#------------------------------------------------------------------------------
#$Date: 2021-06-06 19:14:43 +0300 (Sun, 06 Jun 2021) $
#$Revision: 266200 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/23/2022353.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2022353
loop_
_publ_author_name
'Linden, Anthony'
'Basu Baul, Tushar S.'
_publ_section_title
;
 Structural diversity among some dialkyltin(IV) benzoate and related
 derivatives
;
_journal_coeditor_code           OV3150
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              209
_journal_page_last               220
_journal_paper_doi               10.1107/S2053229621003545
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac
'[Sn4 (C4 H9)8 (C15 H13 N2 O3)4 O2], 2C2 H6 O'
_chemical_formula_moiety         'C92 H124 N8 O14 Sn4, 2(C2 H6 O)'
_chemical_formula_sum            'C96 H136 N8 O16 Sn4'
_chemical_formula_weight         2132.88
_chemical_name_systematic
'Octabutyltetrakis{μ-(E)-4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]benzoato}di-μ₃-oxido-tetratin(IV) ethanol disolvate'
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 93.2962(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.83950(10)
_cell_length_b                   24.2855(3)
_cell_length_c                   17.3557(2)
_cell_measurement_reflns_used    171311
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     4982.00(9)
_computing_cell_refinement
;
DENZO-SMN (Otwinowski & Minor, 1997)
;
_computing_data_collection
;
COLLECT (Nonius, 2000)
;
_computing_data_reduction
;
DENZO-SMN and SCALEPACK (Otwinowski & Minor, 1997)
;
_computing_molecular_graphics
;
ORTEPII (Johnson, 1976)
;
_computing_publication_material
;
SHELXL2018 (Sheldrick, 2015), Mercury (Macrae et al.,
2020) and PLATON
(Spek, 2020)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      160(2)
_diffrn_detector                 '65 mm CCD camera on \k goniostat'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ and ω scans with κ offsets'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'Nonius FR590 sealed tube generator'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_unetI/netI     0.0269
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            94026
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.474
_diffrn_reflns_theta_min         2.048
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.056
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.829
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SORTAV; Blessing, 1995)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_description       tablet
_exptl_crystal_F_000             2192
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.911
_refine_diff_density_min         -0.932
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         11371
_refine_ls_number_restraints     144
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0331
_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)+(0.0278P)²+6.8029P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                9553
_reflns_number_total             11376
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ov3150sup1.cif
_cod_data_source_block           IV
_cod_depositor_comments
'Adding full bibliography for 2022350--2022354.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2022353
_cod_database_fobs_code          2022353
_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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.05001(2) 0.37049(2) 0.45148(2) 0.03285(6) Uani d 1 . .
Sn Sn2 0.08779(2) 0.52372(2) 0.43610(2) 0.02578(5) Uani d 1 . .
O O1 0.19192(17) 0.47981(8) 0.34877(12) 0.0416(5) Uani d 1 . .
O O2 0.1733(3) 0.39106(10) 0.36369(17) 0.0832(10) Uani d 1 . .
O O3 0.86222(19) 0.39724(10) -0.16369(12) 0.0469(5) Uani d 1 . .
H H3 0.893(3) 0.3655(15) -0.159(2) 0.055(11) Uiso d 1 . .
O O4 -0.07448(14) 0.36432(7) 0.53976(10) 0.0289(4) Uani d 1 . .
O O5 -0.06043(16) 0.27469(8) 0.51891(12) 0.0375(4) Uani d 1 . .
O O6 -0.96252(16) 0.32178(10) 0.86854(13) 0.0446(5) Uani d 1 . .
H H6 -0.966(3) 0.3262(17) 0.921(2) 0.076(13) Uiso d 1 . .
O O7 0.02343(14) 0.45122(7) 0.47392(10) 0.0263(4) Uani d 1 . .
N N1 0.49994(19) 0.38861(10) 0.08500(13) 0.0346(5) Uani d 1 . .
N N2 0.5496(2) 0.42950(10) 0.05843(13) 0.0366(5) Uani d 1 . .
N N3 -0.52091(18) 0.28868(10) 0.69716(13) 0.0356(5) Uani d 1 . .
N N4 -0.53547(19) 0.31997(11) 0.75336(13) 0.0377(5) Uani d 1 . .
C C1 0.2124(2) 0.43154(13) 0.33106(16) 0.0367(6) Uani d 1 . .
C C2 0.2894(2) 0.42124(12) 0.26719(15) 0.0342(6) Uani d 1 . .
C C3 0.3003(3) 0.36865(13) 0.23750(18) 0.0438(7) Uani d 1 . .
H H31 0.260555 0.338821 0.258794 0.053 Uiso calc 1 . .
C C4 0.3693(3) 0.35950(13) 0.17654(17) 0.0413(7) Uani d 1 . .
H H4 0.375730 0.323563 0.155619 0.050 Uiso calc 1 . .
C C5 0.4283(2) 0.40272(12) 0.14652(15) 0.0330(6) Uani d 1 . .
C C6 0.4202(2) 0.45534(13) 0.17723(16) 0.0384(6) Uani d 1 . .
H H61 0.462926 0.484808 0.157705 0.046 Uiso calc 1 . .
C C7 0.3490(2) 0.46434(12) 0.23667(16) 0.0375(6) Uani d 1 . .
H H7 0.341064 0.500458 0.256670 0.045 Uiso calc 1 . .
C C8 0.6245(2) 0.41710(12) -0.00080(15) 0.0335(6) Uani d 1 . .
C C9 0.6373(2) 0.36544(12) -0.03379(14) 0.0323(6) Uani d 1 . .
H H9 0.591369 0.335693 -0.018730 0.039 Uiso calc 1 . .
C C10 0.7166(2) 0.35691(12) -0.08854(15) 0.0338(6) Uani d 1 . .
