#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:28:07 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179580 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/45/4504570.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_4504570
loop_
_publ_author_name
'Chandrasekhar, Vadapalli'
'Gopal, Kandasamy'
'Nagendran, Selvarajan'
'Steiner, Alexander'
'Zacchini, Stefano'
_publ_section_title
;
 Influence of Aromatic Substituents on the Supramolecular Architectures of
 Monoorganooxotin Drums
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              267
_journal_paper_doi               10.1021/cg050323c
_journal_volume                  6
_journal_year                    2006
_chemical_formula_sum            'C74 H102 N10 O18 Sn6'
_chemical_formula_weight         2131.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.00(2)
_cell_angle_beta                 105.18(2)
_cell_angle_gamma                100.58(2)
_cell_formula_units_Z            1
_cell_length_a                   10.839(2)
_cell_length_b                   14.138(2)
_cell_length_c                   14.616(3)
_cell_measurement_temperature    213(2)
_cell_volume                     2112.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Stoe IPDS'
_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  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13404
_diffrn_reflns_theta_full        24.23
_diffrn_reflns_theta_max         24.23
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    1.815
_exptl_crystal_density_diffrn    1.675
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1060
_refine_diff_density_max         0.921
_refine_diff_density_min         -0.940
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         6263
_refine_ls_number_restraints     230
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0268
_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)+(0.0491P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0691
_refine_ls_wR_factor_ref         0.0709
_reflns_number_gt                5494
_reflns_number_total             6263
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg050323csi20050707_065511.cif
_cod_data_source_block           compound3
_cod_original_cell_volume        2112.9(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4504570
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.36182(2) 0.542214(17) 0.604609(16) 0.02285(8) Uani 1 1 d . B .
Sn2 Sn 0.51629(2) 0.676962(17) 0.483823(16) 0.02255(8) Uani 1 1 d . . .
Sn3 Sn 0.65608(2) 0.507638(17) 0.659574(16) 0.02340(8) Uani 1 1 d . . .
O1 O 0.5520(2) 0.61456(18) 0.61233(16) 0.0247(5) Uani 1 1 d . . .
O2 O 0.3456(2) 0.57369(18) 0.46383(16) 0.0239(5) Uani 1 1 d . . .
O3 O 0.4628(2) 0.42828(17) 0.61580(16) 0.0246(5) Uani 1 1 d . . .
O4 O 0.3199(2) 0.68218(19) 0.63466(18) 0.0321(6) Uani 1 1 d . . .
O5 O 0.4346(2) 0.77698(19) 0.55458(18) 0.0313(6) Uani 1 1 d . . .
O6 O 0.4170(2) 0.5576(2) 0.75968(17) 0.0311(6) Uani 1 1 d . . .
O7 O 0.6282(2) 0.5460(2) 0.79675(17) 0.0319(6) Uani 1 1 d . . .
O8 O 0.7094(3) 0.3871(2) 0.73437(17) 0.0338(6) Uani 1 1 d . . .
O9 O 0.5876(2) 0.25745(19) 0.63507(17) 0.0315(6) Uani 1 1 d . . .
N1 N 0.2734(5) 1.0946(3) 0.7968(3) 0.0637(12) Uani 1 1 d . . .
H1A H 0.2238 1.0881 0.8352 0.076 Uiso 1 1 calc R . .
H1B H 0.3073 1.1521 0.7857 0.076 Uiso 1 1 calc R . .
N2 N 0.5879(4) 0.6860(3) 1.2066(2) 0.0491(10) Uani 1 1 d . . .
H2A H 0.5195 0.6917 1.2254 0.059 Uiso 1 1 calc R . .
H2B H 0.6648 0.6981 1.2474 0.059 Uiso 1 1 calc R . .
N3 N 1.0162(4) 0.0658(3) 0.9015(3) 0.0539(10) Uani 1 1 d . . .
H3A H 1.0831 0.0922 0.9490 0.065 Uiso 1 1 calc R . .
H3B H 1.0038 0.0047 0.8819 0.065 Uiso 1 1 calc R . .
C10 C 0.3656(3) 0.7638(3) 0.6133(3) 0.0289(8) Uani 1 1 d . . .
C11 C 0.3406(4) 0.8502(3) 0.6600(3) 0.0310(8) Uani 1 1 d . . .
C12 C 0.3945(4) 0.9434(3) 0.6441(3) 0.0368(9) Uani 1 1 d . . .
H12 H 0.4454 0.9511 0.6008 0.044 Uiso 1 1 calc R . .
C13 C 0.3749(4) 1.0238(3) 0.6900(3) 0.0399(10) Uani 1 1 d . . .
