#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:57:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179712 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/14/7001434.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_7001434
loop_
_publ_author_name
'Hitchcock, Peter B.'
'Lappert, Michael F.'
'Pierssens, Luc J.-M.'
'Protchenko, Andrey V.'
'Uiterweerd, Patrick G. H.'
_publ_section_title
;
 Synthesis and characterisation of twelve SnIV diaryls and formation of
 a SnIII triaryl
;
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              4578
_journal_page_last               4585
_journal_paper_doi               10.1039/b820835b
_journal_year                    2009
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C40 H60 N8 O2 Sn2, 0.5(C4 H10 O)'
_chemical_formula_sum            'C42 H65 N8 O2.5 Sn2'
_chemical_formula_weight         959.4
_chemical_name_systematic
;
?
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location
ftp://ftp.iucr.org/cifdics/cif_core_2.1beta5.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.1beta5
_audit_creation_date             1999-06-28T12:16:32-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.315(4)
_cell_length_b                   19.714(3)
_cell_length_c                   21.970(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      10
_cell_measurement_theta_min      7
_cell_measurement_wavelength     0.71073
_cell_volume                     9232(3)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'scintillation LiI'
_diffrn_detector_dtime           1.195
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf Nonius TurboCAD4'
_diffrn_measurement_method       'non-profiled omega/2theta scans'
_diffrn_orient_matrix_type
;
x-axis points to radiation source
the matrix is specified in reciprocal space
;
_diffrn_orient_matrix_UB_11      0.22408E-1
_diffrn_orient_matrix_UB_12      -0.17649E-1
_diffrn_orient_matrix_UB_13      0.37108E-1
_diffrn_orient_matrix_UB_21      -0.8565E-2
_diffrn_orient_matrix_UB_22      -0.04347
_diffrn_orient_matrix_UB_23      -0.15372E-1
_diffrn_orient_matrix_UB_31      0.44687E-1
_diffrn_orient_matrix_UB_32      0.507E-3
_diffrn_orient_matrix_UB_33      -0.21439E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5646
_diffrn_reflns_theta_full        21.97
_diffrn_reflns_theta_max         21.97
_diffrn_reflns_theta_min         2.07
_diffrn_source                   'Enraf Nonius FR590'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.125
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
North A.C.T., Phillips D.C. & Mathews F.S. (1968) Acta. Cryst. A24, 351
Number of psi-scan sets used was 1
Theta correction was applied.
Averaged transmission function was used.
No Fourier smoothing was applied.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3944
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.518
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.12
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         5646
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0669P)²+24.1452P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1177
_refine_ls_wR_factor_ref         0.1277
_reflns_number_gt                4448
_reflns_number_total             5646
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b820835b.txt
_cod_data_source_block           (2)-jun1399
_cod_database_code               7001434
#BEGIN Tags that were not found in dictionaries:
_exptl_absorpt_factor_mur        0.179
_exptl_absorpt_correction_t_ave  0.8009
_diffrn_standards_decay_corr_max 1.018
_diffrn_standards_decay_corr_min 0.953
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.22923(2) 0.36400(2) 0.42880(2) 0.02754(18) Uani 1 1 d . . .
Sn2 Sn 0.24200(2) 0.31344(2) 0.55834(2) 0.02467(17) Uani 1 1 d . . .
O1 O 0.2666(2) 0.3940(2) 0.5080(2) 0.0296(11) Uani 1 1 d . . .
O2 O 0.2062(2) 0.2823(2) 0.4781(2) 0.0296(11) Uani 1 1 d . . .
O3 O 0.5 0.5 0.5 0.116(4) Uani 1 2 d SD . .
N1 N 0.1191(3) 0.5093(3) 0.4574(3) 0.0491(18) Uani 1 1 d . . .
N2 N 0.1661(3) 0.3076(3) 0.3403(3) 0.0371(16) Uani 1 1 d . . .
N3 N 0.2845(3) 0.4733(3) 0.3888(3) 0.0454(18) Uani 1 1 d . . .
N4 N 0.3226(3) 0.2384(3) 0.3443(3) 0.0400(16) Uani 1 1 d . . .
N5 N 0.4160(3) 0.3040(4) 0.5819(3) 0.0465(18) Uani 1 1 d . . .
N6 N 0.2149(3) 0.1919(3) 0.5916(3) 0.0326(14) Uani 1 1 d . . .
N7 N 0.2787(3) 0.3976(3) 0.6436(3) 0.0358(15) Uani 1 1 d . . .
