#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/65/2226511.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_2226511
loop_
_publ_author_name
'Lee, See Mun'
'Mohd Ali, Hapipah'
'Lo, Kong Mun'
_publ_section_title
;
 Dibutyl{N'-[1-(5-chloro-2-oxidophenyl-κO)ethylidene]-3-hydroxy-2-naphthohydrazidato-κ²N',O²}tin(IV)
;
_journal_coeditor_code           HG2693
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m803
_journal_paper_doi               10.1107/S1600536810021896
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Sn (C4 H9)2 (C19 H13 Cl N2 O3)]'
_chemical_formula_moiety         'C27 H31 Cl N2 O3 Sn'
_chemical_formula_sum            'C27 H31 Cl N2 O3 Sn'
_chemical_formula_weight         585.67
_chemical_name_systematic
;Dibutyl{N'-[1-(5-chloro-2-oxidophenyl-κO)ethylidene]-
3-hydroxy-2-naphthohydrazidato-κ²N',O²}tin(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 96.3760(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.8256(13)
_cell_length_b                   7.1994(4)
_cell_length_c                   28.3649(15)
_cell_measurement_reflns_used    9440
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.95
_cell_volume                     5038.3(5)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'XSEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0282
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            37459
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.03
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.152
_exptl_absorpt_correction_T_max  0.8462
_exptl_absorpt_correction_T_min  0.7616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.822
_refine_diff_density_min         -1.496
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.315
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     621
_refine_ls_number_reflns         8881
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.315
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0158P)²+27.1939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0994
_refine_ls_wR_factor_ref         0.1008
_reflns_number_gt                8369
_reflns_number_total             8881
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hg2693.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2226511
_cod_database_fobs_code          2226511
loop_
_symmetry_equiv_pos_as_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_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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.339899(13) 0.57545(4) 0.642199(11) 0.01339(9) Uani d . 1 . .
Sn Sn2 0.663321(13) 0.45272(4) 0.866500(11) 0.01362(9) Uani d . 1 . .
Cl Cl1 0.09889(5) 0.79045(19) 0.48251(5) 0.0265(3) Uani d . 1 . .
Cl Cl2 0.90500(5) 0.15766(18) 1.01382(4) 0.0222(3) Uani d . 1 . .
N N1 0.26021(16) 0.6163(5) 0.66655(13) 0.0155(9) Uani d . 1 . .
N N2 0.26107(16) 0.6250(5) 0.71576(13) 0.0156(9) Uani d . 1 . .
N N3 0.73912(16) 0.3783(5) 0.83779(13) 0.0143(8) Uani d . 1 . .
N N4 0.73331(17) 0.3608(5) 0.78836(13) 0.0154(9) Uani d . 1 . .
O O1 0.29315(13) 0.4587(5) 0.58494(11) 0.0181(7) Uani d . 1 . .
O O2 0.35201(13) 0.6827(5) 0.71334(11) 0.0169(7) Uani d . 1 . .
O O3 0.22477(14) 0.5987(6) 0.79810(12) 0.0249(8) Uani d . 1 . .
H H3A 0.2236 0.5980 0.7684 0.037 Uiso calc R 1 . .
O O4 0.71848(14) 0.5613(5) 0.91961(11) 0.0190(7) Uani d . 1 . .
O O5 0.64255(13) 0.3284(5) 0.79779(11) 0.0172(7) Uani d . 1 . .
O O6 0.76138(14) 0.3611(6) 0.70211(12) 0.0240(8) Uani d . 1 . .
H H6A 0.7662 0.3611 0.7319 0.036 Uiso calc R 1 . .
C C1 0.2097(2) 0.6282(6) 0.58896(17) 0.0161(10) Uani d . 1 . .
C C2 0.24893(19) 0.5410(6) 0.56375(17) 0.0158(10) Uani d . 1 . .
C C3 0.2405(2) 0.5362(7) 0.51393(17) 0.0180(10) Uani d . 1 . .
H H3 0.2668 0.4781 0.4970 0.022 Uiso calc R 1 . .
C C4 0.1953(2) 0.6129(7) 0.48898(17) 0.0175(10) Uani d . 1 . .
H H4 0.1905 0.6096 0.4553 0.021 Uiso calc R 1 . .
C C5 0.1570(2) 0.6953(7) 0.51414(18) 0.0191(11) Uani d . 1 . .
C C6 0.1634(2) 0.7064(7) 0.56248(17) 0.0185(11) Uani d . 1 . .
H H6 0.1367 0.7670 0.5785 0.022 Uiso calc R 1 . .
C C7 0.2130(2) 0.6357(6) 0.64094(17) 0.0157(10) Uani d . 1 . .
C C8 0.3104(2) 0.6565(6) 0.73630(16) 0.0144(10) Uani d . 1 . .
C C9 0.3190(2) 0.6643(6) 0.78861(17) 0.0157(10) Uani d . 1 . .
C C10 0.27594(19) 0.6359(7) 0.81743(17) 0.0167(10) Uani d . 1 . .
C C11 0.2865(2) 0.6438(7) 0.86580(17) 0.0188(11) Uani d . 1 . .
H H11 0.2580 0.6214 0.8847 0.023 Uiso calc R 1 . .
C C12 0.3386(2) 0.6845(7) 0.88818(17) 0.0174(10) Uani d . 1 . .
C C13 0.3501(2) 0.7017(7) 0.93840(18) 0.0221(11) Uani d . 1 . .
H H13 0.3221 0.6813 0.9581 0.027 Uiso calc R 1 . .