H13 H 0.4134 1.0857 0.6787 0.048 Uiso 1 1 calc R . .
C14 C 0.2977(4) 1.0148(3) 0.7540(3) 0.0415(10) Uani 1 1 d . . .
C15 C 0.2441(5) 0.9219(3) 0.7708(3) 0.0460(11) Uani 1 1 d . . .
H15 H 0.1926 0.9140 0.8136 0.055 Uiso 1 1 calc R . .
C16 C 0.2663(4) 0.8425(3) 0.7252(3) 0.0392(10) Uani 1 1 d . . .
H16 H 0.2305 0.7806 0.7382 0.047 Uiso 1 1 calc R . .
C20 C 0.5281(4) 0.5657(3) 0.8186(3) 0.0287(8) Uani 1 1 d . . .
C21 C 0.5454(4) 0.6000(3) 0.9188(3) 0.0313(8) Uani 1 1 d . . .
C22 C 0.4375(4) 0.6102(3) 0.9507(3) 0.0369(9) Uani 1 1 d . . .
H22 H 0.3540 0.5978 0.9071 0.044 Uiso 1 1 calc R . .
C23 C 0.4516(4) 0.6384(3) 1.0453(3) 0.0407(10) Uani 1 1 d . . .
H23 H 0.3777 0.6445 1.0656 0.049 Uiso 1 1 calc R . .
C24 C 0.5741(4) 0.6577(3) 1.1109(3) 0.0358(9) Uani 1 1 d . . .
C25 C 0.6822(4) 0.6509(3) 1.0787(3) 0.0407(10) Uani 1 1 d . . .
H25 H 0.7662 0.6669 1.1216 0.049 Uiso 1 1 calc R . .
C26 C 0.6678(4) 0.6210(3) 0.9841(3) 0.0380(9) Uani 1 1 d . . .
H26 H 0.7417 0.6148 0.9640 0.046 Uiso 1 1 calc R . .
C30 C 0.6817(3) 0.2975(3) 0.7062(2) 0.0291(8) Uani 1 1 d . . .
C31 C 0.7631(3) 0.2355(3) 0.7608(2) 0.0285(8) Uani 1 1 d . . .
C32 C 0.8660(4) 0.2747(3) 0.8400(3) 0.0368(9) Uani 1 1 d . . .
H32 H 0.8800 0.3407 0.8615 0.044 Uiso 1 1 calc R . .
C33 C 0.9486(4) 0.2184(3) 0.8880(3) 0.0413(10) Uani 1 1 d . . .
H33 H 1.0176 0.2465 0.9417 0.050 Uiso 1 1 calc R . .
C34 C 0.9303(4) 0.1204(3) 0.8576(3) 0.0382(10) Uani 1 1 d . . .
C35 C 0.8242(4) 0.0807(3) 0.7789(3) 0.0413(10) Uani 1 1 d . . .
H35 H 0.8080 0.0144 0.7583 0.050 Uiso 1 1 calc R . .
C36 C 0.7433(4) 0.1376(3) 0.7313(3) 0.0363(9) Uani 1 1 d . . .
H36 H 0.6736 0.1097 0.6780 0.044 Uiso 1 1 calc R . .
C41 C 0.1628(4) 0.4721(3) 0.5861(3) 0.0447(10) Uani 1 1 d DU . .
