#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:39:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180048 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/42/7034218.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_7034218
loop_
_publ_author_name
'Wongmahasirikun, Phonpimon'
'Prom-On, Paweenuch'
'Sangtrirutnugul, Preeyanuch'
'Kongsaeree, Palangpon'
'Phomphrai, Khamphee'
_publ_section_title
;
 Synthesis of cyclic polyesters: effects of alkoxy side chains in
 salicylaldiminato tin(ii) complexes.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12357
_journal_page_last               12364
_journal_paper_doi               10.1039/c5dt00139k
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C34 H50 N2 O4 Sn2, C7, C7 H8'
_chemical_formula_sum            'C48 H58 N2 O4 Sn2'
_chemical_formula_weight         964.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2012-09-29 deposited with the CCDC.
2015-02-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 105.4660(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.3700(4)
_cell_length_b                   20.6235(5)
_cell_length_c                   14.2795(2)
_cell_measurement_reflns_used    24376
_cell_measurement_temperature    298
_cell_measurement_theta_max      28.700
_cell_measurement_theta_min      0.998
_cell_volume                     4646.29(17)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'SIR97(Cascarano al.,Acta Cryst.,1996,A52,C-79)'
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_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  0.0613
_diffrn_reflns_av_sigmaI/netI    0.0537
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29782
_diffrn_reflns_theta_full        28.72
_diffrn_reflns_theta_max         28.72
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    1.117
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.107
_refine_diff_density_min         -1.027
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       0.0047(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         11953
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0566
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0515P)²+1.7379P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0977
_refine_ls_wR_factor_ref         0.1050
_reflns_number_gt                9274
_reflns_number_total             11953
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00139k2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7034218--7034219.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7034218
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sn1 Sn 0.394179(11) 0.259443(8) 0.226123(12) 0.02357(7) Uani 1 1 d .
Sn2 Sn 0.620420(11) 0.257359(8) 0.263167(13) 0.02498(7) Uani 1 1 d .
O2 O 0.48038(11) 0.23720(8) 0.14591(13) 0.0260(4) Uani 1 1 d .
O1 O 0.29958(11) 0.20577(8) 0.12172(12) 0.0263(4) Uani 1 1 d .
C34 C 0.77467(19) 0.21952(15) 0.5898(2) 0.0379(6) Uani 1 1 d .
H34A H 0.7452 0.1900 0.6212 0.046 Uiso 1 1 d R
H34B H 0.7351 0.2394 0.5354 0.046 Uiso 1 1 d R
H34C H 0.8018 0.2525 0.6350 0.046 Uiso 1 1 d R
C32 C 0.88942(18) 0.22898(14) 0.5020(2) 0.0362(6) Uani 1 1 d .
H32A H 0.9311 0.2049 0.4802 0.043 Uiso 1 1 d R
H32B H 0.9170 0.2619 0.5469 0.043 Uiso 1 1 d R
H32C H 0.8504 0.2489 0.4473 0.043 Uiso 1 1 d R
N2 N 0.61990(12) 0.16095(10) 0.18989(14) 0.0231(4) Uani 1 1 d .
C14 C 0.25638(19) 0.20443(15) -0.0952(2) 0.0403(7) Uani 1 1 d .
H14A H 0.2345 0.2344 -0.1473 0.048 Uiso 1 1 d R
H14B H 0.2888 0.1715 -0.1165 0.048 Uiso 1 1 d R
H14C H 0.2920 0.2271 -0.0408 0.048 Uiso 1 1 d R
O3 O 0.71443(11) 0.20658(8) 0.37181(12) 0.0270(4) Uani 1 1 d .
C25 C 0.79786(14) 0.12885(12) 0.48057(16) 0.0216(5) Uani 1 1 d .
O4 O 0.53389(11) 0.24107(8) 0.34492(13) 0.0263(4) Uani 1 1 d .
C30 C 0.7743(2) -0.07498(15) 0.5510(2) 0.0402(7) Uani 1 1 d .
H30A H 0.7887 -0.1190 0.5702 0.048 Uiso 1 1 d R
H30B H 0.7137 -0.0701 0.5328 0.048 Uiso 1 1 d R
H30C H 0.7987 -0.0465 0.6043 0.048 Uiso 1 1 d R
C6 C 0.21686(15) 0.12452(12) 0.01978(16) 0.0216(5) Uani 1 1 d .