C C11 0.7829(2) 0.40186(12) -0.10944(15) 0.0347(6) Uani d 1 . .
C C12 0.7715(2) 0.45410(12) -0.07742(16) 0.0372(6) Uani d 1 . .
C C13 0.6898(2) 0.46103(12) -0.02381(16) 0.0376(6) Uani d 1 . .
H H13 0.678300 0.496499 -0.002518 0.045 Uiso calc 1 . .
C C14 -0.1081(2) 0.31416(11) 0.54896(14) 0.0290(5) Uani d 1 . .
C C15 -0.2107(2) 0.30627(11) 0.59369(14) 0.0282(5) Uani d 1 . .
C C16 -0.2756(2) 0.25913(11) 0.58262(15) 0.0331(6) Uani d 1 . .
H H16 -0.250333 0.230332 0.550798 0.040 Uiso calc 1 . .
C C17 -0.3774(2) 0.25384(12) 0.61792(16) 0.0353(6) Uani d 1 . .
H H17 -0.423231 0.222120 0.608842 0.042 Uiso calc 1 . .
C C18 -0.4119(2) 0.29533(11) 0.66666(15) 0.0317(6) Uani d 1 . .
C C19 -0.3446(2) 0.34171(11) 0.68061(16) 0.0339(6) Uani d 1 . .
H H19 -0.366960 0.369375 0.715311 0.041 Uiso calc 1 . .
C C20 -0.2452(2) 0.34710(12) 0.64359(16) 0.0335(6) Uani d 1 . .
H H20 -0.199796 0.378994 0.652214 0.040 Uiso calc 1 . .
C C21 -0.6464(2) 0.31876(12) 0.78052(16) 0.0353(6) Uani d 1 . .
C C22 -0.7403(2) 0.29662(12) 0.73911(15) 0.0342(6) Uani d 1 . .
H H22 -0.731344 0.279902 0.690359 0.041 Uiso calc 1 . .
C C23 -0.8464(2) 0.29884(12) 0.76852(15) 0.0341(6) Uani d 1 . .
C C24 -0.8561(2) 0.32229(12) 0.84176(16) 0.0340(6) Uani d 1 . .
C C25 -0.7646(2) 0.34633(12) 0.88293(16) 0.0367(6) Uani d 1 . .
C C26 -0.6596(2) 0.34449(13) 0.85090(16) 0.0384(6) Uani d 1 . .
H H26 -0.595981 0.361054 0.877554 0.046 Uiso calc 1 . .
C C27 0.7332(3) 0.30115(12) -0.12382(17) 0.0417(7) Uani d 1 . .
H H271 0.805858 0.285805 -0.104178 0.063 Uiso calc 1 . .
H H272 0.732898 0.304692 -0.180080 0.063 Uiso calc 1 . .
H H273 0.671797 0.276597 -0.110190 0.063 Uiso calc 1 . .
C C28 0.8491(3) 0.50027(14) -0.0985(2) 0.0493(8) Uani d 1 . .
H H281 0.925568 0.493058 -0.076133 0.074 Uiso calc 1 . .
H H282 0.821345 0.535095 -0.078167 0.074 Uiso calc 1 . .
H H283 0.850778 0.502670 -0.154743 0.074 Uiso calc 1 . .
C C29 -0.9499(2) 0.27881(15) 0.72325(18) 0.0467(8) Uani d 1 . .
H H291 -1.002889 0.309436 0.714349 0.070 Uiso calc 1 . .
H H292 -0.986017 0.249706 0.752224 0.070 Uiso calc 1 . .
H H293 -0.928331 0.264165 0.673558 0.070 Uiso calc 1 . .
C C30 -0.7776(3) 0.37509(15) 0.95911(19) 0.0510(8) Uani d 1 . .
H H301 -0.837317 0.402949 0.952971 0.076 Uiso calc 1 . .
H H302 -0.706064 0.392894 0.975839 0.076 Uiso calc 1 . .
H H303 -0.797867 0.348070 0.997917 0.076 Uiso calc 1 . .
C C31 -0.0504(3) 0.33948(15) 0.35816(19) 0.0621(10) Uani d 1 . .
H H311 -0.019966 0.354021 0.310265 0.074 Uiso calc 0.846(6) A 1
H H312 -0.040346 0.299023 0.357445 0.074 Uiso calc 0.846(6) A 1
H H313 0.003673 0.319310 0.327125 0.074 Uiso calc 0.154(6) A 2
H H314 -0.097015 0.310760 0.381464 0.074 Uiso calc 0.154(6) A 2
C C32A -0.1746(3) 0.35092(16) 0.35450(19) 0.0482(10) Uani d 0.846(6) A 1
H H321 -0.186547 0.390964 0.360917 0.058 Uiso calc 0.846(6) A 1
H H322 -0.208716 0.331909 0.397941 0.058 Uiso calc 0.846(6) A 1
C C32B -0.1307(9) 0.3665(5) 0.2985(9) 0.048(3) Uani d 0.154(6) A 2
H H323 -0.154143 0.402744 0.318202 0.057 Uiso calc 0.154(6) A 2
H H324 -0.090353 0.372993 0.250881 0.057 Uiso calc 0.154(6) A 2
C C33 -0.2352(3) 0.33224(16) 0.2787(2) 0.0650(10) Uani d 1 . .
H H331 -0.207086 0.353506 0.235028 0.078 Uiso calc 0.846(6) A 1
H H332 -0.220096 0.292717 0.269771 0.078 Uiso calc 0.846(6) A 1
H H333 -0.227730 0.322244 0.223896 0.078 Uiso calc 0.154(6) A 2
H H334 -0.220917 0.297728 0.308001 0.078 Uiso calc 0.154(6) A 2
C C34 -0.3584(4) 0.34142(18) 0.2837(3) 0.0750(12) Uani d 1 . .
