#------------------------------------------------------------------------------
#$Date: 2020-05-05 15:49:51 +0300 (Tue, 05 May 2020) $
#$Revision: 251587 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/62/7126223.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_7126223
loop_
_publ_author_name
'Do, Dinh Cao Huan'
'Protchenko, Andrey V.'
'Fuentes, M Ángeles'
'Hicks, Jamie'
'Vasko, Petra'
'Aldridge, Simon'
_publ_section_title
;
 N-H cleavage vs. Werner complex formation: reactivity of cationic group
 14 tetrelenes towards amines.
;
_journal_issue                   34
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4684
_journal_page_last               4687
_journal_paper_doi               10.1039/d0cc00875c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C16 Al F36 O4, C31 H47 N4 Sn'
_chemical_formula_sum            'C47 H47 Al F36 N4 O4 Sn'
_chemical_formula_weight         1561.55
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-02-01 deposited with the CCDC.	2020-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.1710(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.26100(10)
_cell_length_b                   19.80550(10)
_cell_length_c                   18.81110(10)
_cell_measurement_reflns_used    44280
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      76.1280
_cell_measurement_theta_min      3.5300
_cell_volume                     5898.88(6)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'SHELXLE (HUbschle, 2017)'
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            93156
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.304
_diffrn_reflns_theta_min         3.574
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    5.080
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.49243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3104
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.296
_refine_diff_density_min         -0.718
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1261
_refine_ls_number_reflns         12311
_refine_ls_number_restraints     2790
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0451
_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)+(0.0743P)²+10.5877P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1257
_refine_ls_wR_factor_ref         0.1278
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11559
_reflns_number_total             12311
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc00875c2.cif
_cod_data_source_block           078hdmaf18
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7126216--7126223.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7126223
_shelx_shelxl_version_number     2017/1
_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Al1 Al 0.54572(5) 0.24864(4) 0.37949(4) 0.01617(17) Uani 1 1 d . . . . .
O1 O 0.64079(15) 0.25551(10) 0.35154(12) 0.0257(5) Uani 1 1 d . . . . .
O2 O 0.56826(15) 0.26012(11) 0.47232(11) 0.0267(5) Uani 1 1 d . . . . .
O3 O 0.50534(14) 0.17004(11) 0.35231(12) 0.0297(5) Uani 1 1 d . . . . .
O4 O 0.47315(14) 0.30856(12) 0.33930(13) 0.0318(5) Uani 1 1 d . . . . .
C32 C 0.68367(18) 0.23904(15) 0.30175(15) 0.0212(5) Uani 1 1 d . . . . .
C33 C 0.76891(19) 0.27775(17) 0.31793(16) 0.0312(6) Uani 1 1 d D U . . .
C34 C 0.70312(19) 0.16166(17) 0.30409(16) 0.0319(6) Uani 1 1 d D U . . .
C35 C 0.6347(2) 0.25702(16) 0.22281(17) 0.0299(7) Uani 1 1 d D U . . .
C36 C 0.6212(2) 0.25109(14) 0.53752(16) 0.0233(6) Uani 1 1 d D U . . .
C40 C 0.43683(19) 0.12932(16) 0.34015(16) 0.0266(6) Uani 1 1 d D U . . .
C44 C 0.44436(19) 0.37198(16) 0.33531(17) 0.0284(6) Uani 1 1 d D U . . .
F1 F 0.75822(13) 0.34128(10) 0.33592(12) 0.0381(6) Uani 0.947(4) 1 d D U P A 1
F2 F 0.82463(13) 0.24903(11) 0.37367(11) 0.0331(5) Uani 0.947(4) 1 d D U P A 1
F3 F 0.80613(13) 0.27857(13) 0.26098(11) 0.0377(6) Uani 0.947(4) 1 d D U P A 1
F4 F 0.72296(16) 0.13944(11) 0.37242(11) 0.0424(6) Uani 0.948(4) 1 d D U P B 1
F5 F 0.76703(13) 0.14625(11) 0.27281(12) 0.0374(5) Uani 0.948(4) 1 d D U P B 1
F6 F 0.63614(13) 0.12605(11) 0.26849(12) 0.0390(5) Uani 0.948(4) 1 d D U P B 1
F7 F 0.66684(13) 0.22783(13) 0.17133(10) 0.0374(5) Uani 0.963(3) 1 d D U P C 1
F8 F 0.55391(12) 0.23992(12) 0.21268(11) 0.0361(5) Uani 0.963(3) 1 d D U P C 1
F9 F 0.63693(14) 0.32371(11) 0.21191(11) 0.0395(5) Uani 0.963(3) 1 d D U P C 1
F10 F 0.4631(16) 0.2601(14) 0.5241(15) 0.026(5) Uani 0.056(3) 1 d D U P D 1
F11 F 0.523(2) 0.2491(16) 0.6323(15) 0.035(6) Uani 0.056(3) 1 d D U P D 1
F12 F 0.542(2) 0.3357(13) 0.5764(18) 0.034(6) Uani 0.056(3) 1 d D U P D 1
F13 F 0.715(3) 0.332(2) 0.6070(16) 0.053(7) Uani 0.056(3) 1 d D U P D 1
F14 F 0.743(3) 0.283(2) 0.512(3) 0.067(8) Uani 0.056(3) 1 d D U P D 1
F15 F 0.649(3) 0.3632(17) 0.4979(19) 0.050(7) Uani 0.056(3) 1 d D U P D 1
F16 F 0.644(2) 0.1478(18) 0.6246(19) 0.050(7) Uani 0.056(3) 1 d D U P D 1
F17 F 0.7470(17) 0.2043(19) 0.5973(19) 0.048(7) Uani 0.056(3) 1 d D U P D 1
F18 F 0.664(3) 0.144(3) 0.5144(17) 0.052(8) Uani 0.056(3) 1 d D U P D 1
F19 F 0.5362(4) 0.0428(4) 0.3942(4) 0.0543(16) Uani 0.542(5) 1 d D U P E 1
F20 F 0.4060(9) 0.0122(6) 0.3347(6) 0.057(2) Uani 0.542(5) 1 d D U P E 1
F21 F 0.4917(3) 0.0404(3) 0.2774(3) 0.0693(17) Uani 0.542(5) 1 d D U P E 1
F22 F 0.4180(4) 0.1523(4) 0.2142(3) 0.0623(16) Uani 0.542(5) 1 d D U P E 1
