?
Sn1 P1 2.808(2) . ?
P1 O1 1.634(4) . ?
P1 C11 1.832(5) . ?
P1 C7 1.841(6) . ?
P2 O2 1.627(5) . ?
P2 C15 1.845(7) . ?
P2 C19 1.863(7) . ?
O1 C2 1.397(6) . ?
O2 C6 1.385(7) . ?
C1 C2 1.384(7) . ?
C1 C6 1.389(7) . ?
C2 C3 1.390(7) . ?
C3 C4 1.415(9) . ?
C4 C5 1.335(10) . ?
C5 C6 1.394(8) . ?
C15 C18 1.511(15) . ?
C15 C16 1.527(13) . ?
C15 C17 1.532(10) . ?
C19 C21 1.521(11) . ?
C19 C20 1.536(10) . ?
C19 C22 1.554(10) . ?
C23 C24 1.3900 . ?
C23 C28 1.3900 . ?
C24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
F7 C49 1.304(18) . ?
F8 C49 1.272(15) . ?
F9 C49 1.451(15) . ?
F10 C50 1.322(7) . ?
F11 C50 1.429(13) . ?
F14 C57 1.431(8) . ?
F15 C57 1.270(7) . ?
F17 C58 1.437(6) . ?
F18 C58 1.270(5) . ?
F22 C66 1.386(7) . ?
F23 C66 1.337(6) . ?
F24 C66 1.290(12) . ?
F1 C41 1.315(5) . ?
F2 C41 1.333(6) . ?
F3 C41 1.313(6) . ?
Sn1A C29 2.100(3) . ?
Sn1A C23A 2.123(7) . ?
Sn1A C1A 2.172(10) . ?
Sn1A P2A 2.741(3) . ?
Sn1A P1A 2.819(5) . ?
P2A O2A 1.635(7) . ?
P2A C15A 1.851(12) . ?
P2A C19A 1.859(10) . ?
P1A O1A 1.637(9) . ?
P1A C11 1.893(7) . ?
P1A C7 2.010(7) . ?
O2A C6A 1.384(11) . ?
C1A C6A 1.383(13) . ?
C1A C2A 1.399(12) . ?
C2A C3A 1.365(15) . ?
C2A O1A 1.411(14) . ?
C3A C4A 1.335(19) . ?
C4A C5A 1.442(17) . ?
C5A C6A 1.380(13) . ?
C15A C16A 1.506(19) . ?
C15A C18A 1.55(2) . ?
C15A C17A 1.559(15) . ?
C19A C21A 1.533(14) . ?
C19A C22A 1.541(16) . ?
C19A C20A 1.565(16) . ?
C28A C27A 1.3900 . ?
C28A C23A 1.3900 . ?
C27A C26A 1.3900 . ?
C26A C25A 1.3900 . ?
C25A C24A 1.3900 . ?
C24A C23A 1.3900 . ?
F7A C49 1.335(18) . ?
F8A C49 1.28(2) . ?
F9A C49 1.342(18) . ?
F10A C50 1.373(6) . ?
F11A C50 1.269(13) . ?
F14A C57 1.254(10) . ?
F15A C57 1.467(11) . ?
F17A C58 1.196(6) . ?
F18A C58 1.591(11) . ?
F22A C66 1.246(13) . ?
F23A C66 1.355(9) . ?
F24A C66 1.356(17) . ?
F1A C41 1.33(3) . ?
F2A C41 1.29(3) . ?
F3A C41 1.20(3) . ?
F7B C49 1.320(6) . ?
F8B C49 1.360(7) . ?
F9B C49 1.302(6) . ?
F5 C42 1.335(4) . ?
F6 C42 1.340(4) . ?
F12 C50 1.318(4) . ?
F13 C57 1.292(5) . ?
F16 C58 1.316(4) . ?
F19 C65 1.338(5) . ?
F20 C65 1.330(5) . ?
F21 C65 1.323(4) . ?
C12 C11 1.527(9) . ?
C13 C11 1.554(9) . ?
C14 C11 1.434(9) . ?
C29 C34 1.390(5) . ?
C29 C30 1.394(5) . ?
C30 C31 1.377(5) . ?
C31 C32 1.380(6) . ?
C32 C33 1.376(6) . ?
C33 C34 1.390(5) . ?
C35 C36 1.398(4) . ?
C35 C40 1.402(4) . ?
C35 B1 1.638(4) . ?
C36 C37 1.387(4) . ?
C37 C38 1.383(5) . ?
C37 C41 1.503(4) . ?
C38 C39 1.387(4) . ?
C39 C40 1.387(4) . ?
C39 C42 1.499(4) . ?
C42 F4 1.332(4) . ?
C43 C44 1.400(4) . ?
C43 C48 1.404(4) . ?
C43 B1 1.636(4) . ?
C44 C45 1.396(4) . ?
C45 C46 1.383(4) . ?
C45 C49 1.496(4) . ?
C46 C47 1.389(4) . ?
C47 C48 1.393(4) . ?
C47 C50 1.494(4) . ?
C51 C52 1.402(4) . ?
C51 C56 1.404(4) . ?
C51 B1 1.639(4) . ?
C52 C53 1.396(4) . ?
C53 C54 1.381(4) . ?
C53 C57 1.485(5) . ?
C54 C55 1.383(5) . ?
C55 C56 1.390(4) . ?
C55 C58 1.491(4) . ?
C59 C60 1.397(4) . ?
C59 C64 1.402(4) . ?
C59 B1 1.636(4) . ?
C60 C61 1.388(4) . ?
C61 C62 1.383(4) . ?
C61 C65 1.498(4) . ?
C62 C63 1.389(4) . ?
C63 C64 1.381(4) . ?
C63 C66 1.503(4) . ?
C7 C8 1.525(8) . ?
C7 C9 1.542(6) . ?
C7 C10 1.553(9) . ?