H H341 -0.384999 0.321324 0.328195 0.112 Uiso calc 1 . .
H H342 -0.398658 0.328149 0.236420 0.112 Uiso calc 1 . .
H H343 -0.372987 0.380847 0.289956 0.112 Uiso calc 1 . .
C C35A 0.1923(5) 0.3365(3) 0.5137(3) 0.0520(11) Uani d 0.683(5) B 1
H H351 0.256182 0.362739 0.512478 0.062 Uiso calc 0.683(5) B 1
H H352 0.174183 0.331603 0.568242 0.062 Uiso calc 0.683(5) B 1
C C36A 0.2283(3) 0.28175(18) 0.4817(3) 0.0561(11) Uani d 0.683(5) B 1
H H361 0.215317 0.282017 0.424886 0.067 Uiso calc 0.683(5) B 1
H H362 0.181177 0.252161 0.502419 0.067 Uiso calc 0.683(5) B 1
C C37A 0.3522(3) 0.2694(2) 0.5023(3) 0.0584(11) Uani d 0.683(5) B 1
H H371 0.368956 0.277667 0.557674 0.070 Uiso calc 0.683(5) B 1
H H372 0.366059 0.229671 0.494476 0.070 Uiso calc 0.683(5) B 1
C C38A 0.4320(5) 0.3023(3) 0.4547(4) 0.0740(14) Uani d 0.683(5) B 1
H H381 0.414469 0.295236 0.399770 0.111 Uiso calc 0.683(5) B 1
H H382 0.510245 0.291322 0.468471 0.111 Uiso calc 0.683(5) B 1
H H383 0.422915 0.341678 0.465264 0.111 Uiso calc 0.683(5) B 1
C C35B 0.1813(8) 0.3411(7) 0.5291(5) 0.0499(18) Uani d 0.317(5) B 2
H H353 0.180419 0.365466 0.574715 0.060 Uiso calc 0.317(5) B 2
H H354 0.155412 0.304566 0.546319 0.060 Uiso calc 0.317(5) B 2
C C36B 0.3053(7) 0.3336(4) 0.5138(6) 0.0556(13) Uani d 0.317(5) B 2
H H363 0.335371 0.368597 0.493995 0.067 Uiso calc 0.317(5) B 2
H H364 0.348202 0.324812 0.562901 0.067 Uiso calc 0.317(5) B 2
C C37B 0.3229(7) 0.2882(5) 0.4560(7) 0.0624(14) Uani d 0.317(5) B 2
H H373 0.268332 0.293180 0.411172 0.075 Uiso calc 0.317(5) B 2
H H374 0.306460 0.252346 0.480111 0.075 Uiso calc 0.317(5) B 2
C C38B 0.4416(9) 0.2867(6) 0.4277(9) 0.069(2) Uani d 0.317(5) B 2
H H384 0.455717 0.320455 0.398989 0.104 Uiso calc 0.317(5) B 2
H H385 0.449236 0.254724 0.393922 0.104 Uiso calc 0.317(5) B 2
H H386 0.496459 0.283802 0.472014 0.104 Uiso calc 0.317(5) B 2
C C39 -0.0139(2) 0.55226(11) 0.33912(15) 0.0341(6) Uani d 1 . .
H H391 -0.063498 0.582067 0.356541 0.041 Uiso calc 1 . .
H H392 0.036437 0.568497 0.301596 0.041 Uiso calc 1 . .
C C40 -0.0874(3) 0.50922(12) 0.29784(17) 0.0408(7) Uani d 1 . .
H H401 -0.136548 0.491785 0.335113 0.049 Uiso calc 1 . .
H H402 -0.038530 0.480228 0.277378 0.049 Uiso calc 1 . .
C C41 -0.1604(3) 0.53376(16) 0.2320(2) 0.0556(9) Uani d 1 . .
H H411 -0.204804 0.564561 0.252264 0.067 Uiso calc 1 . .
H H412 -0.110612 0.549153 0.193499 0.067 Uiso calc 1 . .
C C42 -0.2410(4) 0.4931(2) 0.1921(3) 0.0872(15) Uani d 1 . .
H H421 -0.197718 0.464150 0.167801 0.131 Uiso calc 1 . .
H H422 -0.288684 0.512244 0.152600 0.131 Uiso calc 1 . .
H H423 -0.288924 0.476569 0.230118 0.131 Uiso calc 1 . .
C C43 0.2440(2) 0.53863(12) 0.49912(17) 0.0366(6) Uani d 1 . .
H H431 0.296430 0.556690 0.464588 0.044 Uiso calc 1 . .
H H432 0.230664 0.564508 0.541729 0.044 Uiso calc 1 . .
C C44 0.3002(2) 0.48697(13) 0.53277(18) 0.0417(7) Uani d 1 . .
H H441 0.244056 0.465861 0.560869 0.050 Uiso calc 1 . .
H H442 0.324509 0.463603 0.490002 0.050 Uiso calc 1 . .
C C45 0.4017(3) 0.49905(16) 0.5872(2) 0.0636(10) Uani d 1 . .
H H451 0.377820 0.522706 0.629762 0.076 Uiso calc 1 . .
H H452 0.458541 0.519662 0.559023 0.076 Uiso calc 1 . .
C C46 0.4560(4) 0.44683(19) 0.6211(3) 0.0981(18) Uani d 1 . .
H H461 0.400622 0.426645 0.649966 0.147 Uiso calc 1 . .
H H462 0.521129 0.456675 0.655762 0.147 Uiso calc 1 . .
H H463 0.481311 0.423588 0.579210 0.147 Uiso calc 1 . .