F23 F 0.3175(8) 0.1000(7) 0.2398(7) 0.047(2) Uani 0.542(5) 1 d D U P E 1
F24 F 0.3310(3) 0.1985(2) 0.2716(3) 0.0579(14) Uani 0.542(5) 1 d D U P E 1
F25 F 0.3869(6) 0.2021(3) 0.4197(4) 0.0504(18) Uani 0.542(5) 1 d D U P E 1
F26 F 0.4307(4) 0.1048(3) 0.4620(2) 0.0640(15) Uani 0.542(5) 1 d D U P E 1
F27 F 0.3102(5) 0.1148(5) 0.3849(4) 0.0381(16) Uani 0.542(5) 1 d D U P E 1
F28 F 0.3394(5) 0.3389(4) 0.2385(5) 0.079(3) Uani 0.564(11) 1 d D U P F 1
F29 F 0.3044(4) 0.3555(4) 0.3434(7) 0.085(2) Uani 0.564(11) 1 d D U P F 1
F30 F 0.3274(7) 0.4405(4) 0.2760(6) 0.074(3) Uani 0.564(11) 1 d D U P F 1
F31 F 0.5793(5) 0.4052(4) 0.3190(4) 0.0520(16) Uani 0.564(11) 1 d D U P F 1
F32 F 0.4794(6) 0.4036(5) 0.2252(4) 0.063(2) Uani 0.564(11) 1 d D U P F 1
F33 F 0.4869(7) 0.4838(4) 0.3034(5) 0.0468(16) Uani 0.564(11) 1 d D U P F 1
F34 F 0.4109(6) 0.4633(3) 0.4136(4) 0.0639(18) Uani 0.564(11) 1 d D U P F 1
F35 F 0.5347(5) 0.4181(3) 0.4465(3) 0.0612(17) Uani 0.564(11) 1 d D U P F 1
F36 F 0.4235(5) 0.3639(4) 0.4566(3) 0.064(2) Uani 0.564(11) 1 d D U P F 1
C37 C 0.5413(13) 0.2679(13) 0.5680(15) 0.030(5) Uani 0.056(3) 1 d D U P D 1
C38 C 0.6814(16) 0.3102(11) 0.5394(17) 0.050(5) Uani 0.056(3) 1 d D U P D 1
C39 C 0.6658(15) 0.1853(11) 0.5721(16) 0.039(5) Uani 0.056(3) 1 d D U P D 1
C41 C 0.4689(5) 0.0544(4) 0.3393(4) 0.0478(18) Uani 0.542(5) 1 d D U P E 1
C42 C 0.3759(5) 0.1442(4) 0.2657(4) 0.0408(16) Uani 0.542(5) 1 d D U P E 1
C43 C 0.3903(4) 0.1367(4) 0.4022(4) 0.0416(15) Uani 0.542(5) 1 d D U P E 1
C45 C 0.3512(5) 0.3781(4) 0.2970(6) 0.056(2) Uani 0.564(11) 1 d D U P F 1
C46 C 0.4979(6) 0.4177(5) 0.2959(5) 0.040(2) Uani 0.564(11) 1 d D U P F 1
C47 C 0.4532(6) 0.4056(4) 0.4129(4) 0.0483(19) Uani 0.564(11) 1 d D U P F 1
F1A F 0.766(2) 0.3379(9) 0.2833(17) 0.042(7) Uani 0.053(4) 1 d D U P A 2
F2A F 0.834(2) 0.2800(18) 0.3764(15) 0.055(8) Uani 0.053(4) 1 d D U P A 2
F3A F 0.789(3) 0.2311(14) 0.2716(16) 0.058(8) Uani 0.053(4) 1 d D U P A 2
F4A F 0.670(2) 0.149(2) 0.2330(7) 0.064(8) Uani 0.052(4) 1 d D U P B 2
F5A F 0.7838(8) 0.1429(19) 0.320(2) 0.045(7) Uani 0.052(4) 1 d D U P B 2
F6A F 0.661(2) 0.1240(19) 0.3434(19) 0.058(8) Uani 0.052(4) 1 d D U P B 2
F7A F 0.672(2) 0.2837(16) 0.1721(18) 0.035(8) Uani 0.037(3) 1 d D U P C 2
F8A F 0.630(2) 0.1891(5) 0.209(2) 0.025(6) Uani 0.037(3) 1 d D U P C 2
F9A F 0.5541(10) 0.2794(18) 0.207(2) 0.036(7) Uani 0.037(3) 1 d D U P C 2
F10A F 0.50295(16) 0.27298(17) 0.58746(14) 0.0564(7) Uani 0.944(3) 1 d D U P D
2
F11A F 0.62342(19) 0.26612(15) 0.66430(12) 0.0514(7) Uani 0.944(3) 1 d D U P D
2
F12A F 0.5922(2) 0.35343(14) 0.59352(14) 0.0572(7) Uani 0.944(3) 1 d D U P D 2
F13A F 0.75528(17) 0.29494(17) 0.60471(13) 0.0551(7) Uani 0.944(3) 1 d . U P D
2
F14A F 0.75440(15) 0.24308(14) 0.50401(13) 0.0438(6) Uani 0.944(3) 1 d . U P D
2
F15A F 0.70016(19) 0.34201(14) 0.50200(14) 0.0514(6) Uani 0.944(3) 1 d . U P D
2
F16A F 0.70048(18) 0.16331(14) 0.61024(13) 0.0514(7) Uani 0.944(3) 1 d D U P D
2
F17A F 0.56586(19) 0.15066(14) 0.57569(15) 0.0548(7) Uani 0.944(3) 1 d D U P D
2
F18A F 0.6437(2) 0.14077(15) 0.49799(14) 0.0467(7) Uani 0.944(3) 1 d D U P D 2
F19A F 0.4677(5) 0.0624(4) 0.4444(4) 0.083(2) Uani 0.458(5) 1 d D U P E 2
F20A F 0.4081(11) 0.0093(9) 0.3580(8) 0.069(3) Uani 0.458(5) 1 d D U P E 2
F21A F 0.5329(6) 0.0421(5) 0.3577(6) 0.070(2) Uani 0.458(5) 1 d D U P E 2
F22A F 0.4567(5) 0.0886(4) 0.2284(4) 0.072(2) Uani 0.458(5) 1 d D U P E 2
F23A F 0.3316(10) 0.0889(9) 0.2435(11) 0.065(4) Uani 0.458(5) 1 d D U P E 2
F24A F 0.3997(5) 0.1881(4) 0.2259(3) 0.0561(16) Uani 0.458(5) 1 d D U P E 2
F25A F 0.3230(3) 0.2107(3) 0.3326(4) 0.0573(16) Uani 0.458(5) 1 d D U P E 2
F26A F 0.3974(9) 0.1829(6) 0.4404(5) 0.068(3) Uani 0.458(5) 1 d D U P E 2
F27A F 0.3080(11) 0.1137(10) 0.3757(10) 0.093(5) Uani 0.458(5) 1 d D U P E 2
F28A F 0.3729(8) 0.3377(5) 0.2112(4) 0.073(3) Uani 0.436(11) 1 d D U P F 2
F29A F 0.2983(4) 0.3424(4) 0.2928(7) 0.071(3) Uani 0.436(11) 1 d D U P F 2
F30A F 0.3355(9) 0.4318(6) 0.2489(6) 0.064(3) Uani 0.436(11) 1 d D U P F 2
F31A F 0.5851(6) 0.4047(6) 0.3534(7) 0.068(3) Uani 0.436(11) 1 d D U P F 2
F32A F 0.5125(7) 0.4133(6) 0.2439(7) 0.067(3) Uani 0.436(11) 1 d D U P F 2
F33A F 0.4936(12) 0.4838(7) 0.3281(8) 0.076(4) Uani 0.436(11) 1 d D U P F 2
F34A F 0.3722(7) 0.4448(5) 0.3952(6) 0.073(3) Uani 0.436(11) 1 d D U P F 2
F35A F 0.4896(9) 0.4056(5) 0.4527(5) 0.075(3) Uani 0.436(11) 1 d D U P F 2
F36A F 0.3837(7) 0.3394(5) 0.4300(6) 0.074(3) Uani 0.436(11) 1 d D U P F 2
C37A C 0.5849(3) 0.2867(2) 0.59727(19) 0.0398(8) Uani 0.944(3) 1 d D U P D 2
C38A C 0.7093(2) 0.2834(2) 0.5379(2) 0.0369(8) Uani 0.944(3) 1 d D U P D 2
C39A C 0.6324(2) 0.17514(19) 0.55566(18) 0.0361(8) Uani 0.944(3) 1 d D U P D 2
C41A C 0.4599(6) 0.0601(5) 0.3734(6) 0.056(2) Uani 0.458(5) 1 d D U P E 2
C42A C 0.4029(6) 0.1267(5) 0.2565(5) 0.048(2) Uani 0.458(5) 1 d D U P E 2
C43A C 0.3642(5) 0.1619(5) 0.3730(5) 0.0473(19) Uani 0.458(5) 1 d D U P E 2
C45A C 0.3633(6) 0.3701(6) 0.2705(6) 0.045(2) Uani 0.436(11) 1 d D U P F 2
C46A C 0.5098(7) 0.4201(7) 0.3139(7) 0.043(3) Uani 0.436(11) 1 d D U P F 2
C47A C 0.4192(8) 0.3904(6) 0.4045(6) 0.053(3) Uani 0.436(11) 1 d D U P F 2
Sn1 Sn 0.22110(2) 0.25498(2) 0.50319(2) 0.01990(8) Uani 1 1 d . . . . .
N1 N 0.13438(13) 0.17976(11) 0.51451(11) 0.0148(4) Uani 1 1 d . . . . .