C13 C 0.13103(18) 0.22661(14) -0.02952(19) 0.0323(6) Uani 1 1 d .
H13A H 0.0848 0.2069 -0.0106 0.039 Uiso 1 1 d R
H13B H 0.1092 0.2563 -0.0820 0.039 Uiso 1 1 d R
H13C H 0.1664 0.2496 0.0247 0.039 Uiso 1 1 d R
C4 C 0.22048(16) 0.01249(12) 0.08318(18) 0.0232(5) Uani 1 1 d .
C41 C 0.0994(2) 0.17815(16) 0.2091(2) 0.0474(8) Uani 1 1 d .
H41A H 0.1434 0.1569 0.1877 0.057 Uiso 1 1 d R
H41B H 0.1242 0.2024 0.2672 0.057 Uiso 1 1 d R
H41C H 0.0689 0.2071 0.1593 0.057 Uiso 1 1 d R
N1 N 0.39224(12) 0.16712(10) 0.30925(13) 0.0231(4) Uani 1 1 d .
C26 C 0.65307(14) 0.10717(12) 0.22658(17) 0.0225(5) Uani 1 1 d .
H26 H 0.6440 0.0684 0.1879 0.027 Uiso 1 1 d R
C23 C 0.78364(16) 0.01289(12) 0.43394(17) 0.0228(5) Uani 1 1 d .
C2 C 0.30146(14) 0.09823(11) 0.18397(16) 0.0207(5) Uani 1 1 d .
C21 C 0.70638(14) 0.09564(11) 0.32307(16) 0.0211(5) Uani 1 1 d .
C12 C 0.18290(16) 0.17316(12) -0.06322(17) 0.0251(5) Uani 1 1 d .
C22 C 0.73015(15) 0.03040(12) 0.34584(17) 0.0231(5) Uani 1 1 d .
H22 H 0.7082 -0.0023 0.2979 0.028 Uiso 1 1 d R
C7 C 0.35573(15) 0.11309(12) 0.27831(16) 0.0227(5) Uani 1 1 d .
H7 H 0.3622 0.0764 0.3211 0.027 Uiso 1 1 d R
C24 C 0.81733(15) 0.06399(12) 0.49822(17) 0.0243(5) Uani 1 1 d .
H24 H 0.8564 0.0511 0.5582 0.029 Uiso 1 1 d R
C1 C 0.27462(14) 0.14505(11) 0.10928(16) 0.0201(5) Uani 1 1 d .
C20 C 0.73738(14) 0.14617(12) 0.39100(17) 0.0222(5) Uani 1 1 d .
C40 C -0.03027(19) 0.14647(18) 0.2617(2) 0.0424(7) Uani 1 1 d .
H40 H -0.0397 0.1917 0.2707 0.051 Uiso 1 1 d R
C17 C 0.53633(16) 0.18506(12) 0.40431(17) 0.0263(5) Uani 1 1 d .
H17A H 0.5585 0.1492 0.3759 0.032 Uiso 1 1 d R
H17B H 0.5724 0.1934 0.4681 0.032 Uiso 1 1 d R
C3 C 0.27355(15) 0.03321(12) 0.16937(16) 0.0219(5) Uani 1 1 d .
H3 H 0.2920 0.0033 0.2223 0.026 Uiso 1 1 d R
C5 C 0.19338(15) 0.05996(12) 0.01021(17) 0.0232(5) Uani 1 1 d .
H5 H 0.1556 0.0446 -0.0491 0.028 Uiso 1 1 d R
C36 C 0.05343(18) 0.06311(15) 0.21959(19) 0.0363(6) Uani 1 1 d .
H36 H 0.1017 0.0492 0.1986 0.044 Uiso 1 1 d R
C16 C 0.44681(15) 0.17041(13) 0.40926(16) 0.0260(5) Uani 1 1 d .
H16A H 0.4263 0.2039 0.4438 0.031 Uiso 1 1 d R
H16B H 0.4448 0.1295 0.4406 0.031 Uiso 1 1 d R
C38 C -0.0706(2) 0.0359(2) 0.2687(2) 0.0539(10) Uani 1 1 d .