O O8 -0.0246(2) 0.16675(10) 0.50888(14) 0.0595(7) Uani d 1 . .
H H8 -0.032(4) 0.2013(19) 0.528(3) 0.084(14) Uiso d 1 . .
C C47 -0.0545(3) 0.12520(15) 0.5618(2) 0.0549(9) Uani d 1 . .
H H471 -0.040073 0.088507 0.539589 0.066 Uiso calc 1 . .
H H472 -0.136335 0.127863 0.570249 0.066 Uiso calc 1 . .
C C48 0.0098(4) 0.13068(18) 0.6355(2) 0.0752(12) Uani d 1 . .
H H481 -0.010756 0.165217 0.660340 0.113 Uiso calc 1 . .
H H482 0.090894 0.130889 0.626875 0.113 Uiso calc 1 . .
H H483 -0.007377 0.099619 0.668940 0.113 Uiso calc 1 . .
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'
N N 0.0061 0.0033 '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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 Sn1 O4 . . 170.96(8) y
O2 Sn1 O5 . . 140.62(7) y
O2 Sn1 O7 . . 91.70(8) y
O2 Sn1 C31 . . 85.24(14) y
O2 Sn1 C35A . . 84.4(2) y
O2 Sn1 C35B . . 91.4(3) y
O4 Sn1 O5 . . 48.40(6) y
O4 Sn1 O7 . . 79.26(6) y
O4 Sn1 C31 . . 98.12(12) y
O4 Sn1 C35A . . 99.5(2) y
O4 Sn1 C35B . . 91.8(3) y
O5 Sn1 O7 . . 127.63(6) y
O5 Sn1 C31 . . 77.16(12) y
O5 Sn1 C35A . . 81.2(2) y
O5 Sn1 C35B . . 78.9(5) y
O7 Sn1 C31 . . 114.14(11) y
O7 Sn1 C35A . . 114.02(18) y
O7 Sn1 C35B . . 108.7(4) y
C31 Sn1 C35A . . 130.91(17) y
C31 Sn1 C35B . . 137.1(4) y
O1 Sn2 O4 . 3_566 127.00(6) y
O1 Sn2 O7 . . 92.10(7) y
O1 Sn2 O7 . 3_566 168.16(7) y
O1 Sn2 C39 . . 85.96(10) y
O1 Sn2 C43 . . 86.21(10) y
O4 Sn2 O7 3_566 . 140.89(6) y
O4 Sn2 O7 3_566 3_566 64.84(5) y
O4 Sn2 C39 3_566 . 76.37(8) y
O4 Sn2 C43 3_566 . 79.00(9) y
O7 Sn2 O7 . 3_566 76.07(7) y
O7 Sn2 C39 . . 109.29(9) y
O7 Sn2 C39 3_566 . 97.91(9) y
O7 Sn2 C43 . . 108.14(9) y
O7 Sn2 C43 3_566 . 97.29(9) y
C39 Sn2 C43 . . 141.97(11) y
C1 O1 Sn2 . . 136.90(17) ?
C1 O2 Sn1 . . 140.2(2) ?
C11 O3 H3 . . 108(2) ?
C14 O4 Sn1 . . 112.01(15) ?
C14 O4 Sn2 . 3_566 152.71(15) ?
Sn1 O4 Sn2 . 3_566 94.90(6) y
C14 O5 Sn1 . . 77.29(14) ?
C24 O6 H6 . . 116(2) ?
Sn1 O7 Sn2 . . 135.02(8) y
Sn1 O7 Sn2 . 3_566 120.87(8) y
Sn2 O7 Sn2 . 3_566 103.93(7) y
N2 N1 C5 . . 113.1(2) ?
N1 N2 C8 . . 114.9(2) ?
N4 N3 C18 . . 112.7(2) ?
N3 N4 C21 . . 114.6(2) ?
O2 C1 O1 . . 123.7(2) ?
O2 C1 C2 . . 117.8(3) ?
O1 C1 C2 . . 118.6(2) ?
C7 C2 C3 . . 119.6(2) ?
C7 C2 C1 . . 120.2(3) ?
C3 C2 C1 . . 120.2(3) ?
C2 C3 C4 . . 120.1(3) ?
C2 C3 H31 . . 120.0 ?
C4 C3 H31 . . 120.0 ?
C5 C4 C3 . . 119.9(3) ?
C5 C4 H4 . . 120.1 ?
C3 C4 H4 . . 120.1 ?
C4 C5 C6 . . 120.4(2) ?
C4 C5 N1 . . 115.5(2) ?
C6 C5 N1 . . 124.0(2) ?
C7 C6 C5 . . 119.3(3) ?
C7 C6 H61 . . 120.4 ?
C5 C6 H61 . . 120.4 ?
C2 C7 C6 . . 120.7(3) ?
C2 C7 H7 . . 119.7 ?
C6 C7 H7 . . 119.7 ?
C13 C8 C9 . . 119.9(2) ?
C13 C8 N2 . . 115.1(2) ?
C9 C8 N2 . . 125.0(2) ?
C10 C9 C8 . . 120.6(3) ?
C10 C9 H9 . . 119.7 ?
C8 C9 H9 . . 119.7 ?
C9 C10 C11 . . 118.1(3) ?
C9 C10 C27 . . 121.5(3) ?
C11 C10 C27 . . 120.5(2) ?
O3 C11 C12 . . 115.7(3) ?
O3 C11 C10 . . 121.9(3) ?
C12 C11 C10 . . 122.4(2) ?
C13 C12 C11 . . 117.6(3) ?
C13 C12 C28 . . 121.9(3) ?
C11 C12 C28 . . 120.4(3) ?
C8 C13 C12 . . 121.3(3) ?
C8 C13 H13 . . 119.4 ?
C12 C13 H13 . . 119.4 ?