N2 N 0.13248(14) 0.32930(11) 0.51112(11) 0.0153(4) Uani 1 1 d . . . . .
N3 N 0.00608(14) 0.13529(12) 0.53168(12) 0.0194(4) Uani 1 1 d . . . . .
N4 N 0.00366(14) 0.37388(12) 0.52583(13) 0.0192(4) Uani 1 1 d . . . . .
C1 C 0.05517(16) 0.18984(13) 0.52483(13) 0.0152(5) Uani 1 1 d . . . . .
C2 C 0.02072(18) 0.25434(12) 0.52972(14) 0.0155(5) Uani 1 1 d . . . . .
H2 H -0.033814 0.254304 0.540041 0.019 Uiso 1 1 calc R U . . .
C3 C 0.05344(16) 0.31858(13) 0.52191(13) 0.0149(5) Uani 1 1 d . . . . .
C4 C 0.04145(18) 0.07439(14) 0.57065(15) 0.0222(5) Uani 1 1 d . . . . .
H4A H 0.050705 0.040332 0.535495 0.033 Uiso 1 1 calc R U . . .
H4B H 0.002032 0.056661 0.598459 0.033 Uiso 1 1 calc R U . . .
H4C H 0.095345 0.085286 0.604168 0.033 Uiso 1 1 calc R U . . .
C5 C -0.08534(18) 0.14249(16) 0.52204(18) 0.0267(6) Uani 1 1 d . . . . .
H5A H -0.097974 0.158931 0.567517 0.040 Uiso 1 1 calc R U . . .
H5B H -0.112533 0.098572 0.509433 0.040 Uiso 1 1 calc R U . . .
H5C H -0.106748 0.174773 0.482693 0.040 Uiso 1 1 calc R U . . .
C6 C -0.08715(17) 0.36533(15) 0.51721(17) 0.0252(6) Uani 1 1 d . . . . .
H6A H -0.107954 0.331499 0.479360 0.038 Uiso 1 1 calc R U . . .
H6B H -0.115685 0.408462 0.502922 0.038 Uiso 1 1 calc R U . . .
H6C H -0.098853 0.350277 0.563542 0.038 Uiso 1 1 calc R U . . .
C7 C 0.03817(19) 0.43097(15) 0.57245(16) 0.0251(6) Uani 1 1 d . . . . .
H7A H 0.089586 0.416785 0.607436 0.038 Uiso 1 1 calc R U . . .
H7B H -0.003627 0.446589 0.598941 0.038 Uiso 1 1 calc R U . . .
H7C H 0.051674 0.467784 0.542209 0.038 Uiso 1 1 calc R U . . .
C8 C 0.15962(16) 0.11540(13) 0.48873(14) 0.0160(5) Uani 1 1 d . . . . .
C9 C 0.12037(17) 0.09335(13) 0.41788(14) 0.0175(5) Uani 1 1 d . . . . .
C10 C 0.14818(17) 0.03272(14) 0.39385(15) 0.0206(5) Uani 1 1 d . . . . .
H10 H 0.121542 0.016183 0.346835 0.025 Uiso 1 1 calc R U . . .
C11 C 0.21334(18) -0.00395(14) 0.43646(16) 0.0236(6) Uani 1 1 d . . . . .
H11 H 0.231216 -0.045011 0.418657 0.028 Uiso 1 1 calc R U . . .
C12 C 0.25267(18) 0.01939(14) 0.50542(16) 0.0227(5) Uani 1 1 d . . . . .
H12 H 0.298003 -0.005712 0.534240 0.027 Uiso 1 1 calc R U . . .
C13 C 0.22678(17) 0.07904(14) 0.53312(14) 0.0185(5) Uani 1 1 d . . . . .
C14 C 0.27090(17) 0.10153(15) 0.60980(14) 0.0218(5) Uani 1 1 d . . . . .
H14 H 0.239049 0.140957 0.623118 0.026 Uiso 1 1 calc R U . . .
C15 C 0.36169(19) 0.12459(17) 0.61306(17) 0.0292(6) Uani 1 1 d . . . . .
H15A H 0.394215 0.086873 0.599780 0.044 Uiso 1 1 calc R U . . .
H15B H 0.387813 0.139679 0.662686 0.044 Uiso 1 1 calc R U . . .
H15C H 0.361080 0.161966 0.578803 0.044 Uiso 1 1 calc R U . . .
C16 C 0.2714(2) 0.04595(18) 0.66667(17) 0.0328(7) Uani 1 1 d . . . . .
H16A H 0.213569 0.029921 0.663162 0.049 Uiso 1 1 calc R U . . .
H16B H 0.294148 0.064113 0.715663 0.049 Uiso 1 1 calc R U . . .
H16C H 0.306699 0.008315 0.657515 0.049 Uiso 1 1 calc R U . . .
C17 C 0.05193(19) 0.13295(14) 0.36627(14) 0.0220(5) Uani 1 1 d . . . . .
H17 H 0.041251 0.175286 0.391708 0.026 Uiso 1 1 calc R U . . .
C18 C -0.0310(2) 0.09371(17) 0.34552(17) 0.0297(6) Uani 1 1 d . . . . .
H18A H -0.022539 0.052642 0.319025 0.045 Uiso 1 1 calc R U . . .
H18B H -0.074203 0.121894 0.314354 0.045 Uiso 1 1 calc R U . . .
H18C H -0.049563 0.081435 0.389868 0.045 Uiso 1 1 calc R U . . .
C19 C 0.0815(2) 0.15305(18) 0.29721(17) 0.0352(7) Uani 1 1 d . . . . .
H19A H 0.134898 0.177854 0.311096 0.053 Uiso 1 1 calc R U . . .
H19B H 0.038684 0.181802 0.266415 0.053 Uiso 1 1 calc R U . . .
H19C H 0.089730 0.112326 0.270069 0.053 Uiso 1 1 calc R U . . .
C20 C 0.15632(16) 0.39229(13) 0.48159(13) 0.0155(5) Uani 1 1 d . . . . .
C21 C 0.11966(16) 0.40881(13) 0.40810(14) 0.0181(5) Uani 1 1 d . . . . .
C22 C 0.14867(18) 0.46629(14) 0.37902(15) 0.0221(5) Uani 1 1 d . . . . .
H22 H 0.123873 0.478902 0.330104 0.027 Uiso 1 1 calc R U . . .
C23 C 0.21301(18) 0.50560(14) 0.41987(16) 0.0239(6) Uani 1 1 d . . . . .
H23 H 0.232359 0.544381 0.398810 0.029 Uiso 1 1 calc R U . . .
C24 C 0.24891(17) 0.48805(14) 0.49149(15) 0.0211(5) Uani 1 1 d . . . . .
H24 H 0.293294 0.514952 0.519017 0.025 Uiso 1 1 calc R U . . .
C25 C 0.22148(16) 0.43203(13) 0.52396(14) 0.0175(5) Uani 1 1 d . . . . .
C26 C 0.26270(18) 0.41619(14) 0.60325(14) 0.0216(5) Uani 1 1 d . . . . .
H26 H 0.230232 0.378681 0.619660 0.026 Uiso 1 1 calc R U . . .
C27 C 0.2600(2) 0.47764(17) 0.65289(17) 0.0314(7) Uani 1 1 d . . . . .
H27A H 0.292803 0.514704 0.638612 0.047 Uiso 1 1 calc R U . . .
H27B H 0.284222 0.465224 0.703790 0.047 Uiso 1 1 calc R U . . .
H27C H 0.201329 0.492089 0.647846 0.047 Uiso 1 1 calc R U . . .
C28 C 0.3541(2) 0.39250(18) 0.61136(17) 0.0326(7) Uani 1 1 d . . . . .
H28A H 0.354642 0.350351 0.584198 0.049 Uiso 1 1 calc R U . . .
H28B H 0.379937 0.384872 0.663094 0.049 Uiso 1 1 calc R U . . .
H28C H 0.386033 0.427143 0.591973 0.049 Uiso 1 1 calc R U . . .
C29 C 0.05198(18) 0.36587(14) 0.35911(14) 0.0213(5) Uani 1 1 d . . . . .