H38 H -0.1089 0.0038 0.2812 0.065 Uiso 1 1 d R
C35 C 0.03986(17) 0.12840(14) 0.23037(17) 0.0300(6) Uani 1 1 d .
C18 C 0.56646(15) 0.16141(13) 0.08939(16) 0.0263(5) Uani 1 1 d .
H18A H 0.5878 0.1931 0.0526 0.032 Uiso 1 1 d R
H18B H 0.5678 0.1193 0.0612 0.032 Uiso 1 1 d R
C39 C -0.0849(2) 0.1004(2) 0.2800(2) 0.0548(10) Uani 1 1 d .
H39 H -0.1332 0.1129 0.3019 0.066 Uiso 1 1 d R
C19 C 0.47661(15) 0.17898(12) 0.09193(18) 0.0268(5) Uani 1 1 d .
H19A H 0.4534 0.1451 0.1232 0.032 Uiso 1 1 d R
H19B H 0.4410 0.1855 0.0273 0.032 Uiso 1 1 d R
C15 C 0.1239(2) 0.14101(15) -0.15219(18) 0.0417(7) Uani 1 1 d .
H15A H 0.0775 0.1211 -0.1338 0.050 Uiso 1 1 d R
H15B H 0.1548 0.1085 -0.1768 0.050 Uiso 1 1 d R
H15C H 0.1025 0.1729 -0.2017 0.050 Uiso 1 1 d R
C31 C 0.84121(16) 0.18202(12) 0.55222(18) 0.0275(5) Uani 1 1 d .
C29 C 0.90405(18) -0.06639(14) 0.4910(2) 0.0366(6) Uani 1 1 d .
H29A H 0.9246 -0.0555 0.4360 0.044 Uiso 1 1 d R
H29B H 0.9177 -0.1108 0.5089 0.044 Uiso 1 1 d R
H29C H 0.9302 -0.0386 0.5446 0.044 Uiso 1 1 d R
C8 C 0.19165(17) -0.05828(12) 0.06366(18) 0.0291(5) Uani 1 1 d .
C33 C 0.90647(19) 0.15408(15) 0.64111(19) 0.0393(7) Uani 1 1 d .
H33A H 0.9488 0.1308 0.6194 0.047 Uiso 1 1 d R
H33B H 0.8790 0.1252 0.6758 0.047 Uiso 1 1 d R
H33C H 0.9329 0.1888 0.6833 0.047 Uiso 1 1 d R
C27 C 0.80744(16) -0.05768(12) 0.46319(18) 0.0278(5) Uani 1 1 d .
C11 C 0.09518(18) -0.06229(14) 0.0276(2) 0.0401(7) Uani 1 1 d .
H11A H 0.0786 -0.1069 0.0166 0.048 Uiso 1 1 d R
H11B H 0.0753 -0.0384 -0.0318 0.048 Uiso 1 1 d R
H11C H 0.0709 -0.0444 0.0762 0.048 Uiso 1 1 d R
C37 C -0.0011(2) 0.01680(18) 0.23907(19) 0.0455(8) Uani 1 1 d .
H37 H 0.0096 -0.0283 0.2308 0.055 Uiso 1 1 d R
C28 C 0.7678(2) -0.10452(14) 0.3810(2) 0.0477(8) Uani 1 1 d .
H28A H 0.7879 -0.0953 0.3251 0.057 Uiso 1 1 d R
H28B H 0.7073 -0.0995 0.3644 0.057 Uiso 1 1 d R
H28C H 0.7824 -0.1482 0.4021 0.057 Uiso 1 1 d R
C10 C 0.2198(2) -0.09903(16) 0.1549(3) 0.0649(12) Uani 1 1 d .
H10A H 0.2010 -0.1430 0.1415 0.078 Uiso 1 1 d R
H10B H 0.1956 -0.0812 0.2035 0.078 Uiso 1 1 d R
H10C H 0.2805 -0.0982 0.1781 0.078 Uiso 1 1 d R
C9 C 0.2294(2) -0.08612(17) -0.0150(3) 0.0627(11) Uani 1 1 d .