O5 C14 O4 . . 121.6(2) ?
O5 C14 C15 . . 121.5(2) ?
O4 C14 C15 . . 116.8(2) ?
C16 C15 C20 . . 119.6(2) ?
C16 C15 C14 . . 119.7(2) ?
C20 C15 C14 . . 120.6(2) ?
C15 C16 C17 . . 120.2(3) ?
C15 C16 H16 . . 119.9 ?
C17 C16 H16 . . 119.9 ?
C16 C17 C18 . . 119.6(3) ?
C16 C17 H17 . . 120.2 ?
C18 C17 H17 . . 120.2 ?
C17 C18 C19 . . 120.4(2) ?
C17 C18 N3 . . 116.4(2) ?
C19 C18 N3 . . 123.1(2) ?
C20 C19 C18 . . 119.4(3) ?
C20 C19 H19 . . 120.3 ?
C18 C19 H19 . . 120.3 ?
C19 C20 C15 . . 120.7(3) ?
C19 C20 H20 . . 119.6 ?
C15 C20 H20 . . 119.6 ?
C26 C21 C22 . . 120.0(2) ?
C26 C21 N4 . . 115.8(2) ?
C22 C21 N4 . . 124.1(2) ?
C23 C22 C21 . . 120.5(3) ?
C23 C22 H22 . . 119.7 ?
C21 C22 H22 . . 119.7 ?
C22 C23 C24 . . 118.2(2) ?
C22 C23 C29 . . 121.7(3) ?
C24 C23 C29 . . 120.0(2) ?
O6 C24 C25 . . 122.3(2) ?
O6 C24 C23 . . 115.4(2) ?
C25 C24 C23 . . 122.2(2) ?
C26 C25 C24 . . 117.9(3) ?
C26 C25 C30 . . 120.2(3) ?
C24 C25 C30 . . 121.8(2) ?
C21 C26 C25 . . 120.9(3) ?
C21 C26 H26 . . 119.5 ?
C25 C26 H26 . . 119.5 ?
C10 C27 H271 . . 109.5 ?
C10 C27 H272 . . 109.5 ?
H271 C27 H272 . . 109.5 ?
C10 C27 H273 . . 109.5 ?
H271 C27 H273 . . 109.5 ?
H272 C27 H273 . . 109.5 ?
C12 C28 H281 . . 109.5 ?
C12 C28 H282 . . 109.5 ?
H281 C28 H282 . . 109.5 ?
C12 C28 H283 . . 109.5 ?
H281 C28 H283 . . 109.5 ?
H282 C28 H283 . . 109.5 ?
C23 C29 H291 . . 109.5 ?
C23 C29 H292 . . 109.5 ?
H291 C29 H292 . . 109.5 ?
C23 C29 H293 . . 109.5 ?
H291 C29 H293 . . 109.5 ?
H292 C29 H293 . . 109.5 ?
C25 C30 H301 . . 109.5 ?
C25 C30 H302 . . 109.5 ?
H301 C30 H302 . . 109.5 ?
C25 C30 H303 . . 109.5 ?
H301 C30 H303 . . 109.5 ?
H302 C30 H303 . . 109.5 ?
C32A C31 Sn1 . . 118.7(2) ?
C32B C31 Sn1 . . 132.8(6) ?
C32A C31 H311 . . 107.6 ?
Sn1 C31 H311 . . 107.6 ?
C32A C31 H312 . . 107.6 ?
Sn1 C31 H312 . . 107.6 ?
H311 C31 H312 . . 107.1 ?
C32B C31 H313 . . 104.0 ?
Sn1 C31 H313 . . 104.0 ?
C32B C31 H314 . . 104.0 ?
Sn1 C31 H314 . . 104.0 ?
H313 C31 H314 . . 105.5 ?
C31 C32A C33 . . 113.1(3) ?
C31 C32A H321 . . 109.0 ?
C33 C32A H321 . . 109.0 ?
C31 C32A H322 . . 109.0 ?
C33 C32A H322 . . 109.0 ?
H321 C32A H322 . . 107.8 ?
C33 C32B C31 . . 112.9(5) ?
C33 C32B H323 . . 109.0 ?
C31 C32B H323 . . 109.0 ?
C33 C32B H324 . . 109.0 ?
C31 C32B H324 . . 109.0 ?
H323 C32B H324 . . 107.8 ?
C34 C33 C32B . . 134.2(8) ?
C34 C33 C32A . . 108.6(3) ?
C34 C33 H331 . . 110.0 ?
C32A C33 H331 . . 110.0 ?
C34 C33 H332 . . 110.0 ?
C32A C33 H332 . . 110.0 ?
H331 C33 H332 . . 108.4 ?
C34 C33 H333 . . 103.6 ?
C32B C33 H333 . . 103.6 ?
C34 C33 H334 . . 103.6 ?
C32B C33 H334 . . 103.6 ?
H333 C33 H334 . . 105.3 ?
C33 C34 H341 . . 109.5 ?
C33 C34 H342 . . 109.5 ?
H341 C34 H342 . . 109.5 ?
C33 C34 H343 . . 109.5 ?
H341 C34 H343 . . 109.5 ?
H342 C34 H343 . . 109.5 ?
C36A C35A Sn1 . . 112.9(3) ?
C36A C35A H351 . . 109.0 ?
Sn1 C35A H351 . . 109.0 ?
C36A C35A H352 . . 109.0 ?
Sn1 C35A H352 . . 109.0 ?
H351 C35A H352 . . 107.8 ?
C35A C36A C37A . . 112.1(4) ?
C35A C36A H361 . . 109.2 ?
C37A C36A H361 . . 109.2 ?
C35A C36A H362 . . 109.2 ?
C37A C36A H362 . . 109.2 ?
H361 C36A H362 . . 107.9 ?