C C14 0.4011(2) 0.7474(7) 0.95847(18) 0.0253(12) Uani d . 1 . .
H H14 0.4079 0.7604 0.9919 0.030 Uiso calc R 1 . .
C C15 0.4434(2) 0.7753(8) 0.93039(18) 0.0258(12) Uani d . 1 . .
H H15 0.4786 0.8063 0.9450 0.031 Uiso calc R 1 . .
C C16 0.4345(2) 0.7584(7) 0.88228(18) 0.0231(11) Uani d . 1 . .
H H16 0.4636 0.7767 0.8636 0.028 Uiso calc R 1 . .
C C17 0.3820(2) 0.7133(6) 0.85986(17) 0.0164(10) Uani d . 1 . .
C C18 0.3703(2) 0.7002(6) 0.81034(17) 0.0164(10) Uani d . 1 . .
H H18 0.3989 0.7169 0.7911 0.020 Uiso calc R 1 . .
C C19 0.1629(2) 0.6682(7) 0.66458(18) 0.0198(11) Uani d . 1 . .
H H19A 0.1657 0.6011 0.6948 0.030 Uiso calc R 1 . .
H H19B 0.1313 0.6234 0.6440 0.030 Uiso calc R 1 . .
H H19C 0.1589 0.8014 0.6704 0.030 Uiso calc R 1 . .
C C20 0.3635(2) 0.8241(7) 0.60966(17) 0.0181(10) Uani d . 1 . .
H H20A 0.3316 0.8751 0.5898 0.022 Uiso calc R 1 . .
H H20B 0.3745 0.9162 0.6348 0.022 Uiso calc R 1 . .
C C21 0.4097(2) 0.8011(7) 0.57894(17) 0.0196(11) Uani d . 1 . .
H H21A 0.3985 0.7128 0.5529 0.024 Uiso calc R 1 . .
H H21B 0.4172 0.9222 0.5645 0.024 Uiso calc R 1 . .
C C22 0.4611(2) 0.7306(8) 0.60696(19) 0.0261(12) Uani d . 1 . .
H H22A 0.4533 0.6115 0.6222 0.031 Uiso calc R 1 . .
H H22B 0.4729 0.8208 0.6324 0.031 Uiso calc R 1 . .
C C23 0.5069(2) 0.7017(8) 0.5766(2) 0.0341(14) Uani d . 1 . .
H H23A 0.5391 0.6569 0.5965 0.051 Uiso calc R 1 . .
H H23B 0.5153 0.8196 0.5618 0.051 Uiso calc R 1 . .
H H23C 0.4960 0.6098 0.5519 0.051 Uiso calc R 1 . .
C C24 0.3781(2) 0.3161(6) 0.66053(16) 0.0158(10) Uani d . 1 . .
H H24A 0.3497 0.2197 0.6606 0.019 Uiso calc R 1 . .
H H24B 0.4013 0.2827 0.6356 0.019 Uiso calc R 1 . .
C C25 0.4127(2) 0.3118(7) 0.70831(18) 0.0218(11) Uani d . 1 . .
H H25A 0.3916 0.3649 0.7327 0.026 Uiso calc R 1 . .
H H25B 0.4449 0.3916 0.7066 0.026 Uiso calc R 1 . .
C C26 0.4315(2) 0.1172(7) 0.72372(18) 0.0233(12) Uani d . 1 . .
H H26A 0.4526 0.0628 0.6995 0.028 Uiso calc R 1 . .
H H26B 0.3996 0.0371 0.7263 0.028 Uiso calc R 1 . .
C C27 0.4666(2) 0.1227(9) 0.7715(2) 0.0330(14) Uani d . 1 . .
H H27A 0.4744 -0.0044 0.7826 0.050 Uiso calc R 1 . .
H H27B 0.4472 0.1888 0.7947 0.050 Uiso calc R 1 . .
H H27C 0.5007 0.1873 0.7679 0.050 Uiso calc R 1 . .
C C28 0.79522(19) 0.3650(6) 0.91222(16) 0.0143(10) Uani d . 1 . .
C C29 0.76097(18) 0.4648(6) 0.93933(16) 0.0133(9) Uani d . 1 . .
C C30 0.7725(2) 0.4687(7) 0.98883(17) 0.0168(10) Uani d . 1 . .
H H30 0.7496 0.5376 1.0071 0.020 Uiso calc R 1 . .
C C31 0.8163(2) 0.3747(7) 1.01155(17) 0.0167(10) Uani d . 1 . .
H H31 0.8234 0.3775 1.0451 0.020 Uiso calc R 1 . .
C C32 0.84958(19) 0.2763(6) 0.98459(17) 0.0150(10) Uani d . 1 . .
C C33 0.84028(19) 0.2696(6) 0.93631(17) 0.0138(10) Uani d . 1 . .
H H33 0.8640 0.2010 0.9188 0.017 Uiso calc R 1 . .
C C34 0.7875(2) 0.3568(6) 0.86017(17) 0.0156(10) Uani d . 1 . .
C C35 0.68199(19) 0.3368(6) 0.77180(17) 0.0153(10) Uani d . 1 . .
C C36 0.66883(19) 0.3165(6) 0.71995(16) 0.0148(10) Uani d . 1 . .
C C37 0.70804(19) 0.3304(7) 0.68733(17) 0.0165(10) Uani d . 1 . .
C C38 0.69298(19) 0.3140(7) 0.63940(17) 0.0172(10) Uani d . 1 . .