N8 N 0.0744(3) 0.2990(4) 0.6080(4) 0.060(2) Uani 1 1 d . . .
C1 C 0.1405(3) 0.4064(4) 0.3984(3) 0.0361(19) Uani 1 1 d . . .
C2 C 0.1033(4) 0.4638(4) 0.4116(3) 0.041(2) Uani 1 1 d . . .
C3 C 0.0490(4) 0.4735(4) 0.3761(3) 0.042(2) Uani 1 1 d . . .
H3 H 0.0222 0.5107 0.3847 0.05 Uiso 1 1 calc R . .
C4 C 0.0340(4) 0.4304(5) 0.3291(4) 0.048(2) Uani 1 1 d . . .
H4 H -0.0023 0.4391 0.3052 0.058 Uiso 1 1 calc R . .
C5 C 0.0711(4) 0.3742(5) 0.3159(4) 0.047(2) Uani 1 1 d . . .
H5 H 0.0609 0.3443 0.2835 0.056 Uiso 1 1 calc R . .
C6 C 0.1231(3) 0.3638(4) 0.3518(3) 0.0357(19) Uani 1 1 d . . .
C7 C 0.0790(4) 0.5680(4) 0.4663(4) 0.060(3) Uani 1 1 d . . .
H7A H 0.0718 0.5904 0.4271 0.09 Uiso 1 1 calc R . .
H7B H 0.0994 0.5998 0.4943 0.09 Uiso 1 1 calc R . .
H7C H 0.0388 0.5535 0.4835 0.09 Uiso 1 1 calc R . .
C8 C 0.1420(7) 0.4837(6) 0.5153(4) 0.120(6) Uani 1 1 d . . .
H8A H 0.1418 0.434 0.5147 0.179 Uiso 1 1 calc R . .
H8B H 0.1148 0.4999 0.5482 0.179 Uiso 1 1 calc R . .
H8C H 0.1849 0.4999 0.5221 0.179 Uiso 1 1 calc R . .
C9 C 0.1401(4) 0.2412(4) 0.3547(4) 0.050(2) Uani 1 1 d . . .
H9A H 0.1257 0.2408 0.3971 0.075 Uiso 1 1 calc R . .
H9B H 0.1724 0.2065 0.3492 0.075 Uiso 1 1 calc R . .
H9C H 0.1047 0.2318 0.3276 0.075 Uiso 1 1 calc R . .
C10 C 0.1914(4) 0.3090(4) 0.2782(3) 0.046(2) Uani 1 1 d . . .
H10A H 0.1575 0.3007 0.2491 0.07 Uiso 1 1 calc R . .
H10B H 0.2235 0.2737 0.2739 0.07 Uiso 1 1 calc R . .
H10C H 0.2102 0.3535 0.2702 0.07 Uiso 1 1 calc R . .
C11 C 0.3077(3) 0.3582(4) 0.3670(3) 0.0295(17) Uani 1 1 d . . .
C12 C 0.3218(4) 0.4245(4) 0.3552(3) 0.039(2) Uani 1 1 d . . .
C13 C 0.3665(4) 0.4437(5) 0.3113(4) 0.051(2) Uani 1 1 d . . .
H13 H 0.3755 0.49 0.3032 0.062 Uiso 1 1 calc R . .
C14 C 0.3964(4) 0.3920(5) 0.2809(4) 0.059(3) Uani 1 1 d . . .
H14 H 0.4272 0.403 0.2513 0.07 Uiso 1 1 calc R . .
C15 C 0.3832(4) 0.3253(4) 0.2920(3) 0.043(2) Uani 1 1 d . . .
H15 H 0.405 0.2912 0.2699 0.052 Uiso 1 1 calc R . .
C16 C 0.3388(3) 0.3061(4) 0.3348(3) 0.0348(19) Uani 1 1 d . . .
C17 C 0.3216(6) 0.5114(5) 0.4335(4) 0.090(4) Uani 1 1 d . . .
H17A H 0.3426 0.4796 0.4611 0.135 Uiso 1 1 calc R . .
H17B H 0.2939 0.5413 0.4569 0.135 Uiso 1 1 calc R . .
H17C H 0.3532 0.5388 0.4123 0.135 Uiso 1 1 calc R . .
C18 C 0.2480(5) 0.5193(5) 0.3491(4) 0.080(3) Uani 1 1 d . . .
H18A H 0.2762 0.5523 0.3302 0.12 Uiso 1 1 calc R . .