H29 H 0.042145 0.325002 0.387277 0.026 Uiso 1 1 calc R U . . .
C30 C -0.03162(19) 0.40466(16) 0.33673(17) 0.0282(6) Uani 1 1 d . . . . .
H30A H -0.050774 0.417771 0.380532 0.042 Uiso 1 1 calc R U . . .
H30B H -0.074279 0.375779 0.305963 0.042 Uiso 1 1 calc R U . . .
H30C H -0.023195 0.445216 0.309389 0.042 Uiso 1 1 calc R U . . .
C31 C 0.0811(2) 0.34223(18) 0.29100(17) 0.0337(7) Uani 1 1 d . . . . .
H31A H 0.086960 0.381384 0.260698 0.051 Uiso 1 1 calc R U . . .
H31B H 0.039176 0.311044 0.262916 0.051 Uiso 1 1 calc R U . . .
H31C H 0.135603 0.319172 0.305930 0.051 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
C C 0.0181 0.0091 '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'
Al Al 0.2130 0.2455 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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
O2 Al1 O3 113.63(11) . . ?
O2 Al1 O4 108.76(12) . . ?
O3 Al1 O4 108.42(11) . . ?
O2 Al1 O1 107.30(12) . . ?
O3 Al1 O1 106.54(11) . . ?
O4 Al1 O1 112.26(11) . . ?
C32 O1 Al1 146.6(2) . . ?
C36 O2 Al1 149.1(2) . . ?
C40 O3 Al1 146.5(2) . . ?
C44 O4 Al1 150.3(2) . . ?
O1 C32 C33 109.2(2) . . ?
O1 C32 C35 112.3(2) . . ?
C33 C32 C35 108.3(2) . . ?
O1 C32 C34 110.8(2) . . ?
C33 C32 C34 108.2(2) . . ?
C35 C32 C34 107.9(2) . . ?
F1 C33 F3 107.5(3) . . ?
F1 C33 F2 107.9(2) . . ?
F3 C33 F2 106.3(3) . . ?
F2A C33 F1A 107.6(9) . . ?
F2A C33 F3A 106.6(9) . . ?
F1A C33 F3A 106.2(8) . . ?
F1 C33 C32 110.8(2) . . ?
F2A C33 C32 132.8(18) . . ?
F3 C33 C32 113.2(2) . . ?
F2 C33 C32 110.9(3) . . ?
F1A C33 C32 113.9(15) . . ?
F3A C33 C32 82.8(19) . . ?
F4 C34 F5 107.9(3) . . ?
F4 C34 F6 107.4(3) . . ?
F5 C34 F6 106.5(2) . . ?
F5A C34 F6A 108.8(9) . . ?
F5A C34 F4A 108.7(9) . . ?
F6A C34 F4A 107.5(9) . . ?
F4 C34 C32 110.8(2) . . ?
F5A C34 C32 117.6(17) . . ?
F5 C34 C32 112.5(3) . . ?
F6 C34 C32 111.4(3) . . ?
F6A C34 C32 115.7(18) . . ?
F4A C34 C32 97(2) . . ?
F8 C35 F7 108.9(3) . . ?
F8 C35 F9 106.9(3) . . ?
F7 C35 F9 106.7(3) . . ?
F9A C35 F7A 106.9(9) . . ?
F9A C35 F8A 105.9(8) . . ?
F7A C35 F8A 105.5(8) . . ?
F8 C35 C32 110.7(2) . . ?
F7 C35 C32 113.2(3) . . ?
F9 C35 C32 110.2(2) . . ?
F9A C35 C32 122.7(19) . . ?
F7A C35 C32 123.1(18) . . ?
F8A C35 C32 86.9(16) . . ?
O2 C36 C38 101.2(11) . . ?
O2 C36 C39A 110.6(2) . . ?
O2 C36 C37A 109.4(3) . . ?
C39A C36 C37A 109.1(3) . . ?
O2 C36 C39 129.4(12) . . ?
C38 C36 C39 113.4(13) . . ?
O2 C36 C38A 110.2(3) . . ?
C39A C36 C38A 109.5(3) . . ?
C37A C36 C38A 108.0(3) . . ?
O2 C36 C37 83.9(10) . . ?
C38 C36 C37 114.2(14) . . ?
C39 C36 C37 111.7(13) . . ?
O3 C40 C41A 110.6(4) . . ?
O3 C40 C43 110.1(3) . . ?
O3 C40 C42A 106.4(4) . . ?
C41A C40 C42A 112.7(6) . . ?
O3 C40 C42 111.9(4) . . ?
C43 C40 C42 110.2(4) . . ?
O3 C40 C41 107.6(4) . . ?
C43 C40 C41 108.6(5) . . ?
C42 C40 C41 108.4(4) . . ?
O3 C40 C43A 110.4(4) . . ?
C41A C40 C43A 110.0(5) . . ?
C42A C40 C43A 106.6(5) . . ?
O4 C44 C47A 110.0(5) . . ?
O4 C44 C45 113.4(4) . . ?
O4 C44 C46A 109.9(6) . . ?
C47A C44 C46A 114.6(7) . . ?
O4 C44 C46 110.3(4) . . ?
C45 C44 C46 109.4(5) . . ?
O4 C44 C45A 103.9(5) . . ?
C47A C44 C45A 109.4(6) . . ?
C46A C44 C45A 108.4(6) . . ?
O4 C44 C47 112.7(4) . . ?
C45 C44 C47 106.0(5) . . ?
C46 C44 C47 104.6(5) . . ?
F12 C37 F10 100(2) . . ?
F12 C37 F11 100(2) . . ?
F10 C37 F11 98.3(19) . . ?
F12 C37 C36 105(2) . . ?
F10 C37 C36 119(2) . . ?
F11 C37 C36 129(2) . . ?
F13 C38 F15 108.7(9) . . ?
F13 C38 F14 108.6(9) . . ?
F15 C38 F14 108.3(9) . . ?
F13 C38 C36 113(3) . . ?
F15 C38 C36 115(2) . . ?
F14 C38 C36 102(3) . . ?
F18 C39 F16 107.3(8) . . ?
F18 C39 F17 107.1(8) . . ?
F16 C39 F17 107.4(8) . . ?
F18 C39 C36 104(3) . . ?
F16 C39 C36 126(2) . . ?
F17 C39 C36 104(2) . . ?
F20 C41 F21 100.2(7) . . ?
F20 C41 F19 115.4(9) . . ?
F21 C41 F19 107.2(7) . . ?
F20 C41 C40 110.3(8) . . ?
F21 C41 C40 111.4(6) . . ?
F19 C41 C40 111.6(6) . . ?
F23 C42 F22 105.2(9) . . ?
F23 C42 F24 102.2(9) . . ?
F22 C42 F24 110.6(7) . . ?
F23 C42 C40 118.3(8) . . ?
F22 C42 C40 110.8(6) . . ?
F24 C42 C40 109.4(6) . . ?
F26 C43 F27 108.6(6) . . ?
F26 C43 F25 107.1(7) . . ?
F27 C43 F25 106.2(8) . . ?
F26 C43 C40 111.4(6) . . ?
F27 C43 C40 113.8(6) . . ?
F25 C43 C40 109.4(6) . . ?
F28 C45 F30 108.8(8) . . ?
F28 C45 F29 110.1(8) . . ?
F30 C45 F29 109.2(8) . . ?
F28 C45 C44 106.7(6) . . ?
F30 C45 C44 113.9(8) . . ?
F29 C45 C44 108.2(6) . . ?
F31 C46 F32 105.9(8) . . ?
F31 C46 F33 107.4(9) . . ?
F32 C46 F33 108.0(8) . . ?
F31 C46 C44 111.2(7) . . ?
F32 C46 C44 109.3(7) . . ?
F33 C46 C44 114.6(7) . . ?
F36 C47 F34 105.3(7) . . ?
F36 C47 F35 106.2(7) . . ?
F34 C47 F35 106.9(7) . . ?
F36 C47 C44 109.9(6) . . ?
F34 C47 C44 115.5(6) . . ?
F35 C47 C44 112.5(6) . . ?