H H38 0.7196 0.3257 0.6180 0.021 Uiso calc R 1 . .
C C39 0.6383(2) 0.2799(6) 0.62151(17) 0.0159(10) Uani d . 1 . .
C C40 0.6216(2) 0.2574(7) 0.57239(18) 0.0221(11) Uani d . 1 . .
H H40 0.6475 0.2685 0.5503 0.027 Uiso calc R 1 . .
C C41 0.5690(2) 0.2201(7) 0.55652(18) 0.0236(12) Uani d . 1 . .
H H41 0.5587 0.2024 0.5236 0.028 Uiso calc R 1 . .
C C42 0.5290(2) 0.2073(7) 0.58903(18) 0.0237(12) Uani d . 1 . .
H H42 0.4923 0.1828 0.5776 0.028 Uiso calc R 1 . .
C C43 0.5438(2) 0.2303(7) 0.63622(18) 0.0223(11) Uani d . 1 . .
H H43 0.5172 0.2222 0.6577 0.027 Uiso calc R 1 . .
C C44 0.5990(2) 0.2664(6) 0.65380(17) 0.0164(10) Uani d . 1 . .
C C45 0.6156(2) 0.2860(7) 0.70265(17) 0.0169(10) Uani d . 1 . .
H H45 0.5892 0.2777 0.7244 0.020 Uiso calc R 1 . .
C C46 0.8346(2) 0.3182(7) 0.83287(17) 0.0183(11) Uani d . 1 . .
H H46A 0.8328 0.4006 0.8052 0.028 Uiso calc R 1 . .
H H46B 0.8332 0.1886 0.8222 0.028 Uiso calc R 1 . .
H H46C 0.8685 0.3401 0.8533 0.028 Uiso calc R 1 . .
C C47 0.6361(2) 0.2234(7) 0.90457(18) 0.0217(11) Uani d . 1 . .
H H47A 0.6578 0.1134 0.8975 0.026 Uiso calc R 1 . .
H H47B 0.6443 0.2498 0.9389 0.026 Uiso calc R 1 . .
C C48 0.5764(2) 0.1718(7) 0.89511(19) 0.0246(12) Uani d . 1 . .
H H48A 0.5690 0.0651 0.9154 0.029 Uiso calc R 1 . .
H H48B 0.5684 0.1324 0.8616 0.029 Uiso calc R 1 . .
C C49 0.5389(2) 0.3319(7) 0.90469(19) 0.0229(11) Uani d . 1 . .
H H49A 0.5518 0.3891 0.9356 0.028 Uiso calc R 1 . .
H H49B 0.5404 0.4277 0.8798 0.028 Uiso calc R 1 . .
C C50 0.4805(2) 0.2693(8) 0.9054(2) 0.0328(14) Uani d . 1 . .
H H50A 0.4576 0.3775 0.9097 0.049 Uiso calc R 1 . .
H H50B 0.4783 0.1822 0.9316 0.049 Uiso calc R 1 . .
H H50C 0.4680 0.2079 0.8753 0.049 Uiso calc R 1 . .
C C51 0.6336(2) 0.7244(7) 0.84806(17) 0.0185(11) Uani d . 1 . .
H H51A 0.6049 0.7546 0.8684 0.022 Uiso calc R 1 . .
H H51B 0.6636 0.8138 0.8560 0.022 Uiso calc R 1 . .
C C52 0.61069(19) 0.7563(7) 0.79624(17) 0.0182(11) Uani d . 1 . .
H H52A 0.6091 0.8918 0.7902 0.022 Uiso calc R 1 . .
H H52B 0.6361 0.7021 0.7755 0.022 Uiso calc R 1 . .
C C53 0.5552(2) 0.6757(7) 0.78225(18) 0.0220(11) Uani d . 1 . .
H H53A 0.5294 0.7298 0.8027 0.026 Uiso calc R 1 . .
H H53B 0.5564 0.5399 0.7878 0.026 Uiso calc R 1 . .
C C54 0.5348(2) 0.7132(8) 0.73038(19) 0.0292(13) Uani d . 1 . .
H H54A 0.4967 0.6758 0.7242 0.044 Uiso calc R 1 . .
H H54B 0.5565 0.6418 0.7099 0.044 Uiso calc R 1 . .
H H54C 0.5381 0.8460 0.7237 0.044 Uiso calc R 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'
Cl Cl 0.1484 0.1585 '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
O1 Sn1 C20 . . 99.15(17) ?
O1 Sn1 C24 . . 91.79(16) ?
C20 Sn1 C24 . . 134.95(19) ?
O1 Sn1 O2 . . 153.02(13) ?
C20 Sn1 O2 . . 95.08(16) ?
C24 Sn1 O2 . . 94.22(15) ?
O1 Sn1 N1 . . 81.61(14) ?
C20 Sn1 N1 . . 109.07(16) ?
C24 Sn1 N1 . . 115.74(17) ?
O2 Sn1 N1 . . 72.08(13) ?
O4 Sn2 C47 . . 98.34(17) ?
O4 Sn2 C51 . . 90.85(17) ?
C47 Sn2 C51 . . 135.8(2) ?
O4 Sn2 O5 . . 152.42(13) ?
C47 Sn2 O5 . . 94.55(17) ?
C51 Sn2 O5 . . 96.75(16) ?
O4 Sn2 N3 . . 80.65(14) ?
C47 Sn2 N3 . . 109.41(17) ?
C51 Sn2 N3 . . 114.78(17) ?
O5 Sn2 N3 . . 72.08(13) ?
C7 N1 N2 . . 117.5(4) ?