H18B H 0.2164 0.5431 0.3734 0.12 Uiso 1 1 calc R . .
H18C H 0.2271 0.4927 0.3173 0.12 Uiso 1 1 calc R . .
C19 C 0.3216(5) 0.2129(4) 0.4064(4) 0.057(3) Uani 1 1 d . . .
H19A H 0.3638 0.2157 0.4239 0.085 Uiso 1 1 calc R . .
H19B H 0.3076 0.1655 0.4063 0.085 Uiso 1 1 calc R . .
H19C H 0.2926 0.2402 0.4309 0.085 Uiso 1 1 calc R . .
C20 C 0.3481(4) 0.1882(4) 0.3016(4) 0.053(2) Uani 1 1 d . . .
H20A H 0.3406 0.2034 0.2598 0.08 Uiso 1 1 calc R . .
H20B H 0.3274 0.1444 0.3082 0.08 Uiso 1 1 calc R . .
H20C H 0.3933 0.1833 0.3084 0.08 Uiso 1 1 calc R . .
C21 C 0.3154(3) 0.2440(3) 0.5850(3) 0.0269(17) Uani 1 1 d . . .
C22 C 0.3811(4) 0.2450(4) 0.5926(3) 0.0379(19) Uani 1 1 d . . .
C23 C 0.4094(4) 0.1857(4) 0.6152(4) 0.047(2) Uani 1 1 d . . .
H23 H 0.4535 0.1849 0.6215 0.057 Uiso 1 1 calc R . .
C24 C 0.3744(4) 0.1283(4) 0.6283(4) 0.049(2) Uani 1 1 d . . .
H24 H 0.395 0.0887 0.6426 0.058 Uiso 1 1 calc R . .
C25 C 0.3113(4) 0.1276(4) 0.6211(3) 0.043(2) Uani 1 1 d . . .
H25 H 0.2874 0.0885 0.631 0.052 Uiso 1 1 calc R . .
C26 C 0.2828(3) 0.1854(4) 0.5990(3) 0.0285(17) Uani 1 1 d . . .
C27 C 0.4087(4) 0.3372(4) 0.5235(4) 0.058(3) Uani 1 1 d . . .
H27A H 0.4268 0.3086 0.4915 0.087 Uiso 1 1 calc R . .
H27B H 0.4303 0.381 0.5242 0.087 Uiso 1 1 calc R . .
H27C H 0.364 0.3443 0.5153 0.087 Uiso 1 1 calc R . .
C28 C 0.4816(4) 0.3016(6) 0.6001(5) 0.080(3) Uani 1 1 d . . .
H28A H 0.4846 0.2865 0.6425 0.12 Uiso 1 1 calc R . .
H28B H 0.5002 0.3468 0.5962 0.12 Uiso 1 1 calc R . .
H28C H 0.5043 0.2697 0.5739 0.12 Uiso 1 1 calc R . .
C29 C 0.1910(4) 0.1471(4) 0.5436(4) 0.046(2) Uani 1 1 d . . .
H29A H 0.194 0.0998 0.5571 0.068 Uiso 1 1 calc R . .
H29B H 0.216 0.1533 0.5066 0.068 Uiso 1 1 calc R . .
H29C H 0.1471 0.1584 0.5352 0.068 Uiso 1 1 calc R . .
C30 C 0.1822(4) 0.1811(4) 0.6494(3) 0.043(2) Uani 1 1 d . . .
H30A H 0.1864 0.1335 0.6616 0.064 Uiso 1 1 calc R . .
H30B H 0.1377 0.1924 0.6445 0.064 Uiso 1 1 calc R . .
H30C H 0.2007 0.2103 0.6808 0.064 Uiso 1 1 calc R . .
C31 C 0.1761(4) 0.3561(4) 0.6225(3) 0.0345(19) Uani 1 1 d . . .
C32 C 0.2111(4) 0.4030(4) 0.6545(3) 0.0375(19) Uani 1 1 d . . .
C33 C 0.1857(5) 0.4489(4) 0.6948(3) 0.052(2) Uani 1 1 d . . .
H33 H 0.2114 0.4817 0.7143 0.062 Uiso 1 1 calc R . .
C34 C 0.1229(6) 0.4463(5) 0.7061(4) 0.069(3) Uani 1 1 d . . .
H34 H 0.1042 0.4779 0.7332 0.083 Uiso 1 1 calc R . .
C35 C 0.0868(5) 0.3978(5) 0.6778(4) 0.061(3) Uani 1 1 d . . .