H9A H 0.2116 -0.1304 -0.0271 0.075 Uiso 1 1 d R
H9B H 0.2901 -0.0843 0.0072 0.075 Uiso 1 1 d R
H9C H 0.2103 -0.0615 -0.0739 0.075 Uiso 1 1 d R
C47 C 0.5622(3) 0.5117(2) 0.4725(3) 0.0546(10) Uani 1 1 d .
C42 C 0.4432(3) -0.0090(2) 0.5323(4) 0.0623(12) Uani 1 1 d .
C43 C 0.4740(5) 0.0275(4) 0.6084(5) 0.0525(19) Uani 0.50 1 d P
C45 C 0.4501(4) 0.4411(3) 0.3747(4) 0.0942(17) Uani 1 1 d .
C44 C 0.5564(5) 0.0640(3) 0.6184(4) 0.112(2) Uani 1 1 d .
C48 C 0.5306(5) 0.4778(3) 0.3957(5) 0.0479(16) Uani 0.50 1 d P
C51 C 0.4781(5) 0.4760(3) 0.4522(5) 0.0495(17) Uani 0.50 1 d P
C49 C 0.4801(6) -0.0235(4) 0.4595(5) 0.058(2) Uani 0.50 1 d P
C50 C 0.4050(4) -0.0452(4) 0.4628(9) 0.076(3) Uani 0.50 1 d P
C46 C 0.4083(5) 0.4573(4) 0.4533(8) 0.069(3) Uani 0.50 1 d P
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 Sn1 O1 88.49(7) . .
O2 Sn1 N1 102.12(7) . .
O1 Sn1 N1 79.69(7) . .
O2 Sn1 O4 73.03(7) . .
O1 Sn1 O4 139.17(6) . .
N1 Sn1 O4 69.56(6) . .
O4 Sn2 O3 88.85(7) . .
O4 Sn2 N2 101.49(7) . .
O3 Sn2 N2 79.49(7) . .
O4 Sn2 O2 73.06(7) . .
O3 Sn2 O2 139.49(6) . .
N2 Sn2 O2 69.51(6) . .
C19 O2 Sn1 123.02(15) . .
C19 O2 Sn2 113.94(14) . .
Sn1 O2 Sn2 103.30(7) . .
C1 O1 Sn1 136.49(14) . .
C31 C34 H34A 109.5 . .
C31 C34 H34B 108.6 . .
H34A C34 H34B 109.5 . .
C31 C34 H34C 110.2 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C31 C32 H32A 108.8 . .
C31 C32 H32B 110.1 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C26 N2 C18 118.8(2) . .
C26 N2 Sn2 128.77(16) . .
C18 N2 Sn2 112.15(15) . .
C12 C14 H14A 109.9 . .
C12 C14 H14B 109.9 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 108.6 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C20 O3 Sn2 136.62(15) . .
C24 C25 C20 118.2(2) . .
C24 C25 C31 121.7(2) . .
C20 C25 C31 120.0(2) . .
C17 O4 Sn2 123.12(15) . .
C17 O4 Sn1 113.80(14) . .
Sn2 O4 Sn1 103.39(7) . .
C27 C30 H30A 109.9 . .
C27 C30 H30B 108.6 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.9 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C5 C6 C1 118.1(2) . .
C5 C6 C12 121.2(2) . .
C1 C6 C12 120.7(2) . .
C12 C13 H13A 109.0 . .
C12 C13 H13B 109.4 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.9 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C3 C4 C5 116.4(2) . .
C3 C4 C8 123.3(2) . .
C5 C4 C8 120.3(2) . .
C35 C41 H41A 109.5 . .
C35 C41 H41B 109.2 . .
H41A C41 H41B 109.5 . .
C35 C41 H41C 109.7 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C7 N1 C16 118.7(2) . .
C7 N1 Sn1 128.54(16) . .
C16 N1 Sn1 112.53(15) . .
N2 C26 C21 128.0(2) . .
N2 C26 H26 120.0 . .
C21 C26 H26 112.0 . .
C22 C23 C24 116.3(2) . .
C22 C23 C27 123.4(2) . .
C24 C23 C27 120.3(2) . .
C3 C2 C1 120.8(2) . .
C3 C2 C7 115.8(2) . .
C1 C2 C7 123.4(2) . .
C22 C21 C20 120.9(2) . .
C22 C21 C26 115.9(2) . .