C38A C37A C36A . . 113.0(5) ?
C38A C37A H371 . . 109.0 ?
C36A C37A H371 . . 109.0 ?
C38A C37A H372 . . 109.0 ?
C36A C37A H372 . . 109.0 ?
H371 C37A H372 . . 107.8 ?
C37A C38A H381 . . 109.5 ?
C37A C38A H382 . . 109.5 ?
H381 C38A H382 . . 109.5 ?
C37A C38A H383 . . 109.5 ?
H381 C38A H383 . . 109.5 ?
H382 C38A H383 . . 109.5 ?
C36B C35B Sn1 . . 127.6(7) ?
C36B C35B H353 . . 105.4 ?
Sn1 C35B H353 . . 105.4 ?
C36B C35B H354 . . 105.4 ?
Sn1 C35B H354 . . 105.4 ?
H353 C35B H354 . . 106.0 ?
C37B C36B C35B . . 111.9(5) ?
C37B C36B H363 . . 109.2 ?
C35B C36B H363 . . 109.2 ?
C37B C36B H364 . . 109.2 ?
C35B C36B H364 . . 109.2 ?
H363 C36B H364 . . 107.9 ?
C36B C37B C38B . . 113.5(6) ?
C36B C37B H373 . . 108.9 ?
C38B C37B H373 . . 108.9 ?
C36B C37B H374 . . 108.9 ?
C38B C37B H374 . . 108.9 ?
H373 C37B H374 . . 107.7 ?
C37B C38B H384 . . 109.5 ?
C37B C38B H385 . . 109.5 ?
H384 C38B H385 . . 109.5 ?
C37B C38B H386 . . 109.5 ?
H384 C38B H386 . . 109.5 ?
H385 C38B H386 . . 109.5 ?
C40 C39 Sn2 . . 115.66(19) ?
C40 C39 H391 . . 108.4 ?
Sn2 C39 H391 . . 108.4 ?
C40 C39 H392 . . 108.4 ?
Sn2 C39 H392 . . 108.4 ?
H391 C39 H392 . . 107.4 ?
C39 C40 C41 . . 111.9(3) ?
C39 C40 H401 . . 109.2 ?
C41 C40 H401 . . 109.2 ?
C39 C40 H402 . . 109.2 ?
C41 C40 H402 . . 109.2 ?
H401 C40 H402 . . 107.9 ?
C42 C41 C40 . . 114.0(3) ?
C42 C41 H411 . . 108.8 ?
C40 C41 H411 . . 108.8 ?
C42 C41 H412 . . 108.8 ?
C40 C41 H412 . . 108.8 ?
H411 C41 H412 . . 107.7 ?
C41 C42 H421 . . 109.5 ?
C41 C42 H422 . . 109.5 ?
H421 C42 H422 . . 109.5 ?
C41 C42 H423 . . 109.5 ?
H421 C42 H423 . . 109.5 ?
H422 C42 H423 . . 109.5 ?
C44 C43 Sn2 . . 113.95(19) ?
C44 C43 H431 . . 108.8 ?
Sn2 C43 H431 . . 108.8 ?
C44 C43 H432 . . 108.8 ?
Sn2 C43 H432 . . 108.8 ?
H431 C43 H432 . . 107.7 ?
C45 C44 C43 . . 113.2(3) ?
C45 C44 H441 . . 108.9 ?
C43 C44 H441 . . 108.9 ?
C45 C44 H442 . . 108.9 ?
C43 C44 H442 . . 108.9 ?
H441 C44 H442 . . 107.7 ?
C44 C45 C46 . . 112.4(3) ?
C44 C45 H451 . . 109.1 ?
C46 C45 H451 . . 109.1 ?
C44 C45 H452 . . 109.1 ?
C46 C45 H452 . . 109.1 ?
H451 C45 H452 . . 107.8 ?
C45 C46 H461 . . 109.5 ?
C45 C46 H462 . . 109.5 ?
H461 C46 H462 . . 109.5 ?
C45 C46 H463 . . 109.5 ?
H461 C46 H463 . . 109.5 ?
H462 C46 H463 . . 109.5 ?
C47 O8 H8 . . 113(3) ?
O8 C47 C48 . . 111.4(3) ?
O8 C47 H471 . . 109.3 ?
C48 C47 H471 . . 109.3 ?
O8 C47 H472 . . 109.3 ?
C48 C47 H472 . . 109.3 ?
H471 C47 H472 . . 108.0 ?
C47 C48 H481 . . 109.5 ?
C47 C48 H482 . . 109.5 ?
H481 C48 H482 . . 109.5 ?
C47 C48 H483 . . 109.5 ?
H481 C48 H483 . . 109.5 ?
H482 C48 H483 . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 O2 . 2.227(2) y
Sn1 O4 . 2.1914(16) y
Sn1 O5 . 2.9442(18) y
Sn1 O7 . 2.0270(16) y
Sn1 C31 . 2.094(3) y
Sn1 C35A . 2.115(4) y
Sn1 C35B . 2.121(5) y
Sn2 O1 . 2.2736(18) y
Sn2 O4 3_566 2.7571(18) y
Sn2 O7 . 2.0418(16) y
Sn2 O7 3_566 2.1864(16) y
Sn2 C39 . 2.128(3) y
Sn2 C43 . 2.125(3) y
O1 C1 . 1.239(3) ?
O2 C1 . 1.237(4) ?
O3 C11 . 1.372(3) ?
O3 H3 . 0.85(4) ?
O4 C14 . 1.294(3) ?
O5 C14 . 1.243(3) ?
O6 C24 . 1.368(3) ?
O6 H6 . 0.93(4) ?
N1 N2 . 1.255(3) y
N1 C5 . 1.442(3) ?