H35 H 0.0435 0.3954 0.6878 0.073 Uiso 1 1 calc R . .
C36 C 0.1107(4) 0.3510(5) 0.6346(4) 0.047(2) Uani 1 1 d . . .
C37 C 0.3092(4) 0.4611(4) 0.6257(4) 0.051(2) Uani 1 1 d . . .
H37A H 0.3054 0.4942 0.6588 0.077 Uiso 1 1 calc R . .
H37B H 0.2889 0.479 0.589 0.077 Uiso 1 1 calc R . .
H37C H 0.3536 0.4526 0.6173 0.077 Uiso 1 1 calc R . .
C38 C 0.3106(4) 0.3658(4) 0.6950(3) 0.044(2) Uani 1 1 d . . .
H38A H 0.3548 0.3583 0.6847 0.066 Uiso 1 1 calc R . .
H38B H 0.2906 0.3222 0.7041 0.066 Uiso 1 1 calc R . .
H38C H 0.3078 0.3954 0.7307 0.066 Uiso 1 1 calc R . .
C39 C 0.0704(4) 0.2965(6) 0.5430(5) 0.077(3) Uani 1 1 d . . .
H39A H 0.0408 0.331 0.5287 0.115 Uiso 1 1 calc R . .
H39B H 0.0559 0.2515 0.5303 0.115 Uiso 1 1 calc R . .
H39C H 0.1119 0.3052 0.5254 0.115 Uiso 1 1 calc R . .
C40 C 0.0137(4) 0.2852(6) 0.6363(5) 0.093(4) Uani 1 1 d . . .
H40A H 0.018 0.2871 0.6807 0.139 Uiso 1 1 calc R . .
H40B H -0.0008 0.2399 0.6243 0.139 Uiso 1 1 calc R . .
H40C H -0.0169 0.3192 0.623 0.139 Uiso 1 1 calc R . .
C41 C 0.4907(13) 0.4896(14) 0.4326(9) 0.125(10) Uiso 0.5 1 d PD A 1
H41A H 0.4459 0.4787 0.4256 0.15 Uiso 0.5 1 calc PR A 1
H41B H 0.4992 0.5332 0.4119 0.15 Uiso 0.5 1 calc PR A 1
C42 C 0.5266(7) 0.4397(8) 0.4042(7) 0.137(6) Uiso 0.5 1 d PD A 1
H42A H 0.5156 0.4375 0.361 0.205 Uiso 0.5 1 calc PR A 1
H42B H 0.5182 0.3957 0.4234 0.205 Uiso 0.5 1 calc PR A 1
H42C H 0.5712 0.4508 0.4085 0.205 Uiso 0.5 1 calc PR A 1
C41A C 0.5403(11) 0.4532(12) 0.4663(10) 0.101(8) Uiso 0.5 1 d PD A 2
H41C H 0.5401 0.4093 0.4882 0.122 Uiso 0.5 1 calc PR A 2
H41D H 0.5837 0.471 0.4683 0.122 Uiso 0.5 1 calc PR A 2
C42A C 0.5266(7) 0.4397(8) 0.4042(7) 0.137(6) Uiso 0.5 1 d P A 2
H42D H 0.5579 0.4084 0.3877 0.205 Uiso 0.5 1 calc PR A 2
H42E H 0.5274 0.4822 0.3812 0.205 Uiso 0.5 1 calc PR A 2
H42F H 0.4848 0.4191 0.4011 0.205 Uiso 0.5 1 calc PR A 2
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 0 '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 0.006 '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_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
6 4 3
7 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 Sn1 O1 82.24(18) . . ?
O2 Sn1 C11 119.2(2) . . ?
O1 Sn1 C11 104.8(2) . . ?
O2 Sn1 C1 105.2(2) . . ?
O1 Sn1 C1 120.0(2) . . ?
C11 Sn1 C1 120.1(3) . . ?
O2 Sn1 N3 163.28(19) . . ?
O1 Sn1 N3 82.50(18) . . ?
C11 Sn1 N3 58.8(2) . . ?
C1 Sn1 N3 88.4(3) . . ?
O2 Sn1 N2 86.22(19) . . ?
O1 Sn1 N2 167.65(18) . . ?
C11 Sn1 N2 84.7(2) . . ?
C1 Sn1 N2 59.1(2) . . ?
N3 Sn1 N2 109.46(19) . . ?
O1 Sn2 O2 81.87(18) . . ?
O1 Sn2 C21 117.5(2) . . ?