C20 C21 C26 123.1(2) . .
C15 C12 C6 112.1(2) . .
C15 C12 C14 107.8(2) . .
C6 C12 C14 110.6(2) . .
C15 C12 C13 106.9(2) . .
C6 C12 C13 109.94(19) . .
C14 C12 C13 109.4(2) . .
C23 C22 C21 121.9(2) . .
C23 C22 H22 119.6 . .
C21 C22 H22 118.5 . .
N1 C7 C2 128.5(2) . .
N1 C7 H7 120.1 . .
C2 C7 H7 111.4 . .
C25 C24 C23 125.0(2) . .
C25 C24 H24 119.8 . .
C23 C24 H24 115.2 . .
O1 C1 C2 121.6(2) . .
O1 C1 C6 120.6(2) . .
C2 C1 C6 117.8(2) . .
O3 C20 C21 121.6(2) . .
O3 C20 C25 120.9(2) . .
C21 C20 C25 117.4(2) . .
C39 C40 C35 120.7(3) . .
C39 C40 H40 120.6 . .
C35 C40 H40 118.7 . .
O4 C17 C16 108.3(2) . .
O4 C17 H17A 109.0 . .
C16 C17 H17A 110.2 . .
O4 C17 H17B 109.3 . .
C16 C17 H17B 110.5 . .
H17A C17 H17B 109.5 . .
C4 C3 C2 122.0(2) . .
C4 C3 H3 119.9 . .
C2 C3 H3 118.1 . .
C6 C5 C4 124.8(2) . .
C6 C5 H5 120.2 . .
C4 C5 H5 115.1 . .
C35 C36 C37 121.2(3) . .
C35 C36 H36 119.8 . .
C37 C36 H36 119.0 . .
N1 C16 C17 107.96(19) . .
N1 C16 H16A 109.1 . .
C17 C16 H16A 110.8 . .
N1 C16 H16B 109.0 . .
C17 C16 H16B 110.5 . .
H16A C16 H16B 109.5 . .
C39 C38 C37 119.9(3) . .
C39 C38 H38 120.5 . .
C37 C38 H38 119.6 . .
C36 C35 C40 118.0(3) . .
C36 C35 C41 120.8(3) . .
C40 C35 C41 121.2(3) . .
N2 C18 C19 107.78(19) . .
N2 C18 H18A 109.3 . .
C19 C18 H18A 110.2 . .
N2 C18 H18B 109.3 . .
C19 C18 H18B 110.8 . .
H18A C18 H18B 109.5 . .
C38 C39 C40 120.5(3) . .
C38 C39 H39 118.8 . .
C40 C39 H39 120.7 . .
O2 C19 C18 108.2(2) . .
O2 C19 H19A 109.2 . .
C18 C19 H19A 110.0 . .
O2 C19 H19B 109.3 . .
C18 C19 H19B 110.7 . .
H19A C19 H19B 109.5 . .
C12 C15 H15A 109.2 . .
C12 C15 H15B 109.3 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.9 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C25 C31 C33 112.2(2) . .
C25 C31 C32 110.0(2) . .
C33 C31 C32 106.9(2) . .
C25 C31 C34 110.2(2) . .
C33 C31 C34 107.5(2) . .
C32 C31 C34 110.0(2) . .
C27 C29 H29A 108.8 . .
C27 C29 H29B 109.3 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 110.2 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C10 C8 C9 109.5(3) . .
C10 C8 C11 108.1(3) . .
C9 C8 C11 108.4(2) . .
C10 C8 C4 111.3(2) . .
C9 C8 C4 109.0(2) . .
C11 C8 C4 110.6(2) . .
C31 C33 H33A 108.9 . .
C31 C33 H33B 109.9 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.6 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C28 C27 C29 108.8(2) . .
C28 C27 C30 108.1(2) . .
C29 C27 C30 109.0(2) . .
C28 C27 C23 111.5(2) . .
C29 C27 C23 110.5(2) . .
C30 C27 C23 108.8(2) . .
C8 C11 H11A 109.2 . .
C8 C11 H11B 110.2 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.0 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C38 C37 C36 119.7(3) . .
C38 C37 H37 120.7 . .
C36 C37 H37 119.6 . .