F12A C37A F10A 107.0(3) . . ?
F12A C37A F11A 108.9(3) . . ?
F10A C37A F11A 107.9(3) . . ?
F12A C37A C36 111.1(3) . . ?
F10A C37A C36 109.9(3) . . ?
F11A C37A C36 111.8(3) . . ?
F13A C38A F15A 107.6(3) . . ?
F13A C38A F14A 107.5(3) . . ?
F15A C38A F14A 106.7(3) . . ?
F13A C38A C36 113.1(3) . . ?
F15A C38A C36 110.9(3) . . ?
F14A C38A C36 110.7(3) . . ?
F17A C39A F18A 108.7(3) . . ?
F17A C39A F16A 107.7(3) . . ?
F18A C39A F16A 106.9(3) . . ?
F17A C39A C36 111.0(3) . . ?
F18A C39A C36 110.5(3) . . ?
F16A C39A C36 111.9(3) . . ?
F20A C41A F19A 99.3(9) . . ?
F20A C41A F21A 107.9(13) . . ?
F19A C41A F21A 110.4(10) . . ?
F20A C41A C40 121.3(11) . . ?
F19A C41A C40 110.2(8) . . ?
F21A C41A C40 107.4(7) . . ?
F24A C42A F22A 107.7(9) . . ?
F24A C42A F23A 118.3(12) . . ?
F22A C42A F23A 103.0(11) . . ?
F24A C42A C40 112.1(7) . . ?
F22A C42A C40 107.7(7) . . ?
F23A C42A C40 107.2(10) . . ?
F25A C43A F26A 111.4(9) . . ?
F25A C43A F27A 106.6(12) . . ?
F26A C43A F27A 108.9(12) . . ?
F25A C43A C40 113.5(7) . . ?
F26A C43A C40 108.8(9) . . ?
F27A C43A C40 107.5(11) . . ?
F28A C45A F30A 106.5(9) . . ?
F28A C45A F29A 108.6(10) . . ?
F30A C45A F29A 103.5(9) . . ?
F28A C45A C44 115.0(8) . . ?
F30A C45A C44 112.2(9) . . ?
F29A C45A C44 110.3(7) . . ?
F31A C46A F33A 107.9(13) . . ?
F31A C46A F32A 107.4(11) . . ?
F33A C46A F32A 110.3(11) . . ?
F31A C46A C44 108.5(9) . . ?
F33A C46A C44 110.7(12) . . ?
F32A C46A C44 111.9(9) . . ?
F36A C47A F34A 113.0(10) . . ?
F36A C47A F35A 108.1(9) . . ?
F34A C47A F35A 107.0(10) . . ?
F36A C47A C44 111.2(8) . . ?
F34A C47A C44 110.5(8) . . ?
F35A C47A C44 106.6(8) . . ?
N2 Sn1 N1 90.14(9) . . ?
C1 N1 C8 121.6(2) . . ?
C1 N1 Sn1 126.25(17) . . ?
C8 N1 Sn1 109.96(15) . . ?
C3 N2 C20 122.2(2) . . ?
C3 N2 Sn1 126.17(17) . . ?
C20 N2 Sn1 109.21(15) . . ?
C1 N3 C4 121.9(2) . . ?
C1 N3 C5 120.7(2) . . ?
C4 N3 C5 114.6(2) . . ?
C3 N4 C6 119.7(2) . . ?
C3 N4 C7 119.9(2) . . ?
C6 N4 C7 113.4(2) . . ?
N1 C1 N3 119.3(2) . . ?
N1 C1 C2 123.2(2) . . ?
N3 C1 C2 117.5(2) . . ?
C3 C2 C1 130.7(3) . . ?
C3 C2 H2 114.6 . . ?
C1 C2 H2 114.6 . . ?
N2 C3 N4 118.1(2) . . ?
N2 C3 C2 123.5(2) . . ?
N4 C3 C2 118.4(2) . . ?
N3 C4 H4A 109.5 . . ?
N3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N3 C5 H5A 109.5 . . ?
N3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
N3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N4 C6 H6A 109.5 . . ?
N4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N4 C7 H7A 109.5 . . ?
N4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C13 121.6(2) . . ?
C9 C8 N1 119.0(2) . . ?
C13 C8 N1 119.2(2) . . ?
C10 C9 C8 117.6(2) . . ?
C10 C9 C17 118.8(2) . . ?
C8 C9 C17 123.6(2) . . ?
C11 C10 C9 121.8(3) . . ?
C11 C10 H10 119.1 . . ?
C9 C10 H10 119.1 . . ?
C10 C11 C12 119.8(3) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C13 121.2(3) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
C12 C13 C8 118.0(2) . . ?
C12 C13 C14 119.0(2) . . ?
C8 C13 C14 123.0(2) . . ?
C13 C14 C15 111.5(2) . . ?
C13 C14 C16 112.1(2) . . ?
C15 C14 C16 109.5(2) . . ?
C13 C14 H14 107.8 . . ?
C15 C14 H14 107.8 . . ?
C16 C14 H14 107.8 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C9 C17 C18 112.1(2) . . ?
C9 C17 C19 110.5(3) . . ?
C18 C17 C19 110.1(2) . . ?
C9 C17 H17 108.0 . . ?
C18 C17 H17 108.0 . . ?
C19 C17 H17 108.0 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C25 C20 C21 121.2(2) . . ?
C25 C20 N2 119.6(2) . . ?
C21 C20 N2 118.9(2) . . ?
C22 C21 C20 118.0(2) . . ?
C22 C21 C29 118.8(2) . . ?
C20 C21 C29 123.2(2) . . ?
C23 C22 C21 121.5(3) . . ?
C23 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C24 C23 C22 119.7(3) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C24 C25 121.5(3) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C24 C25 C20 118.2(2) . . ?
C24 C25 C26 118.8(2) . . ?
C20 C25 C26 123.0(2) . . ?
C25 C26 C28 111.2(2) . . ?
C25 C26 C27 111.4(2) . . ?
C28 C26 C27 110.0(2) . . ?
C25 C26 H26 108.1 . . ?
C28 C26 H26 108.1 . . ?
C27 C26 H26 108.1 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C21 C29 C30 111.0(2) . . ?
C21 C29 C31 110.9(2) . . ?
C30 C29 C31 110.2(2) . . ?
C21 C29 H29 108.2 . . ?
C30 C29 H29 108.2 . . ?
C31 C29 H29 108.2 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 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
Al1 O2 1.716(2) . ?
Al1 O3 1.721(2) . ?
Al1 O4 1.722(2) . ?
Al1 O1 1.748(2) . ?
O1 C32 1.329(4) . ?
O2 C36 1.340(4) . ?
O3 C40 1.352(4) . ?
O4 C44 1.337(4) . ?
C32 C33 1.552(4) . ?
C32 C35 1.558(4) . ?
C32 C34 1.564(4) . ?
C33 F1 1.325(4) . ?
C33 F2A 1.343(8) . ?
C33 F3 1.345(3) . ?
C33 F2 1.346(4) . ?
C33 F1A 1.352(8) . ?
C33 F3A 1.361(8) . ?
C34 F4 1.327(4) . ?
C34 F5A 1.330(8) . ?
C34 F5 1.341(3) . ?
C34 F6 1.341(3) . ?
C34 F6A 1.345(8) . ?
C34 F4A 1.348(8) . ?
C35 F8 1.327(4) . ?
C35 F7 1.333(3) . ?
C35 F9 1.339(4) . ?
C35 F9A 1.350(8) . ?
C35 F7A 1.351(8) . ?
C35 F8A 1.367(8) . ?
C36 C38 1.522(15) . ?
C36 C39A 1.544(4) . ?
C36 C37A 1.552(4) . ?
C36 C39 1.560(15) . ?
C36 C38A 1.567(5) . ?
C36 C37 1.571(16) . ?
C40 C41A 1.518(9) . ?
C40 C43 1.536(7) . ?
C40 C42A 1.545(9) . ?
C40 C42 1.548(8) . ?
C40 C41 1.573(8) . ?
C40 C43A 1.590(8) . ?