C7 N1 Sn1 . . 128.4(3) ?
N2 N1 Sn1 . . 114.1(3) ?
C8 N2 N1 . . 111.1(4) ?
C34 N3 N4 . . 117.7(4) ?
C34 N3 Sn2 . . 129.0(3) ?
N4 N3 Sn2 . . 113.3(3) ?
C35 N4 N3 . . 110.9(4) ?
C2 O1 Sn1 . . 122.5(3) ?
C8 O2 Sn1 . . 112.6(3) ?
C10 O3 H3A . . 109.5 ?
C29 O4 Sn2 . . 122.5(3) ?
C35 O5 Sn2 . . 112.1(3) ?
C37 O6 H6A . . 109.5 ?
C2 C1 C6 . . 118.1(4) ?
C2 C1 C7 . . 123.9(4) ?
C6 C1 C7 . . 118.0(4) ?
O1 C2 C3 . . 117.8(4) ?
O1 C2 C1 . . 123.2(4) ?
C3 C2 C1 . . 118.9(4) ?
C4 C3 C2 . . 122.0(5) ?
C4 C3 H3 . . 119.0 ?
C2 C3 H3 . . 119.0 ?
C3 C4 C5 . . 118.4(5) ?
C3 C4 H4 . . 120.8 ?
C5 C4 H4 . . 120.8 ?
C6 C5 C4 . . 122.1(5) ?
C6 C5 Cl1 . . 119.3(4) ?
C4 C5 Cl1 . . 118.5(4) ?
C5 C6 C1 . . 120.5(5) ?
C5 C6 H6 . . 119.8 ?
C1 C6 H6 . . 119.8 ?
N1 C7 C1 . . 119.9(4) ?
N1 C7 C19 . . 120.2(4) ?
C1 C7 C19 . . 119.9(4) ?
O2 C8 N2 . . 123.9(4) ?
O2 C8 C9 . . 117.8(4) ?
N2 C8 C9 . . 118.3(4) ?
C18 C9 C10 . . 118.9(4) ?
C18 C9 C8 . . 118.7(4) ?
C10 C9 C8 . . 122.4(4) ?
O3 C10 C11 . . 118.8(4) ?
O3 C10 C9 . . 121.6(4) ?
C11 C10 C9 . . 119.6(5) ?
C10 C11 C12 . . 121.7(5) ?
C10 C11 H11 . . 119.2 ?
C12 C11 H11 . . 119.2 ?
C11 C12 C13 . . 122.6(5) ?
C11 C12 C17 . . 119.3(4) ?
C13 C12 C17 . . 118.1(5) ?
C14 C13 C12 . . 120.5(5) ?
C14 C13 H13 . . 119.7 ?
C12 C13 H13 . . 119.7 ?
C13 C14 C15 . . 121.0(5) ?
C13 C14 H14 . . 119.5 ?
C15 C14 H14 . . 119.5 ?
C16 C15 C14 . . 120.5(5) ?
C16 C15 H15 . . 119.7 ?
C14 C15 H15 . . 119.7 ?
C15 C16 C17 . . 120.4(5) ?
C15 C16 H16 . . 119.8 ?
C17 C16 H16 . . 119.8 ?
C18 C17 C16 . . 122.6(5) ?
C18 C17 C12 . . 117.9(5) ?
C16 C17 C12 . . 119.5(5) ?
C9 C18 C17 . . 122.5(5) ?
C9 C18 H18 . . 118.7 ?
C17 C18 H18 . . 118.7 ?
C7 C19 H19A . . 109.5 ?
C7 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C7 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C21 C20 Sn1 . . 114.7(3) ?
C21 C20 H20A . . 108.6 ?
Sn1 C20 H20A . . 108.6 ?
C21 C20 H20B . . 108.6 ?
Sn1 C20 H20B . . 108.6 ?
H20A C20 H20B . . 107.6 ?
C22 C21 C20 . . 112.4(4) ?
C22 C21 H21A . . 109.1 ?
C20 C21 H21A . . 109.1 ?
C22 C21 H21B . . 109.1 ?
C20 C21 H21B . . 109.1 ?
H21A C21 H21B . . 107.9 ?
C21 C22 C23 . . 112.9(5) ?
C21 C22 H22A . . 109.0 ?
C23 C22 H22A . . 109.0 ?
C21 C22 H22B . . 109.0 ?
C23 C22 H22B . . 109.0 ?
H22A C22 H22B . . 107.8 ?
C22 C23 H23A . . 109.5 ?
C22 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C22 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C25 C24 Sn1 . . 115.3(3) ?
C25 C24 H24A . . 108.5 ?
Sn1 C24 H24A . . 108.5 ?
C25 C24 H24B . . 108.5 ?
Sn1 C24 H24B . . 108.5 ?
H24A C24 H24B . . 107.5 ?
C24 C25 C26 . . 113.5(4) ?
C24 C25 H25A . . 108.9 ?
C26 C25 H25A . . 108.9 ?
C24 C25 H25B . . 108.9 ?
C26 C25 H25B . . 108.9 ?
H25A C25 H25B . . 107.7 ?
C25 C26 C27 . . 110.9(5) ?
C25 C26 H26A . . 109.5 ?
C27 C26 H26A . . 109.5 ?
C25 C26 H26B . . 109.5 ?
C27 C26 H26B . . 109.5 ?
H26A C26 H26B . . 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 ?
C29 C28 C33 . . 118.4(4) ?
C29 C28 C34 . . 123.4(4) ?