C27 C28 H28A 110.1 . .
C27 C28 H28B 108.8 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C8 C10 H10A 110.1 . .
C8 C10 H10B 108.6 . .
H10A C10 H10B 109.5 . .
C8 C10 H10C 109.7 . .
H10A C10 H10C 109.4 . .
H10B C10 H10C 109.5 . .
C8 C9 H9A 109.1 . .
C8 C9 H9B 109.2 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 110.1 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C46 C47 C48 178.4(6) 3_666 .
C46 C47 C51 53.7(5) 3_666 3_666
C48 C47 C51 125.3(6) . 3_666
C46 C47 C51 123.2(6) 3_666 .
C48 C47 C51 55.7(5) . .
C51 C47 C51 69.7(5) 3_666 .
C50 C42 C43 172.6(7) . .
C50 C42 C49 60.1(6) . .
C43 C42 C49 127.4(7) . .
C50 C42 C49 126.3(6) . 3_656
C43 C42 C49 61.1(5) . 3_656
C49 C42 C49 66.4(6) . 3_656
C42 C43 C49 62.8(5) . 3_656
C42 C43 C44 120.0(6) . .
C49 C43 C44 57.2(5) 3_656 .
C51 C45 C48 56.6(5) . .
C51 C45 C46 50.7(5) . .
C48 C45 C46 107.1(6) . .
C49 C44 C50 53.9(5) 3_656 3_656
C49 C44 C43 56.4(5) 3_656 .
C50 C44 C43 110.1(5) 3_656 .
C47 C48 C51 71.1(5) . .
C47 C48 C45 125.8(6) . .
C51 C48 C45 54.7(5) . .
C46 C51 C45 73.4(8) . .
C46 C51 C48 141.7(9) . .
C45 C51 C48 68.7(5) . .
C46 C51 C47 54.4(6) . 3_666
C45 C51 C47 127.8(8) . 3_666
C48 C51 C47 163.3(8) . 3_666
C46 C51 C47 164.2(8) . .
C45 C51 C47 121.9(7) . .
C48 C51 C47 53.2(5) . .
C47 C51 C47 110.3(5) 3_666 .
C46 C51 C51 112.1(9) . 3_666
C45 C51 C51 174.3(10) . 3_666
C48 C51 C51 105.7(9) . 3_666
C47 C51 C51 57.8(4) 3_666 3_666
C47 C51 C51 52.6(5) . 3_666
C50 C49 C43 133.8(9) . 3_656
C50 C49 C42 56.2(7) . .
C43 C49 C42 169.1(9) 3_656 .
C50 C49 C44 67.7(8) . 3_656
C43 C49 C44 66.4(6) 3_656 3_656
C42 C49 C44 123.9(9) . 3_656
C50 C49 C42 169.0(9) . 3_656
C43 C49 C42 56.1(6) 3_656 3_656
C42 C49 C42 113.6(6) . 3_656
C44 C49 C42 122.5(7) 3_656 3_656
C50 C49 C49 113.8(10) . 3_656
C43 C49 C49 111.8(11) 3_656 3_656
C42 C49 C49 57.8(5) . 3_656
C44 C49 C49 176.9(10) 3_656 3_656
C42 C49 C49 55.8(7) 3_656 3_656
C42 C50 C49 63.8(5) . .
C42 C50 C44 122.1(6) . 3_656
C49 C50 C44 58.4(6) . 3_656
C51 C46 C47 71.8(6) . 3_666
C51 C46 C45 55.9(6) . .
C47 C46 C45 127.7(7) 3_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O2 2.0917(18) .
Sn1 O1 2.1482(16) .
Sn1 N1 2.248(2) .
Sn1 O4 2.4865(18) .
Sn2 O4 2.0891(19) .
Sn2 O3 2.1444(16) .
Sn2 N2 2.246(2) .
Sn2 O2 2.4869(18) .
O2 C19 1.419(3) .
O1 C1 1.315(3) .
C34 C31 1.544(4) .
C34 H34A 0.9599 .
C34 H34B 0.9603 .
C34 H34C 0.9602 .
C32 C31 1.542(4) .
C32 H32A 0.9602 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
N2 C26 1.284(3) .
N2 C18 1.468(3) .
C14 C12 1.538(4) .