O2 Sn2 C21 108.5(2) . . ?
O1 Sn2 C31 102.8(2) . . ?
O2 Sn2 C31 116.3(2) . . ?
C21 Sn2 C31 122.8(3) . . ?
O1 Sn2 N6 162.54(18) . . ?
O2 Sn2 N6 83.08(18) . . ?
C21 Sn2 N6 59.6(2) . . ?
C31 Sn2 N6 91.8(2) . . ?
O1 Sn2 N7 79.30(18) . . ?
O2 Sn2 N7 158.48(18) . . ?
C21 Sn2 N7 89.5(2) . . ?
C31 Sn2 N7 58.8(3) . . ?
N6 Sn2 N7 116.98(18) . . ?
Sn1 O1 Sn2 98.11(19) . . ?
Sn1 O2 Sn2 97.75(19) . . ?
C41A O3 C41A 179.997(6) 5_666 . ?
C41A O3 C41 59.7(15) 5_666 5_666 ?
C41A O3 C41 120.3(15) . 5_666 ?
C41A O3 C41 120.3(15) 5_666 . ?
C41A O3 C41 59.7(15) . . ?
C41 O3 C41 179.998(6) 5_666 . ?
C2 N1 C7 118.1(7) . . ?
C2 N1 C8 119.3(7) . . ?
C7 N1 C8 110.9(7) . . ?
C9 N2 C6 113.9(6) . . ?
C9 N2 C10 111.0(6) . . ?
C6 N2 C10 112.2(6) . . ?
C9 N2 Sn1 114.6(5) . . ?
C6 N2 Sn1 82.6(4) . . ?
C10 N2 Sn1 119.7(5) . . ?
C12 N3 C17 112.6(8) . . ?
C12 N3 C18 113.3(6) . . ?
C17 N3 C18 111.4(7) . . ?
C12 N3 Sn1 82.5(4) . . ?
C17 N3 Sn1 116.1(5) . . ?
C18 N3 Sn1 117.9(6) . . ?
C16 N4 C19 118.4(6) . . ?
C16 N4 C20 117.3(7) . . ?
C19 N4 C20 111.8(6) . . ?
C22 N5 C27 117.7(7) . . ?
C22 N5 C28 115.9(7) . . ?
C27 N5 C28 111.3(7) . . ?
C30 N6 C26 111.2(6) . . ?
C30 N6 C29 111.8(6) . . ?
C26 N6 C29 111.8(6) . . ?
C30 N6 Sn2 119.2(4) . . ?
C26 N6 Sn2 83.7(4) . . ?
C29 N6 Sn2 115.7(4) . . ?
C38 N7 C37 111.7(6) . . ?
C38 N7 C32 111.2(6) . . ?
C37 N7 C32 114.7(6) . . ?
C38 N7 Sn2 114.8(4) . . ?
C37 N7 Sn2 118.8(4) . . ?
C32 N7 Sn2 82.5(4) . . ?
C36 N8 C39 118.1(8) . . ?
C36 N8 C40 116.5(9) . . ?
C39 N8 C40 111.5(8) . . ?
C6 C1 C2 119.5(7) . . ?
C6 C1 Sn1 103.2(5) . . ?
C2 C1 Sn1 137.2(6) . . ?
N1 C2 C3 120.8(7) . . ?
N1 C2 C1 122.1(7) . . ?
C3 C2 C1 117.1(7) . . ?
C4 C3 C2 121.6(8) . . ?
C3 C4 C5 121.1(7) . . ?
C6 C5 C4 117.3(8) . . ?
C1 C6 C5 123.5(8) . . ?
C1 C6 N2 115.0(6) . . ?
C5 C6 N2 121.4(7) . . ?
C1 C6 Sn1 48.5(4) . . ?
C5 C6 Sn1 171.2(6) . . ?
N2 C6 Sn1 66.5(3) . . ?
C12 C11 C16 119.9(7) . . ?
C12 C11 Sn1 103.8(5) . . ?
C16 C11 Sn1 135.8(5) . . ?
C11 C12 C13 122.4(8) . . ?
C11 C12 N3 114.8(7) . . ?
C13 C12 N3 122.8(7) . . ?
C11 C12 Sn1 48.1(4) . . ?
C13 C12 Sn1 169.0(6) . . ?
N3 C12 Sn1 66.7(4) . . ?
C14 C13 C12 116.6(8) . . ?
C15 C14 C13 122.0(8) . . ?
C14 C15 C16 121.6(8) . . ?