N2 C8 . 1.428(3) ?
N3 N4 . 1.256(3) y
N3 C18 . 1.432(3) ?
N4 C21 . 1.421(3) ?
C1 C2 . 1.497(3) ?
C2 C7 . 1.385(4) ?
C2 C3 . 1.386(4) ?
C3 C4 . 1.391(4) ?
C3 H31 . 0.9500 ?
C4 C5 . 1.380(4) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.390(4) ?
C6 C7 . 1.386(4) ?
C6 H61 . 0.9500 ?
C7 H7 . 0.9500 ?
C8 C13 . 1.389(4) ?
C8 C9 . 1.391(4) ?
C9 C10 . 1.389(4) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.404(4) ?
C10 C27 . 1.504(4) ?
C11 C12 . 1.395(4) ?
C12 C13 . 1.391(4) ?
C12 C28 . 1.508(4) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.491(3) ?
C15 C16 . 1.386(4) ?
C15 C20 . 1.393(4) ?
C16 C17 . 1.390(4) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.392(4) ?
C17 H17 . 0.9500 ?
C18 C19 . 1.393(4) ?
C19 C20 . 1.379(4) ?
C19 H19 . 0.9500 ?
C20 H20 . 0.9500 ?
C21 C26 . 1.389(4) ?
C21 C22 . 1.397(4) ?
C22 C23 . 1.383(4) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.404(4) ?
C23 C29 . 1.498(4) ?
C24 C25 . 1.392(4) ?
C25 C26 . 1.392(4) ?
C25 C30 . 1.511(4) ?
C26 H26 . 0.9500 ?
C27 H271 . 0.9800 ?
C27 H272 . 0.9800 ?
C27 H273 . 0.9800 ?
C28 H281 . 0.9800 ?
C28 H282 . 0.9800 ?
C28 H283 . 0.9800 ?
C29 H291 . 0.9800 ?
C29 H292 . 0.9800 ?
C29 H293 . 0.9800 ?
C30 H301 . 0.9800 ?
C30 H302 . 0.9800 ?
C30 H303 . 0.9800 ?
C31 C32A . 1.494(4) ?
C31 C32B . 1.515(5) ?
C31 H311 . 0.9900 ?
C31 H312 . 0.9900 ?
C31 H313 . 0.9900 ?
C31 H314 . 0.9900 ?
C32A C33 . 1.531(3) ?
C32A H321 . 0.9900 ?
C32A H322 . 0.9900 ?
C32B C33 . 1.514(5) ?
C32B H323 . 0.9900 ?
C32B H324 . 0.9900 ?
C33 C34 . 1.484(6) ?
C33 H331 . 0.9900 ?
C33 H332 . 0.9900 ?
C33 H333 . 0.9900 ?
C33 H334 . 0.9900 ?
C34 H341 . 0.9800 ?
C34 H342 . 0.9800 ?
C34 H343 . 0.9800 ?
C35A C36A . 1.512(4) ?
C35A H351 . 0.9900 ?
C35A H352 . 0.9900 ?
C36A C37A . 1.519(4) ?
C36A H361 . 0.9900 ?
C36A H362 . 0.9900 ?
C37A C38A . 1.518(4) ?
C37A H371 . 0.9900 ?
C37A H372 . 0.9900 ?
C38A H381 . 0.9800 ?
C38A H382 . 0.9800 ?
C38A H383 . 0.9800 ?
C35B C36B . 1.518(5) ?
C35B H353 . 0.9900 ?
C35B H354 . 0.9900 ?
C36B C37B . 1.513(4) ?
C36B H363 . 0.9900 ?
C36B H364 . 0.9900 ?
C37B C38B . 1.515(4) ?
C37B H373 . 0.9900 ?
C37B H374 . 0.9900 ?
C38B H384 . 0.9800 ?
C38B H385 . 0.9800 ?
C38B H386 . 0.9800 ?
C39 C40 . 1.513(4) ?
C39 H391 . 0.9900 ?
C39 H392 . 0.9900 ?
C40 C41 . 1.514(4) ?
C40 H401 . 0.9900 ?
C40 H402 . 0.9900 ?
C41 C42 . 1.513(5) ?
C41 H411 . 0.9900 ?
C41 H412 . 0.9900 ?
C42 H421 . 0.9800 ?
C42 H422 . 0.9800 ?
C42 H423 . 0.9800 ?
C43 C44 . 1.521(4) ?
C43 H431 . 0.9900 ?
C43 H432 . 0.9900 ?
C44 C45 . 1.514(4) ?
C44 H441 . 0.9900 ?
C44 H442 . 0.9900 ?
C45 C46 . 1.524(5) ?
C45 H451 . 0.9900 ?
C45 H452 . 0.9900 ?
C46 H461 . 0.9800 ?
C46 H462 . 0.9800 ?
C46 H463 . 0.9800 ?
O8 C47 . 1.423(4) ?
O8 H8 . 0.91(5) ?
C47 C48 . 1.457(5) ?
C47 H471 . 0.9900 ?
C47 H472 . 0.9900 ?
C48 H481 . 0.9800 ?
C48 H482 . 0.9800 ?
C48 H483 . 0.9800 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O3 H3 O6 1_754 0.85(4) 2.05(4) 2.801(3) 146(3) yes
O6 H6 O8 4_466 0.93(4) 1.71(4) 2.599(3) 159(4) yes
O8 H8 O5 . 0.91(5) 1.82(5) 2.663(3) 154(4) yes
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C5 N1 N2 C8 . . . . 177.9(2) ?
C18 N3 N4 C21 . . . . 174.0(2) ?
Sn1 O2 C1 O1 . . . . 6.9(7) ?
Sn1 O2 C1 C2 . . . . -173.7(3) ?
Sn2 O1 C1 O2 . . . . -0.4(5) ?