C14 H14A 0.9599 .
C14 H14B 0.9596 .
C14 H14C 0.9599 .
O3 C20 1.309(3) .
C25 C24 1.383(3) .
C25 C20 1.438(3) .
C25 C31 1.538(3) .
O4 C17 1.427(3) .
C30 C27 1.535(4) .
C30 H30A 0.9594 .
C30 H30B 0.9599 .
C30 H30C 0.9601 .
C6 C5 1.382(3) .
C6 C1 1.436(3) .
C6 C12 1.539(3) .
C13 C12 1.545(4) .
C13 H13A 0.9599 .
C13 H13B 0.9598 .
C13 H13C 0.9597 .
C4 C3 1.372(3) .
C4 C5 1.412(3) .
C4 C8 1.536(3) .
C41 C35 1.501(4) .
C41 H41A 0.9599 .
C41 H41B 0.9600 .
C41 H41C 0.9602 .
N1 C7 1.286(3) .
N1 C16 1.470(3) .
C26 C21 1.441(3) .
C26 H26 0.9601 .
C23 C22 1.376(3) .
C23 C24 1.410(3) .
C23 C27 1.535(3) .
C2 C3 1.414(3) .
C2 C1 1.419(3) .
C2 C7 1.435(3) .
C21 C22 1.414(3) .
C21 C20 1.422(3) .
C12 C15 1.527(4) .
C22 H22 0.9599 .
C7 H7 0.9599 .
C24 H24 0.9601 .
C40 C39 1.377(5) .
C40 C35 1.390(4) .
C40 H40 0.9600 .
C17 C16 1.516(3) .
C17 H17A 0.9604 .
C17 H17B 0.9597 .
C3 H3 0.9599 .
C5 H5 0.9601 .
C36 C35 1.380(4) .
C36 C37 1.386(4) .
C36 H36 0.9603 .
C16 H16A 0.9599 .
C16 H16B 0.9601 .
C38 C39 1.367(5) .
C38 C37 1.373(5) .
C38 H38 0.9604 .
C18 C19 1.525(3) .
C18 H18A 0.9600 .
C18 H18B 0.9601 .
C39 H39 0.9599 .
C19 H19A 0.9601 .
C19 H19B 0.9602 .
C15 H15A 0.9599 .
C15 H15B 0.9600 .
C15 H15C 0.9603 .
C31 C33 1.537(4) .
C29 C27 1.535(4) .
C29 H29A 0.9595 .
C29 H29B 0.9602 .
C29 H29C 0.9598 .
C8 C10 1.515(4) .
C8 C9 1.531(4) .
C8 C11 1.527(4) .
C33 H33A 0.9600 .
C33 H33B 0.9596 .
C33 H33C 0.9600 .
C27 C28 1.525(4) .
C11 H11A 0.9601 .
C11 H11B 0.9598 .
C11 H11C 0.9597 .
C37 H37 0.9598 .
C28 H28A 0.9599 .
C28 H28B 0.9601 .
C28 H28C 0.9604 .
C10 H10A 0.9602 .
C10 H10B 0.9598 .
C10 H10C 0.9597 .
C9 H9A 0.9603 .
C9 H9B 0.9599 .
C9 H9C 0.9602 .
C47 C46 1.221(11) 3_666
C47 C48 1.286(9) .
C47 C51 1.426(8) 3_666
C47 C51 1.520(9) .
C42 C50 1.266(11) .
C42 C43 1.307(9) .
C42 C49 1.368(9) .
C42 C49 1.400(10) 3_656
C43 C49 1.379(11) 3_656
C43 C44 1.517(10) .
C45 C51 1.296(8) .
C45 C48 1.480(9) .
C45 C46 1.499(12) .
C44 C49 1.392(9) 3_656
C44 C50 1.512(12) 3_656
C48 C51 1.327(10) .
C51 C46 1.210(11) .
C51 C47 1.426(8) 3_666
C51 C51 1.684(15) 3_666
C49 C50 1.321(12) .
C49 C43 1.379(11) 3_656
C49 C44 1.392(9) 3_656
C49 C42 1.400(10) 3_656
C49 C49 1.516(16) 3_656
C50 C44 1.512(12) 3_656
C46 C47 1.221(11) 3_666