C15 C16 N4 122.1(7) . . ?
C15 C16 C11 117.5(7) . . ?
N4 C16 C11 120.4(7) . . ?
C26 C21 C22 119.0(6) . . ?
C26 C21 Sn2 103.0(5) . . ?
C22 C21 Sn2 137.9(6) . . ?
N5 C22 C23 121.5(7) . . ?
N5 C22 C21 121.3(7) . . ?
C23 C22 C21 117.0(7) . . ?
C24 C23 C22 121.5(8) . . ?
C25 C24 C23 121.2(8) . . ?
C24 C25 C26 118.1(8) . . ?
C25 C26 C21 123.1(7) . . ?
C25 C26 N6 123.2(7) . . ?
C21 C26 N6 113.6(6) . . ?
C25 C26 Sn2 171.2(6) . . ?
C21 C26 Sn2 48.4(3) . . ?
N6 C26 Sn2 65.2(3) . . ?
C32 C31 C36 118.7(7) . . ?
C32 C31 Sn2 104.0(5) . . ?
C36 C31 Sn2 137.0(6) . . ?
C33 C32 C31 123.8(8) . . ?
C33 C32 N7 122.7(8) . . ?
C31 C32 N7 113.5(6) . . ?
C33 C32 Sn2 168.8(6) . . ?
C31 C32 Sn2 47.7(4) . . ?
N7 C32 Sn2 66.6(3) . . ?
C34 C33 C32 118.6(9) . . ?
C33 C34 C35 119.5(9) . . ?
C34 C35 C36 123.6(9) . . ?
N8 C36 C35 123.5(8) . . ?
N8 C36 C31 120.8(7) . . ?
C35 C36 C31 115.6(9) . . ?
C42 C41 O3 117.5(17) . . ?
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 O2 2.003(4) . ?
Sn1 O1 2.003(4) . ?
Sn1 C11 2.158(7) . ?
Sn1 C1 2.173(7) . ?
Sn1 N3 2.609(6) . ?
Sn1 N2 2.612(6) . ?
Sn2 O1 2.005(4) . ?
Sn2 O2 2.016(4) . ?
Sn2 C21 2.161(7) . ?
Sn2 C31 2.159(7) . ?
Sn2 N6 2.571(6) . ?
Sn2 N7 2.622(6) . ?
O3 C41A 1.46(2) 5_666 ?
O3 C41A 1.46(2) . ?
O3 C41 1.51(2) 5_666 ?
O3 C41 1.51(2) . ?
N1 C2 1.389(10) . ?
N1 C7 1.451(10) . ?
N1 C8 1.454(11) . ?
N2 C9 1.456(10) . ?
N2 C6 1.459(9) . ?
N2 C10 1.468(9) . ?
N3 C12 1.450(10) . ?
N3 C17 1.468(11) . ?
N3 C18 1.478(11) . ?
N4 C16 1.394(10) . ?
N4 C19 1.455(10) . ?
N4 C20 1.467(9) . ?
N5 C22 1.401(10) . ?
N5 C27 1.449(11) . ?
N5 C28 1.455(10) . ?
N6 C30 1.464(9) . ?
N6 C26 1.462(9) . ?
N6 C29 1.466(9) . ?
N7 C38 1.460(9) . ?
N7 C37 1.464(9) . ?
N7 C32 1.465(10) . ?
N8 C36 1.411(12) . ?
N8 C39 1.432(12) . ?
N8 C40 1.462(11) . ?
C1 C6 1.375(10) . ?
C1 C2 1.412(10) . ?
C2 C3 1.410(10) . ?
C3 C4 1.375(11) . ?
C4 C5 1.391(11) . ?
C5 C6 1.377(10) . ?
C11 C12 1.366(10) . ?
C11 C16 1.412(10) . ?
C12 C13 1.407(11) . ?
C13 C14 1.376(12) . ?
C14 C15 1.368(12) . ?
C15 C16 1.386(11) . ?
C21 C26 1.383(10) . ?
C21 C22 1.410(10) . ?
C22 C23 1.407(10) . ?
C23 C24 1.386(11) . ?
C24 C25 1.353(11) . ?
C25 C26 1.380(10) . ?
C31 C32 1.381(11) . ?
C31 C36 1.423(11) . ?
C32 C33 1.377(11) . ?
C33 C34 1.362(14) . ?
C34 C35 1.376(14) . ?
C35 C36 1.418(12) . ?
C41 C42 1.39(2) . ?