Sn2 O1 C1 C2 . . . . -179.79(19) ?
O2 C1 C2 C7 . . . . -170.1(3) ?
O1 C1 C2 C7 . . . . 9.3(4) ?
O2 C1 C2 C3 . . . . 10.8(5) ?
O1 C1 C2 C3 . . . . -169.8(3) ?
C7 C2 C3 C4 . . . . -1.0(5) ?
C1 C2 C3 C4 . . . . 178.0(3) ?
C2 C3 C4 C5 . . . . 1.1(5) ?
C3 C4 C5 C6 . . . . 0.6(5) ?
C3 C4 C5 N1 . . . . 178.3(3) ?
N2 N1 C5 C4 . . . . 178.4(3) ?
N2 N1 C5 C6 . . . . -4.0(4) ?
C4 C5 C6 C7 . . . . -2.2(4) ?
N1 C5 C6 C7 . . . . -179.7(3) ?
C3 C2 C7 C6 . . . . -0.6(4) ?
C1 C2 C7 C6 . . . . -179.7(3) ?
C5 C6 C7 C2 . . . . 2.2(4) ?
N1 N2 C8 C13 . . . . -172.6(2) ?
N1 N2 C8 C9 . . . . 5.7(4) ?
C13 C8 C9 C10 . . . . 1.4(4) ?
N2 C8 C9 C10 . . . . -176.8(3) ?
C8 C9 C10 C11 . . . . -0.1(4) ?
C8 C9 C10 C27 . . . . 178.9(3) ?
C9 C10 C11 O3 . . . . -179.2(2) ?
C27 C10 C11 O3 . . . . 1.8(4) ?
C9 C10 C11 C12 . . . . -0.1(4) ?
C27 C10 C11 C12 . . . . -179.1(3) ?
O3 C11 C12 C13 . . . . 178.2(3) ?
C10 C11 C12 C13 . . . . -1.0(4) ?
O3 C11 C12 C28 . . . . -4.3(4) ?
C10 C11 C12 C28 . . . . 176.6(3) ?
C9 C8 C13 C12 . . . . -2.5(4) ?
N2 C8 C13 C12 . . . . 175.8(3) ?
C11 C12 C13 C8 . . . . 2.3(4) ?
C28 C12 C13 C8 . . . . -175.2(3) ?
Sn1 O5 C14 O4 . . . . -7.2(2) ?
Sn1 O5 C14 C15 . . . . 169.3(2) ?
Sn1 O4 C14 O5 . . . . 10.2(3) ?
Sn2 O4 C14 O5 3_566 . . . -179.9(2) ?
Sn1 O4 C14 C15 . . . . -166.49(17) ?
Sn2 O4 C14 C15 3_566 . . . 3.5(5) ?
O5 C14 C15 C16 . . . . -20.6(4) ?
O4 C14 C15 C16 . . . . 156.1(2) ?
O5 C14 C15 C20 . . . . 162.7(3) ?
O4 C14 C15 C20 . . . . -20.6(4) ?
C20 C15 C16 C17 . . . . 3.3(4) ?
C14 C15 C16 C17 . . . . -173.4(2) ?
C15 C16 C17 C18 . . . . -2.3(4) ?
C16 C17 C18 C19 . . . . -0.5(4) ?
C16 C17 C18 N3 . . . . 176.2(2) ?
N4 N3 C18 C17 . . . . 164.6(2) ?
N4 N3 C18 C19 . . . . -18.8(4) ?
C17 C18 C19 C20 . . . . 2.2(4) ?
N3 C18 C19 C20 . . . . -174.3(3) ?
C18 C19 C20 C15 . . . . -1.2(4) ?
C16 C15 C20 C19 . . . . -1.6(4) ?
C14 C15 C20 C19 . . . . 175.1(2) ?
N3 N4 C21 C26 . . . . 168.2(3) ?
N3 N4 C21 C22 . . . . -15.6(4) ?
C26 C21 C22 C23 . . . . -1.6(4) ?
N4 C21 C22 C23 . . . . -177.7(3) ?
C21 C22 C23 C24 . . . . -2.0(4) ?
C21 C22 C23 C29 . . . . 175.9(3) ?
C22 C23 C24 O6 . . . . -178.1(2) ?
C29 C23 C24 O6 . . . . 3.9(4) ?
C22 C23 C24 C25 . . . . 4.3(4) ?
C29 C23 C24 C25 . . . . -173.6(3) ?
O6 C24 C25 C26 . . . . 179.7(3) ?
C23 C24 C25 C26 . . . . -2.9(4) ?
O6 C24 C25 C30 . . . . -1.9(5) ?
C23 C24 C25 C30 . . . . 175.5(3) ?
C22 C21 C26 C25 . . . . 3.1(4) ?
N4 C21 C26 C25 . . . . 179.4(3) ?
C24 C25 C26 C21 . . . . -0.9(4) ?
C30 C25 C26 C21 . . . . -179.3(3) ?
Sn1 C31 C32A C33 . . . . 172.7(3) ?
Sn1 C31 C32B C33 . . . . -141.5(7) ?
C31 C32B C33 C34 . . . . 120.3(10) ?
C31 C32A C33 C34 . . . . 175.5(3) ?
Sn1 C35A C36A C37A . . . . 156.1(4) ?
C35A C36A C37A C38A . . . . -75.5(7) ?
Sn1 C35B C36B C37B . . . . -67.6(15) ?
C35B C36B C37B C38B . . . . 169.0(12) ?
Sn2 C39 C40 C41 . . . . 177.4(2) ?
C39 C40 C41 C42 . . . . -176.2(3) ?
Sn2 C43 C44 C45 . . . . -171.4(2) ?
C43 C44 C45 C46 . . . . 179.3(4) ?