C33 C28 C34 . . 118.2(4) ?
O4 C29 C30 . . 118.3(4) ?
O4 C29 C28 . . 122.4(4) ?
C30 C29 C28 . . 119.3(4) ?
C31 C30 C29 . . 121.4(4) ?
C31 C30 H30 . . 119.3 ?
C29 C30 H30 . . 119.3 ?
C30 C31 C32 . . 118.8(4) ?
C30 C31 H31 . . 120.6 ?
C32 C31 H31 . . 120.6 ?
C33 C32 C31 . . 121.9(4) ?
C33 C32 Cl2 . . 119.7(4) ?
C31 C32 Cl2 . . 118.4(4) ?
C32 C33 C28 . . 120.1(4) ?
C32 C33 H33 . . 119.9 ?
C28 C33 H33 . . 119.9 ?
N3 C34 C28 . . 119.7(4) ?
N3 C34 C46 . . 120.0(4) ?
C28 C34 C46 . . 120.3(4) ?
O5 C35 N4 . . 124.5(4) ?
O5 C35 C36 . . 117.8(4) ?
N4 C35 C36 . . 117.7(4) ?
C45 C36 C37 . . 118.7(4) ?
C45 C36 C35 . . 117.9(4) ?
C37 C36 C35 . . 123.4(4) ?
O6 C37 C38 . . 117.8(4) ?
O6 C37 C36 . . 121.6(4) ?
C38 C37 C36 . . 120.5(4) ?
C37 C38 C39 . . 120.9(4) ?
C37 C38 H38 . . 119.6 ?
C39 C38 H38 . . 119.6 ?
C44 C39 C38 . . 118.9(4) ?
C44 C39 C40 . . 118.8(5) ?
C38 C39 C40 . . 122.4(5) ?
C41 C40 C39 . . 120.9(5) ?
C41 C40 H40 . . 119.6 ?
C39 C40 H40 . . 119.6 ?
C40 C41 C42 . . 120.6(5) ?
C40 C41 H41 . . 119.7 ?
C42 C41 H41 . . 119.7 ?
C43 C42 C41 . . 119.8(5) ?
C43 C42 H42 . . 120.1 ?
C41 C42 H42 . . 120.1 ?
C42 C43 C44 . . 120.7(5) ?
C42 C43 H43 . . 119.7 ?
C44 C43 H43 . . 119.7 ?
C45 C44 C39 . . 118.8(4) ?
C45 C44 C43 . . 121.8(5) ?
C39 C44 C43 . . 119.3(4) ?
C36 C45 C44 . . 122.2(5) ?
C36 C45 H45 . . 118.9 ?
C44 C45 H45 . . 118.9 ?
C34 C46 H46A . . 109.5 ?
C34 C46 H46B . . 109.5 ?
H46A C46 H46B . . 109.5 ?
C34 C46 H46C . . 109.5 ?
H46A C46 H46C . . 109.5 ?
H46B C46 H46C . . 109.5 ?
C48 C47 Sn2 . . 117.3(3) ?
C48 C47 H47A . . 108.0 ?
Sn2 C47 H47A . . 108.0 ?
C48 C47 H47B . . 108.0 ?
Sn2 C47 H47B . . 108.0 ?
H47A C47 H47B . . 107.2 ?
C47 C48 C49 . . 112.7(4) ?
C47 C48 H48A . . 109.0 ?
C49 C48 H48A . . 109.0 ?
C47 C48 H48B . . 109.0 ?
C49 C48 H48B . . 109.0 ?
H48A C48 H48B . . 107.8 ?
C50 C49 C48 . . 112.4(4) ?
C50 C49 H49A . . 109.1 ?
C48 C49 H49A . . 109.1 ?
C50 C49 H49B . . 109.1 ?
C48 C49 H49B . . 109.1 ?
H49A C49 H49B . . 107.9 ?
C49 C50 H50A . . 109.5 ?
C49 C50 H50B . . 109.5 ?
H50A C50 H50B . . 109.5 ?
C49 C50 H50C . . 109.5 ?
H50A C50 H50C . . 109.5 ?
H50B C50 H50C . . 109.5 ?
C52 C51 Sn2 . . 117.0(3) ?
C52 C51 H51A . . 108.1 ?
Sn2 C51 H51A . . 108.1 ?
C52 C51 H51B . . 108.1 ?
Sn2 C51 H51B . . 108.1 ?
H51A C51 H51B . . 107.3 ?
C53 C52 C51 . . 115.2(4) ?
C53 C52 H52A . . 108.5 ?
C51 C52 H52A . . 108.5 ?
C53 C52 H52B . . 108.5 ?
C51 C52 H52B . . 108.5 ?
H52A C52 H52B . . 107.5 ?
C52 C53 C54 . . 112.4(4) ?
C52 C53 H53A . . 109.1 ?
C54 C53 H53A . . 109.1 ?
C52 C53 H53B . . 109.1 ?
C54 C53 H53B . . 109.1 ?
H53A C53 H53B . . 107.8 ?
C53 C54 H54A . . 109.5 ?
C53 C54 H54B . . 109.5 ?
H54A C54 H54B . . 109.5 ?
C53 C54 H54C . . 109.5 ?
H54A C54 H54C . . 109.5 ?
H54B C54 H54C . . 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 O1 . 2.067(3) ?
Sn1 C20 . 2.126(5) ?
Sn1 C24 . 2.132(4) ?
Sn1 O2 . 2.150(3) ?
Sn1 N1 . 2.186(4) ?
Sn2 O4 . 2.073(3) ?