H41A H 0.1245 0.5152 0.6201 0.054 Uiso 1 1 calc R A 1
H41B H 0.1178 0.4692 0.5182 0.054 Uiso 1 1 calc R A 1
C42 C 0.1279(8) 0.3753(6) 0.6146(9) 0.055(2) Uani 0.573(11) 1 d PDU B 1
H42A H 0.1517 0.3799 0.6844 0.066 Uiso 0.573(11) 1 calc PR B 1
H42B H 0.1806 0.3340 0.5933 0.066 Uiso 0.573(11) 1 calc PR B 1
C43 C -0.0145(8) 0.3260(7) 0.5769(9) 0.063(3) Uani 0.573(11) 1 d PDU B 1
H43A H -0.0676 0.3629 0.6034 0.075 Uiso 0.573(11) 1 calc PR B 1
H43B H -0.0415 0.3256 0.5074 0.075 Uiso 0.573(11) 1 calc PR B 1
C44 C -0.0386(11) 0.2257(7) 0.6015(9) 0.079(3) Uani 0.573(11) 1 d PDU B 1
H44A H -0.1246 0.1918 0.5637 0.118 Uiso 0.573(11) 1 calc PR B 1
H44B H -0.0342 0.2263 0.6687 0.118 Uiso 0.573(11) 1 calc PR B 1
H44C H 0.0270 0.1930 0.5883 0.118 Uiso 0.573(11) 1 calc PR B 1
C42' C 0.1420(11) 0.3941(9) 0.6493(10) 0.054(3) Uani 0.427(11) 1 d PDU B 2
H42C H 0.1779 0.4231 0.7156 0.064 Uiso 0.427(11) 1 calc PR B 2
H42D H 0.1934 0.3463 0.6393 0.064 Uiso 0.427(11) 1 calc PR B 2
C43' C 0.0032(12) 0.3407(9) 0.6373(10) 0.066(3) Uani 0.427(11) 1 d PDU B 2
H43C H 0.0011 0.3078 0.6944 0.080 Uiso 0.427(11) 1 calc PR B 2
H43D H -0.0523 0.3886 0.6342 0.080 Uiso 0.427(11) 1 calc PR B 2
C44' C -0.0544(16) 0.2689(14) 0.5533(11) 0.090(5) Uani 0.427(11) 1 d PDU B 2
H44D H -0.1407 0.2363 0.5546 0.135 Uiso 0.427(11) 1 calc PR B 2
H44E H 0.0006 0.2218 0.5541 0.135 Uiso 0.427(11) 1 calc PR B 2
H44F H -0.0610 0.3012 0.4958 0.135 Uiso 0.427(11) 1 calc PR B 2
C51 C 0.6960(4) 0.7772(3) 0.5003(3) 0.0328(9) Uani 1 1 d DU . .
H51A H 0.7672 0.7499 0.5384 0.039 Uiso 1 1 calc R . .
H51B H 0.7103 0.7833 0.4372 0.039 Uiso 1 1 calc R . .
C52 C 0.7051(5) 0.8770(3) 0.5464(4) 0.0555(12) Uani 1 1 d DU . .
H52A H 0.6982 0.8721 0.6116 0.067 Uiso 1 1 calc R . .
H52B H 0.6310 0.9032 0.5111 0.067 Uiso 1 1 calc R . .
C53 C 0.8326(5) 0.9476(4) 0.5497(4) 0.0711(15) Uani 1 1 d DU . .
H53A H 0.8430 0.9488 0.4851 0.085 Uiso 1 1 calc R . .
H53B H 0.8267 1.0128 0.5717 0.085 Uiso 1 1 calc R . .
C54 C 0.9480(5) 0.9215(5) 0.6128(4) 0.088(2) Uani 1 1 d DU . .
H54A H 1.0256 0.9678 0.6118 0.133 Uiso 1 1 calc R . .
H54B H 0.9551 0.8573 0.5909 0.133 Uiso 1 1 calc R . .
H54C H 0.9397 0.9223 0.6773 0.133 Uiso 1 1 calc R . .
C61 C 0.8490(4) 0.5935(3) 0.6946(3) 0.0437(10) Uani 1 1 d DU . .
H61A H 0.8709 0.6042 0.6345 0.052 Uiso 1 1 calc R C 1
H61B H 0.8459 0.6569 0.7235 0.052 Uiso 1 1 calc R C 1
C62 C 0.9612(8) 0.5595(9) 0.7592(6) 0.061(2) Uani 0.554(9) 1 d PDU D 1
H62A H 1.0436 0.5970 0.7530 0.074 Uiso 0.554(9) 1 calc PR D 1
H62B H 0.9567 0.4914 0.7393 0.074 Uiso 0.554(9) 1 calc PR D 1
C63 C 0.9601(9) 0.5702(9) 0.8632(6) 0.074(3) Uani 0.554(9) 1 d PDU D 1
H63A H 0.9481 0.6355 0.8792 0.089 Uiso 0.554(9) 1 calc PR D 1
H63B H 0.8849 0.5241 0.8708 0.089 Uiso 0.554(9) 1 calc PR D 1
C64 C 1.0785(10) 0.5540(10) 0.9307(7) 0.092(4) Uani 0.554(9) 1 d PDU D 1
H64A H 1.0707 0.5623 0.9951 0.138 Uiso 0.554(9) 1 calc PR D 1
H64B H 1.1534 0.6002 0.9249 0.138 Uiso 0.554(9) 1 calc PR D 1
H64C H 1.0898 0.4888 0.9169 0.138 Uiso 0.554(9) 1 calc PR D 1
C62' C 0.9281(11) 0.5884(15) 0.7926(7) 0.090(5) Uani 0.446(9) 1 d PDU D 2
H62C H 0.9180 0.5204 0.8052 0.107 Uiso 0.446(9) 1 calc PR D 2
H62D H 0.8936 0.6223 0.8375 0.107 Uiso 0.446(9) 1 calc PR D 2
C63' C 1.0715(11) 0.6311(16) 0.8117(11) 0.125(7) Uani 0.446(9) 1 d PDU D 2
H63C H 1.1182 0.5795 0.8034 0.151 Uiso 0.446(9) 1 calc PR D 2
H63D H 1.0840 0.6773 0.7656 0.151 Uiso 0.446(9) 1 calc PR D 2
C64' C 1.1256(19) 0.6801(19) 0.9082(14) 0.163(10) Uani 0.446(9) 1 d PDU D 2
H64D H 1.2182 0.7057 0.9192 0.245 Uiso 0.446(9) 1 calc PR D 2
H64E H 1.1129 0.6345 0.9539 0.245 Uiso 0.446(9) 1 calc PR D 2
H64F H 1.0817 0.7327 0.9157 0.245 Uiso 0.446(9) 1 calc PR D 2
N5 N 0.8844(6) 0.8380(4) 0.8713(4) 0.0856(16) Uani 1 1 d . . .