C44 C47A 1.496(9) . ?
C44 C45 1.527(8) . ?
C44 C46A 1.549(11) . ?
C44 C46 1.557(9) . ?
C44 C45A 1.580(10) . ?
C44 C47 1.580(9) . ?
F10 C37 1.358(16) . ?
F11 C37 1.363(16) . ?
F12 C37 1.352(16) . ?
F13 C38 1.338(8) . ?
F14 C38 1.343(8) . ?
F15 C38 1.339(8) . ?
F16 C39 1.349(7) . ?
F17 C39 1.350(7) . ?
F18 C39 1.348(7) . ?
F19 C41 1.343(9) . ?
F20 C41 1.309(10) . ?
F21 C41 1.330(9) . ?
F22 C42 1.318(8) . ?
F23 C42 1.301(10) . ?
F24 C42 1.319(8) . ?
F25 C43 1.341(9) . ?
F26 C43 1.326(9) . ?
F27 C43 1.341(8) . ?
F28 C45 1.324(9) . ?
F29 C45 1.359(10) . ?
F30 C45 1.329(9) . ?
F31 C46 1.320(9) . ?
F32 C46 1.323(9) . ?
F33 C46 1.334(9) . ?
F34 C47 1.336(8) . ?
F35 C47 1.355(9) . ?
F36 C47 1.331(9) . ?
F10A C37A 1.332(5) . ?
F11A C37A 1.337(4) . ?
F12A C37A 1.331(5) . ?
F13A C38A 1.328(4) . ?
F14A C38A 1.340(5) . ?
F15A C38A 1.335(5) . ?
F16A C39A 1.348(4) . ?
F17A C39A 1.317(5) . ?
F18A C39A 1.328(4) . ?
F19A C41A 1.313(11) . ?
F20A C41A 1.302(11) . ?
F21A C41A 1.335(11) . ?
F22A C42A 1.350(10) . ?
F23A C42A 1.354(11) . ?
F24A C42A 1.342(10) . ?
F25A C43A 1.315(10) . ?
F26A C43A 1.326(11) . ?
F27A C43A 1.329(12) . ?
F28A C45A 1.327(11) . ?
F29A C45A 1.340(10) . ?
F30A C45A 1.333(11) . ?
F31A C46A 1.315(11) . ?
F32A C46A 1.334(11) . ?
F33A C46A 1.328(12) . ?
F34A C47A 1.310(11) . ?
F35A C47A 1.323(11) . ?
F36A C47A 1.308(11) . ?
Sn1 N2 2.089(2) . ?
Sn1 N1 2.095(2) . ?
N1 C1 1.360(3) . ?
N1 C8 1.456(3) . ?
N2 C3 1.363(3) . ?
N2 C20 1.454(3) . ?
N3 C1 1.367(3) . ?
N3 C4 1.460(3) . ?
N3 C5 1.463(4) . ?
N4 C3 1.374(3) . ?
N4 C6 1.458(3) . ?
N4 C7 1.462(3) . ?
C1 C2 1.406(4) . ?
C2 C3 1.400(4) . ?
C2 H2 0.9500 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.409(4) . ?
C8 C13 1.412(4) . ?
C9 C10 1.394(4) . ?
C9 C17 1.518(4) . ?
C10 C11 1.380(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.388(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.394(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.524(4) . ?
C14 C15 1.533(4) . ?
C14 C16 1.534(4) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.529(4) . ?
C17 C19 1.537(4) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C25 1.412(4) . ?
C20 C21 1.414(4) . ?
C21 C22 1.391(4) . ?
C21 C29 1.524(4) . ?
C22 C23 1.388(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.388(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.522(4) . ?
C26 C28 1.532(4) . ?
C26 C27 1.541(4) . ?
C26 H26 1.0000 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.535(4) . ?
C29 C31 1.536(4) . ?
C29 H29 1.0000 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 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
O2 Al1 O1 C32 155.0(4) . . . . ?
O3 Al1 O1 C32 33.0(4) . . . . ?
O4 Al1 O1 C32 -85.5(4) . . . . ?
O3 Al1 O2 C36 81.4(4) . . . . ?
O4 Al1 O2 C36 -157.8(4) . . . . ?
O1 Al1 O2 C36 -36.1(4) . . . . ?
O2 Al1 O3 C40 77.9(4) . . . . ?
O4 Al1 O3 C40 -43.1(4) . . . . ?
O1 Al1 O3 C40 -164.2(4) . . . . ?
O2 Al1 O4 C44 40.7(5) . . . . ?
O3 Al1 O4 C44 164.7(4) . . . . ?
O1 Al1 O4 C44 -77.8(4) . . . . ?
Al1 O1 C32 C33 173.1(3) . . . . ?
Al1 O1 C32 C35 52.9(5) . . . . ?
Al1 O1 C32 C34 -67.8(4) . . . . ?
O1 C32 C33 F1 -42.5(3) . . . . ?
C35 C32 C33 F1 80.0(3) . . . . ?
C34 C32 C33 F1 -163.3(2) . . . . ?
O1 C32 C33 F2A 58(2) . . . . ?
C35 C32 C33 F2A -179(2) . . . . ?
C34 C32 C33 F2A -63(2) . . . . ?
O1 C32 C33 F3 -163.4(3) . . . . ?
C35 C32 C33 F3 -40.9(3) . . . . ?
C34 C32 C33 F3 75.8(3) . . . . ?
O1 C32 C33 F2 77.3(3) . . . . ?
C35 C32 C33 F2 -160.2(2) . . . . ?
C34 C32 C33 F2 -43.5(3) . . . . ?
O1 C32 C33 F1A -91.4(17) . . . . ?
C35 C32 C33 F1A 31.1(17) . . . . ?
C34 C32 C33 F1A 147.8(17) . . . . ?
O1 C32 C33 F3A 164.1(16) . . . . ?
C35 C32 C33 F3A -73.4(16) . . . . ?
C34 C32 C33 F3A 43.3(16) . . . . ?
O1 C32 C34 F4 -39.2(3) . . . . ?
C33 C32 C34 F4 80.5(3) . . . . ?
C35 C32 C34 F4 -162.5(2) . . . . ?
O1 C32 C34 F5A -118.2(19) . . . . ?
C33 C32 C34 F5A 1.5(19) . . . . ?
C35 C32 C34 F5A 118.5(19) . . . . ?
O1 C32 C34 F5 -160.2(2) . . . . ?
C33 C32 C34 F5 -40.4(3) . . . . ?
C35 C32 C34 F5 76.6(3) . . . . ?
O1 C32 C34 F6 80.4(3) . . . . ?
C33 C32 C34 F6 -159.9(2) . . . . ?
C35 C32 C34 F6 -42.9(3) . . . . ?
O1 C32 C34 F6A 12.6(18) . . . . ?
C33 C32 C34 F6A 132.4(18) . . . . ?
C35 C32 C34 F6A -110.7(18) . . . . ?
O1 C32 C34 F4A 126.1(17) . . . . ?
C33 C32 C34 F4A -114.1(17) . . . . ?
C35 C32 C34 F4A 2.9(17) . . . . ?
O1 C32 C35 F8 -43.2(3) . . . . ?
C33 C32 C35 F8 -163.9(3) . . . . ?
C34 C32 C35 F8 79.2(3) . . . . ?
O1 C32 C35 F7 -165.8(3) . . . . ?
C33 C32 C35 F7 73.5(3) . . . . ?
C34 C32 C35 F7 -43.4(3) . . . . ?
O1 C32 C35 F9 74.8(3) . . . . ?
C33 C32 C35 F9 -45.9(3) . . . . ?
C34 C32 C35 F9 -162.8(2) . . . . ?
O1 C32 C35 F9A -7.1(19) . . . . ?
C33 C32 C35 F9A -127.8(19) . . . . ?
C34 C32 C35 F9A 115.3(19) . . . . ?
O1 C32 C35 F7A 139.3(18) . . . . ?
C33 C32 C35 F7A 18.6(18) . . . . ?
C34 C32 C35 F7A -98.3(18) . . . . ?
O1 C32 C35 F8A -114.1(14) . . . . ?