Sn2 C47 . 2.123(5) ?
Sn2 C51 . 2.135(5) ?
Sn2 O5 . 2.155(3) ?
Sn2 N3 . 2.198(4) ?
Cl1 C5 . 1.751(5) ?
Cl2 C32 . 1.748(5) ?
N1 C7 . 1.316(6) ?
N1 N2 . 1.395(5) ?
N2 C8 . 1.316(6) ?
N3 C34 . 1.304(6) ?
N3 N4 . 1.399(5) ?
N4 C35 . 1.319(6) ?
O1 C2 . 1.331(6) ?
O2 C8 . 1.294(6) ?
O3 C10 . 1.353(6) ?
O3 H3A . 0.8400 ?
O4 C29 . 1.333(6) ?
O5 C35 . 1.291(6) ?
O6 C37 . 1.362(6) ?
O6 H6A . 0.8400 ?
C1 C2 . 1.417(7) ?
C1 C6 . 1.418(7) ?
C1 C7 . 1.469(7) ?
C2 C3 . 1.406(7) ?
C3 C4 . 1.374(7) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.385(7) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.365(7) ?
C6 H6 . 0.9500 ?
C7 C19 . 1.496(7) ?
C8 C9 . 1.476(6) ?
C9 C18 . 1.377(7) ?
C9 C10 . 1.431(7) ?
C10 C11 . 1.369(7) ?
C11 C12 . 1.407(7) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.427(7) ?
C12 C17 . 1.427(7) ?
C13 C14 . 1.370(8) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.402(8) ?
C14 H14 . 0.9500 ?
C15 C16 . 1.363(7) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.424(7) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.405(7) ?
C18 H18 . 0.9500 ?
C19 H19A . 0.9800 ?
C19 H19B . 0.9800 ?
C19 H19C . 0.9800 ?
C20 C21 . 1.525(7) ?
C20 H20A . 0.9900 ?
C20 H20B . 0.9900 ?
C21 C22 . 1.514(7) ?
C21 H21A . 0.9900 ?
C21 H21B . 0.9900 ?
C22 C23 . 1.514(8) ?
C22 H22A . 0.9900 ?
C22 H22B . 0.9900 ?
C23 H23A . 0.9800 ?
C23 H23B . 0.9800 ?
C23 H23C . 0.9800 ?
C24 C25 . 1.522(7) ?
C24 H24A . 0.9900 ?
C24 H24B . 0.9900 ?
C25 C26 . 1.526(7) ?
C25 H25A . 0.9900 ?
C25 H25B . 0.9900 ?
C26 C27 . 1.528(7) ?
C26 H26A . 0.9900 ?
C26 H26B . 0.9900 ?
C27 H27A . 0.9800 ?
C27 H27B . 0.9800 ?
C27 H27C . 0.9800 ?
C28 C29 . 1.406(7) ?
C28 C33 . 1.421(7) ?
C28 C34 . 1.469(6) ?
C29 C30 . 1.402(6) ?
C30 C31 . 1.378(7) ?
C30 H30 . 0.9500 ?
C31 C32 . 1.383(7) ?
C31 H31 . 0.9500 ?
C32 C33 . 1.364(7) ?
C33 H33 . 0.9500 ?
C34 C46 . 1.498(7) ?
C35 C36 . 1.478(6) ?
C36 C45 . 1.375(7) ?
C36 C37 . 1.419(7) ?
C37 C38 . 1.375(7) ?
C38 C39 . 1.418(7) ?
C38 H38 . 0.9500 ?
C39 C44 . 1.414(7) ?
C39 C40 . 1.418(7) ?
C40 C41 . 1.359(8) ?
C40 H40 . 0.9500 ?
C41 C42 . 1.431(8) ?
C41 H41 . 0.9500 ?
C42 C43 . 1.358(7) ?
C42 H42 . 0.9500 ?
C43 C44 . 1.427(7) ?
C43 H43 . 0.9500 ?
C44 C45 . 1.408(7) ?
C45 H45 . 0.9500 ?
C46 H46A . 0.9800 ?
C46 H46B . 0.9800 ?
C46 H46C . 0.9800 ?
C47 C48 . 1.524(7) ?
C47 H47A . 0.9900 ?
C47 H47B . 0.9900 ?
C48 C49 . 1.525(7) ?
C48 H48A . 0.9900 ?
C48 H48B . 0.9900 ?
C49 C50 . 1.519(7) ?
C49 H49A . 0.9900 ?
C49 H49B . 0.9900 ?
C50 H50A . 0.9800 ?
C50 H50B . 0.9800 ?
C50 H50C . 0.9800 ?
C51 C52 . 1.533(7) ?
C51 H51A . 0.9900 ?
C51 H51B . 0.9900 ?
C52 C53 . 1.507(7) ?
C52 H52A . 0.9900 ?
C52 H52B . 0.9900 ?
C53 C54 . 1.526(7) ?
C53 H53A . 0.9900 ?
C53 H53B . 0.9900 ?
C54 H54A . 0.9800 ?
C54 H54B . 0.9800 ?
C54 H54C . 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
O3 H3A N2 . 0.84 1.85 2.602(5) 147.4
O6 H6A N4 . 0.84 1.88 2.617(5) 146.3
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
O1 Sn1 N1 C7 . . . . -27.5(4) ?
C20 Sn1 N1 C7 . . . . 69.4(4) ?
C24 Sn1 N1 C7 . . . . -115.4(4) ?
O2 Sn1 N1 C7 . . . . 158.6(4) ?