C33 C32 C35 F8A 125.2(14) . . . . ?
C34 C32 C35 F8A 8.3(14) . . . . ?
Al1 O2 C36 C38 83.9(13) . . . . ?
Al1 O2 C36 C39A -63.0(5) . . . . ?
Al1 O2 C36 C37A 176.8(3) . . . . ?
Al1 O2 C36 C39 -49.4(14) . . . . ?
Al1 O2 C36 C38A 58.2(5) . . . . ?
Al1 O2 C36 C37 -162.6(10) . . . . ?
Al1 O3 C40 C41A -134.0(5) . . . . ?
Al1 O3 C40 C43 -43.2(6) . . . . ?
Al1 O3 C40 C42A 103.3(5) . . . . ?
Al1 O3 C40 C42 79.7(5) . . . . ?
Al1 O3 C40 C41 -161.4(4) . . . . ?
Al1 O3 C40 C43A -12.0(6) . . . . ?
Al1 O4 C44 C47A -62.5(7) . . . . ?
Al1 O4 C44 C45 -158.5(5) . . . . ?
Al1 O4 C44 C46A 64.6(7) . . . . ?
Al1 O4 C44 C46 78.5(6) . . . . ?
Al1 O4 C44 C45A -179.5(5) . . . . ?
Al1 O4 C44 C47 -38.0(7) . . . . ?
O2 C36 C37 F12 -89.5(18) . . . . ?
C38 C36 C37 F12 10(2) . . . . ?
C39 C36 C37 F12 140(2) . . . . ?
O2 C36 C37 F10 21.5(19) . . . . ?
C38 C36 C37 F10 121(2) . . . . ?
C39 C36 C37 F10 -109(2) . . . . ?
O2 C36 C37 F11 154(3) . . . . ?
C38 C36 C37 F11 -107(3) . . . . ?
C39 C36 C37 F11 24(3) . . . . ?
O2 C36 C38 F13 151.0(19) . . . . ?
C39 C36 C38 F13 -67(2) . . . . ?
C37 C36 C38 F13 63(2) . . . . ?
O2 C36 C38 F15 25(2) . . . . ?
C39 C36 C38 F15 167(2) . . . . ?
C37 C36 C38 F15 -63(3) . . . . ?
O2 C36 C38 F14 -92.2(17) . . . . ?
C39 C36 C38 F14 50(2) . . . . ?
C37 C36 C38 F14 179(2) . . . . ?
O2 C36 C39 F18 20.4(19) . . . . ?
C38 C36 C39 F18 -109(2) . . . . ?
C37 C36 C39 F18 120.7(19) . . . . ?
O2 C36 C39 F16 -104(2) . . . . ?
C38 C36 C39 F16 127(3) . . . . ?
C37 C36 C39 F16 -3(3) . . . . ?
O2 C36 C39 F17 132.3(17) . . . . ?
C38 C36 C39 F17 3(3) . . . . ?
C37 C36 C39 F17 -127(2) . . . . ?
O3 C40 C41 F20 174.0(6) . . . . ?
C43 C40 C41 F20 54.8(8) . . . . ?
C42 C40 C41 F20 -64.8(8) . . . . ?
O3 C40 C41 F21 -75.6(6) . . . . ?
C43 C40 C41 F21 165.2(5) . . . . ?
C42 C40 C41 F21 45.6(7) . . . . ?
O3 C40 C41 F19 44.2(8) . . . . ?
C43 C40 C41 F19 -74.9(8) . . . . ?
C42 C40 C41 F19 165.4(7) . . . . ?
O3 C40 C42 F23 165.2(9) . . . . ?
C43 C40 C42 F23 -71.9(10) . . . . ?
C41 C40 C42 F23 46.8(10) . . . . ?
O3 C40 C42 F22 43.7(8) . . . . ?
C43 C40 C42 F22 166.6(6) . . . . ?
C41 C40 C42 F22 -74.8(8) . . . . ?
O3 C40 C42 F24 -78.5(6) . . . . ?
C43 C40 C42 F24 44.4(7) . . . . ?
C41 C40 C42 F24 163.0(6) . . . . ?
O3 C40 C43 F26 -75.8(6) . . . . ?
C42 C40 C43 F26 160.3(5) . . . . ?
C41 C40 C43 F26 41.8(6) . . . . ?
O3 C40 C43 F27 161.0(7) . . . . ?
C42 C40 C43 F27 37.1(9) . . . . ?
C41 C40 C43 F27 -81.4(8) . . . . ?
O3 C40 C43 F25 42.4(7) . . . . ?
C42 C40 C43 F25 -81.5(7) . . . . ?
C41 C40 C43 F25 159.9(6) . . . . ?
O4 C44 C45 F28 -43.6(8) . . . . ?
C46 C44 C45 F28 79.9(8) . . . . ?
C47 C44 C45 F28 -167.9(6) . . . . ?
O4 C44 C45 F30 -163.7(7) . . . . ?
C46 C44 C45 F30 -40.1(10) . . . . ?
C47 C44 C45 F30 72.1(9) . . . . ?
O4 C44 C45 F29 74.8(7) . . . . ?
C46 C44 C45 F29 -161.6(7) . . . . ?
C47 C44 C45 F29 -49.4(8) . . . . ?
O4 C44 C46 F31 -43.7(8) . . . . ?
C45 C44 C46 F31 -169.1(7) . . . . ?
C47 C44 C46 F31 77.8(8) . . . . ?
O4 C44 C46 F32 72.9(8) . . . . ?
C45 C44 C46 F32 -52.5(9) . . . . ?
C47 C44 C46 F32 -165.6(7) . . . . ?
O4 C44 C46 F33 -165.7(7) . . . . ?
C45 C44 C46 F33 68.9(9) . . . . ?
C47 C44 C46 F33 -44.2(9) . . . . ?
O4 C44 C47 F36 -48.3(7) . . . . ?
C45 C44 C47 F36 76.3(7) . . . . ?
C46 C44 C47 F36 -168.1(6) . . . . ?
O4 C44 C47 F34 -167.2(6) . . . . ?
C45 C44 C47 F34 -42.5(8) . . . . ?
C46 C44 C47 F34 73.0(8) . . . . ?
O4 C44 C47 F35 69.8(7) . . . . ?
C45 C44 C47 F35 -165.6(6) . . . . ?
C46 C44 C47 F35 -50.1(7) . . . . ?
O2 C36 C37A F12A -73.2(4) . . . . ?
C39A C36 C37A F12A 165.7(3) . . . . ?
C38A C36 C37A F12A 46.7(4) . . . . ?
O2 C36 C37A F10A 45.1(4) . . . . ?
C39A C36 C37A F10A -76.0(4) . . . . ?
C38A C36 C37A F10A 165.0(3) . . . . ?
O2 C36 C37A F11A 164.9(3) . . . . ?
C39A C36 C37A F11A 43.8(4) . . . . ?
C38A C36 C37A F11A -75.2(4) . . . . ?
O2 C36 C38A F13A 160.5(3) . . . . ?
C39A C36 C38A F13A -77.7(4) . . . . ?
C37A C36 C38A F13A 41.1(4) . . . . ?
O2 C36 C38A F15A 39.5(4) . . . . ?
C39A C36 C38A F15A 161.3(3) . . . . ?
C37A C36 C38A F15A -79.9(3) . . . . ?
O2 C36 C38A F14A -78.7(3) . . . . ?
C39A C36 C38A F14A 43.1(4) . . . . ?
C37A C36 C38A F14A 161.9(3) . . . . ?
O2 C36 C39A F17A -75.9(3) . . . . ?
C37A C36 C39A F17A 44.4(4) . . . . ?
C38A C36 C39A F17A 162.5(3) . . . . ?
O2 C36 C39A F18A 44.7(4) . . . . ?
C37A C36 C39A F18A 165.1(3) . . . . ?
C38A C36 C39A F18A -76.9(4) . . . . ?
O2 C36 C39A F16A 163.8(3) . . . . ?
C37A C36 C39A F16A -75.9(4) . . . . ?
C38A C36 C39A F16A 42.1(4) . . . . ?