O1 Sn1 N1 N2 . . . . 153.6(3) ?
C20 Sn1 N1 N2 . . . . -109.6(3) ?
C24 Sn1 N1 N2 . . . . 65.7(3) ?
O2 Sn1 N1 N2 . . . . -20.3(3) ?
C7 N1 N2 C8 . . . . -162.1(4) ?
Sn1 N1 N2 C8 . . . . 17.0(5) ?
O4 Sn2 N3 C34 . . . . 23.2(4) ?
C47 Sn2 N3 C34 . . . . -72.5(4) ?
C51 Sn2 N3 C34 . . . . 109.8(4) ?
O5 Sn2 N3 C34 . . . . -161.0(4) ?
O4 Sn2 N3 N4 . . . . -153.8(3) ?
C47 Sn2 N3 N4 . . . . 110.6(3) ?
C51 Sn2 N3 N4 . . . . -67.2(3) ?
O5 Sn2 N3 N4 . . . . 22.1(3) ?
C34 N3 N4 C35 . . . . 163.4(4) ?
Sn2 N3 N4 C35 . . . . -19.3(4) ?
C20 Sn1 O1 C2 . . . . -61.1(4) ?
C24 Sn1 O1 C2 . . . . 162.8(4) ?
O2 Sn1 O1 C2 . . . . 59.9(5) ?
N1 Sn1 O1 C2 . . . . 47.0(4) ?
O1 Sn1 O2 C8 . . . . 7.4(5) ?
C20 Sn1 O2 C8 . . . . 129.2(3) ?
C24 Sn1 O2 C8 . . . . -95.0(3) ?
N1 Sn1 O2 C8 . . . . 20.7(3) ?
C47 Sn2 O4 C29 . . . . 60.2(4) ?
C51 Sn2 O4 C29 . . . . -163.2(4) ?
O5 Sn2 O4 C29 . . . . -56.8(5) ?
N3 Sn2 O4 C29 . . . . -48.2(3) ?
O4 Sn2 O5 C35 . . . . -12.8(5) ?
C47 Sn2 O5 C35 . . . . -130.6(3) ?
C51 Sn2 O5 C35 . . . . 92.2(3) ?
N3 Sn2 O5 C35 . . . . -21.7(3) ?
Sn1 O1 C2 C3 . . . . 138.3(4) ?
Sn1 O1 C2 C1 . . . . -43.3(6) ?
C6 C1 C2 O1 . . . . -178.1(4) ?
C7 C1 C2 O1 . . . . -0.7(7) ?
C6 C1 C2 C3 . . . . 0.2(7) ?
C7 C1 C2 C3 . . . . 177.6(4) ?
O1 C2 C3 C4 . . . . 178.2(4) ?
C1 C2 C3 C4 . . . . -0.2(7) ?
C2 C3 C4 C5 . . . . -0.7(7) ?
C3 C4 C5 C6 . . . . 1.7(8) ?
C3 C4 C5 Cl1 . . . . -179.2(4) ?
C4 C5 C6 C1 . . . . -1.8(8) ?
Cl1 C5 C6 C1 . . . . 179.1(4) ?
C2 C1 C6 C5 . . . . 0.8(7) ?
C7 C1 C6 C5 . . . . -176.8(4) ?
N2 N1 C7 C1 . . . . 179.9(4) ?
Sn1 N1 C7 C1 . . . . 0.9(6) ?
N2 N1 C7 C19 . . . . 0.8(6) ?
Sn1 N1 C7 C19 . . . . -178.2(3) ?
C2 C1 C7 N1 . . . . 22.4(7) ?
C6 C1 C7 N1 . . . . -160.2(4) ?
C2 C1 C7 C19 . . . . -158.6(5) ?
C6 C1 C7 C19 . . . . 18.8(6) ?
Sn1 O2 C8 N2 . . . . -20.6(6) ?
Sn1 O2 C8 C9 . . . . 159.9(3) ?
N1 N2 C8 O2 . . . . 2.4(6) ?
N1 N2 C8 C9 . . . . -178.2(4) ?
O2 C8 C9 C18 . . . . 0.5(6) ?
N2 C8 C9 C18 . . . . -179.0(4) ?
O2 C8 C9 C10 . . . . -179.5(4) ?
N2 C8 C9 C10 . . . . 1.1(7) ?
C18 C9 C10 O3 . . . . -179.5(4) ?
C8 C9 C10 O3 . . . . 0.5(7) ?
C18 C9 C10 C11 . . . . -0.3(7) ?
C8 C9 C10 C11 . . . . 179.6(4) ?
O3 C10 C11 C12 . . . . -179.1(4) ?
C9 C10 C11 C12 . . . . 1.7(7) ?
C10 C11 C12 C13 . . . . 177.1(5) ?
C10 C11 C12 C17 . . . . -1.7(7) ?
C11 C12 C13 C14 . . . . -177.9(5) ?
C17 C12 C13 C14 . . . . 1.0(7) ?
C12 C13 C14 C15 . . . . -1.0(8) ?
C13 C14 C15 C16 . . . . 0.3(8) ?
C14 C15 C16 C17 . . . . 0.4(8) ?
C15 C16 C17 C18 . . . . 177.9(5) ?
C15 C16 C17 C12 . . . . -0.5(7) ?
C11 C12 C17 C18 . . . . 0.2(7) ?
C13 C12 C17 C18 . . . . -178.6(4) ?
C11 C12 C17 C16 . . . . 178.7(5) ?
C13 C12 C17 C16 . . . . -0.2(7) ?
C10 C9 C18 C17 . . . . -1.1(7) ?
C8 C9 C18 C17 . . . . 178.9(4) ?
C16 C17 C18 C9 . . . . -177.2(5) ?
C12 C17 C18 C9 . . . . 1.2(7) ?
O1 Sn1 C20 C21 . . . . -79.3(4) ?
C24 Sn1 C20 C21 . . . . 22.6(5) ?
O2 Sn1 C20 C21 . . . . 123.7(4) ?
N1 Sn1 C20 C21 . . . . -163.5(3) ?
Sn1 C20 C21 C22 . . . . -60.6(5) ?
C20 C21 C22 C23 . . . . 178.3(4) ?
O1 Sn1 C24 C25 . . . . -169.9(4) ?
C20 Sn1 C24 C25 . . . . 85.2(4) ?
O2 Sn1 C24 C25 . . . . -16.3(4) ?
N1 Sn1 C24 C25 . . . . -88.4(4) ?
Sn1 C24 C25 C26 . . . . 170.4(3) ?
C24 C25 C26 C27 . . . . 179.2(4) ?
Sn2 O4 C29 C30 . . . . -135.1(4) ?
Sn2 O4 C29 C28 . . . . 46.9(6) ?
C33 C28 C29 O4 . . . . 178.6(4) ?
C34 C28 C29 O4 . . . . -0.2(7) ?
C33 C28 C29 C30 . . . . 0.6(7) ?
C34 C28 C29 C30 . . . . -178.2(4) ?
O4 C29 C30 C31 . . . . -178.9(4) ?
C28 C29 C30 C31 . . . . -0.9(7) ?
C29 C30 C31 C32 . . . . 0.6(7) ?
C30 C31 C32 C33 . . . . -0.1(7) ?
C30 C31 C32 Cl2 . . . . 180.0(4) ?
C31 C32 C33 C28 . . . . -0.2(7) ?
Cl2 C32 C33 C28 . . . . 179.8(4) ?
C29 C28 C33 C32 . . . . -0.1(7) ?
C34 C28 C33 C32 . . . . 178.8(4) ?
N4 N3 C34 C28 . . . . -177.1(4) ?
Sn2 N3 C34 C28 . . . . 6.1(6) ?
N4 N3 C34 C46 . . . . 1.0(6) ?
Sn2 N3 C34 C46 . . . . -175.8(3) ?
C29 C28 C34 N3 . . . . -26.8(7) ?
C33 C28 C34 N3 . . . . 154.4(4) ?
C29 C28 C34 C46 . . . . 155.1(5) ?
C33 C28 C34 C46 . . . . -23.7(6) ?
Sn2 O5 C35 N4 . . . . 20.6(6) ?
Sn2 O5 C35 C36 . . . . -159.9(3) ?
N3 N4 C35 O5 . . . . -0.7(6) ?
N3 N4 C35 C36 . . . . 179.8(4) ?
O5 C35 C36 C45 . . . . -1.4(7) ?
N4 C35 C36 C45 . . . . 178.1(4) ?
O5 C35 C36 C37 . . . . 177.4(4) ?
N4 C35 C36 C37 . . . . -3.1(7) ?
C45 C36 C37 O6 . . . . 179.8(4) ?
C35 C36 C37 O6 . . . . 1.0(7) ?
C45 C36 C37 C38 . . . . 0.2(7) ?
C35 C36 C37 C38 . . . . -178.6(4) ?
O6 C37 C38 C39 . . . . 179.3(4) ?
C36 C37 C38 C39 . . . . -1.1(7) ?
C37 C38 C39 C44 . . . . 1.2(7) ?
C37 C38 C39 C40 . . . . -178.3(5) ?
C44 C39 C40 C41 . . . . -1.2(7) ?
C38 C39 C40 C41 . . . . 178.3(5) ?
C39 C40 C41 C42 . . . . 1.6(8) ?
C40 C41 C42 C43 . . . . -0.8(8) ?
C41 C42 C43 C44 . . . . -0.2(8) ?
C38 C39 C44 C45 . . . . -0.5(7) ?
C40 C39 C44 C45 . . . . 179.0(4) ?
C38 C39 C44 C43 . . . . -179.4(5) ?
C40 C39 C44 C43 . . . . 0.2(7) ?
C42 C43 C44 C45 . . . . -178.3(5) ?
C42 C43 C44 C39 . . . . 0.6(7) ?
C37 C36 C45 C44 . . . . 0.6(7) ?
C35 C36 C45 C44 . . . . 179.4(4) ?
C39 C44 C45 C36 . . . . -0.4(7) ?
C43 C44 C45 C36 . . . . 178.5(5) ?
O4 Sn2 C47 C48 . . . . 143.3(4) ?
C51 Sn2 C47 C48 . . . . 43.4(5) ?
O5 Sn2 C47 C48 . . . . -61.2(4) ?
N3 Sn2 C47 C48 . . . . -133.7(4) ?
Sn2 C47 C48 C49 . . . . -57.6(5) ?
C47 C48 C49 C50 . . . . -167.9(5) ?
O4 Sn2 C51 C52 . . . . 150.9(4) ?
C47 Sn2 C51 C52 . . . . -106.2(4) ?
O5 Sn2 C51 C52 . . . . -2.6(4) ?
N3 Sn2 C51 C52 . . . . 70.8(4) ?
Sn2 C51 C52 C53 . . . . 75.6(5) ?
C51 C52 C53 C54 . . . . 179.8(4) ?