O3 C40 C41A F20A -168.0(11) . . . . ?
C42A C40 C41A F20A -49.1(14) . . . . ?
C43A C40 C41A F20A 69.7(13) . . . . ?
O3 C40 C41A F19A 76.9(8) . . . . ?
C42A C40 C41A F19A -164.2(7) . . . . ?
C43A C40 C41A F19A -45.4(9) . . . . ?
O3 C40 C41A F21A -43.4(10) . . . . ?
C42A C40 C41A F21A 75.6(10) . . . . ?
C43A C40 C41A F21A -165.6(8) . . . . ?
O3 C40 C42A F24A -45.4(9) . . . . ?
C41A C40 C42A F24A -166.8(8) . . . . ?
C43A C40 C42A F24A 72.4(9) . . . . ?
O3 C40 C42A F22A 72.9(7) . . . . ?
C41A C40 C42A F22A -48.5(9) . . . . ?
C43A C40 C42A F22A -169.3(7) . . . . ?
O3 C40 C42A F23A -176.8(10) . . . . ?
C41A C40 C42A F23A 61.8(12) . . . . ?
C43A C40 C42A F23A -59.0(11) . . . . ?
O3 C40 C43A F25A 77.3(7) . . . . ?
C41A C40 C43A F25A -160.2(7) . . . . ?
C42A C40 C43A F25A -37.8(8) . . . . ?
O3 C40 C43A F26A -47.3(9) . . . . ?
C41A C40 C43A F26A 75.1(10) . . . . ?
C42A C40 C43A F26A -162.4(8) . . . . ?
O3 C40 C43A F27A -165.0(10) . . . . ?
C41A C40 C43A F27A -42.6(12) . . . . ?
C42A C40 C43A F27A 79.9(12) . . . . ?
O4 C44 C45A F28A -45.5(9) . . . . ?
C47A C44 C45A F28A -163.0(8) . . . . ?
C46A C44 C45A F28A 71.4(10) . . . . ?
O4 C44 C45A F30A -167.5(8) . . . . ?
C47A C44 C45A F30A 75.0(9) . . . . ?
C46A C44 C45A F30A -50.6(10) . . . . ?
O4 C44 C45A F29A 77.7(8) . . . . ?
C47A C44 C45A F29A -39.8(10) . . . . ?
C46A C44 C45A F29A -165.4(9) . . . . ?
O4 C44 C46A F31A -45.4(11) . . . . ?
C47A C44 C46A F31A 79.1(11) . . . . ?
C45A C44 C46A F31A -158.4(9) . . . . ?
O4 C44 C46A F33A -163.6(9) . . . . ?
C47A C44 C46A F33A -39.1(12) . . . . ?
C45A C44 C46A F33A 83.4(11) . . . . ?
O4 C44 C46A F32A 72.9(10) . . . . ?
C47A C44 C46A F32A -162.7(9) . . . . ?
C45A C44 C46A F32A -40.1(12) . . . . ?
O4 C44 C47A F36A -37.8(10) . . . . ?
C46A C44 C47A F36A -162.2(9) . . . . ?
C45A C44 C47A F36A 75.7(10) . . . . ?
O4 C44 C47A F34A -164.3(8) . . . . ?
C46A C44 C47A F34A 71.3(11) . . . . ?
C45A C44 C47A F34A -50.7(11) . . . . ?
O4 C44 C47A F35A 79.8(8) . . . . ?
C46A C44 C47A F35A -44.6(10) . . . . ?
C45A C44 C47A F35A -166.6(7) . . . . ?
C8 N1 C1 N3 18.9(3) . . . . ?
Sn1 N1 C1 N3 -179.63(17) . . . . ?
C8 N1 C1 C2 -161.8(2) . . . . ?
Sn1 N1 C1 C2 -0.4(3) . . . . ?
C4 N3 C1 N1 37.6(4) . . . . ?
C5 N3 C1 N1 -162.5(2) . . . . ?
C4 N3 C1 C2 -141.7(3) . . . . ?
C5 N3 C1 C2 18.2(4) . . . . ?
N1 C1 C2 C3 3.8(5) . . . . ?
N3 C1 C2 C3 -176.9(3) . . . . ?
C20 N2 C3 N4 -19.6(3) . . . . ?
Sn1 N2 C3 N4 179.91(17) . . . . ?
C20 N2 C3 C2 160.9(2) . . . . ?
Sn1 N2 C3 C2 0.4(3) . . . . ?
C6 N4 C3 N2 163.3(2) . . . . ?
C7 N4 C3 N2 -48.0(3) . . . . ?
C6 N4 C3 C2 -17.2(4) . . . . ?
C7 N4 C3 C2 131.5(3) . . . . ?
C1 C2 C3 N2 -3.8(5) . . . . ?
C1 C2 C3 N4 176.7(3) . . . . ?
C1 N1 C8 C9 65.1(3) . . . . ?
Sn1 N1 C8 C9 -99.0(2) . . . . ?
C1 N1 C8 C13 -119.4(3) . . . . ?
Sn1 N1 C8 C13 76.5(2) . . . . ?
C13 C8 C9 C10 2.3(4) . . . . ?
N1 C8 C9 C10 177.7(2) . . . . ?
C13 C8 C9 C17 -175.9(2) . . . . ?
N1 C8 C9 C17 -0.5(4) . . . . ?
C8 C9 C10 C11 -1.8(4) . . . . ?
C17 C9 C10 C11 176.4(3) . . . . ?
C9 C10 C11 C12 0.3(4) . . . . ?
C10 C11 C12 C13 0.9(4) . . . . ?
C11 C12 C13 C8 -0.4(4) . . . . ?
C11 C12 C13 C14 178.7(3) . . . . ?
C9 C8 C13 C12 -1.2(4) . . . . ?
N1 C8 C13 C12 -176.6(2) . . . . ?
C9 C8 C13 C14 179.7(2) . . . . ?
N1 C8 C13 C14 4.4(4) . . . . ?
C12 C13 C14 C15 69.9(3) . . . . ?
C8 C13 C14 C15 -111.0(3) . . . . ?
C12 C13 C14 C16 -53.3(3) . . . . ?
C8 C13 C14 C16 125.7(3) . . . . ?
C10 C9 C17 C18 62.9(3) . . . . ?
C8 C9 C17 C18 -119.0(3) . . . . ?
C10 C9 C17 C19 -60.3(3) . . . . ?
C8 C9 C17 C19 117.8(3) . . . . ?
C3 N2 C20 C25 118.5(3) . . . . ?
Sn1 N2 C20 C25 -78.0(2) . . . . ?
C3 N2 C20 C21 -68.0(3) . . . . ?
Sn1 N2 C20 C21 95.5(2) . . . . ?
C25 C20 C21 C22 -1.2(4) . . . . ?
N2 C20 C21 C22 -174.5(2) . . . . ?
C25 C20 C21 C29 177.2(2) . . . . ?
N2 C20 C21 C29 3.8(4) . . . . ?
C20 C21 C22 C23 1.6(4) . . . . ?
C29 C21 C22 C23 -176.9(3) . . . . ?
C21 C22 C23 C24 -0.7(4) . . . . ?
C22 C23 C24 C25 -0.6(4) . . . . ?
C23 C24 C25 C20 0.9(4) . . . . ?
C23 C24 C25 C26 -179.0(3) . . . . ?
C21 C20 C25 C24 -0.1(4) . . . . ?
N2 C20 C25 C24 173.3(2) . . . . ?
C21 C20 C25 C26 179.9(2) . . . . ?
N2 C20 C25 C26 -6.8(4) . . . . ?
C24 C25 C26 C28 -69.4(3) . . . . ?
C20 C25 C26 C28 110.6(3) . . . . ?
C24 C25 C26 C27 53.6(3) . . . . ?
C20 C25 C26 C27 -126.4(3) . . . . ?
C22 C21 C29 C30 -66.0(3) . . . . ?
C20 C21 C29 C30 115.6(3) . . . . ?
C22 C21 C29 C31 56.9(3) . . . . ?
C20 C21 C29 C31 -121.5(3) . . . . ?