C71 C 0.7752(6) 0.8227(4) 0.8405(4) 0.0623(14) Uani 1 1 d . . .
C72 C 0.6344(6) 0.8039(4) 0.7997(4) 0.0695(16) Uani 1 1 d . . .
H72A H 0.6091 0.8612 0.7732 0.104 Uiso 1 1 calc R . .
H72B H 0.5917 0.7875 0.8491 0.104 Uiso 1 1 calc R . .
H72C H 0.6085 0.7504 0.7497 0.104 Uiso 1 1 calc R . .
N6 N 0.6923(7) -0.0329(5) 0.9808(4) 0.100(2) Uani 1 1 d . . .
C73 C 0.6588(6) 0.0364(5) 0.9678(4) 0.0721(16) Uani 1 1 d . . .
C74 C 0.6162(8) 0.1258(5) 0.9534(6) 0.098(2) Uani 1 1 d . . .
H74A H 0.5240 0.1127 0.9197 0.148 Uiso 1 1 calc R . .
H74B H 0.6654 0.1632 0.9160 0.148 Uiso 1 1 calc R . .
H74C H 0.6303 0.1622 1.0146 0.148 Uiso 1 1 calc R . .
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 O3 102.70(9) . .
O2 Sn1 O1 77.54(9) . .
O3 Sn1 O1 78.05(9) . .
O2 Sn1 C41 98.15(14) . .
O3 Sn1 C41 104.05(14) . .
O1 Sn1 C41 175.58(13) . .
O2 Sn1 O4 88.28(10) . .
O3 Sn1 O4 159.15(10) . .
O1 Sn1 O4 87.29(10) . .
C41 Sn1 O4 91.65(14) . .
O2 Sn1 O6 161.10(10) . .
O3 Sn1 O6 85.95(10) . .
O1 Sn1 O6 88.08(9) . .
C41 Sn1 O6 95.93(15) . .
O4 Sn1 O6 78.75(10) . .
O2 Sn1 Sn2 39.62(7) . .
O3 Sn1 Sn2 99.80(6) . .
O1 Sn1 Sn2 40.00(6) . .
C41 Sn1 Sn2 135.59(12) . .
O4 Sn1 Sn2 77.30(7) . .
O6 Sn1 Sn2 122.86(7) . .
O2 Sn1 Sn3 98.72(6) . .
O3 Sn1 Sn3 40.12(7) . .
O1 Sn1 Sn3 39.74(6) . .
C41 Sn1 Sn3 143.17(11) . .
O4 Sn1 Sn3 121.32(7) . .
O6 Sn1 Sn3 76.95(7) . .
Sn2 Sn1 Sn3 72.944(19) . .
O2 Sn2 O1 78.10(9) . .
O2 Sn2 O3 78.00(9) . 2_666
O1 Sn2 O3 104.11(9) . 2_666
O2 Sn2 C51 176.70(12) . .
O1 Sn2 C51 102.12(13) . .
O3 Sn2 C51 98.78(12) 2_666 .
O2 Sn2 O5 89.39(10) . .
O1 Sn2 O5 85.58(9) . .
O3 Sn2 O5 161.92(9) 2_666 .
C51 Sn2 O5 93.91(13) . .
O2 Sn2 O9 87.40(9) . 2_666
O1 Sn2 O9 158.52(9) . 2_666
O3 Sn2 O9 88.02(10) 2_666 2_666
C51 Sn2 O9 93.26(13) . 2_666
O5 Sn2 O9 78.42(10) . 2_666
O2 Sn2 Sn1 40.06(6) . .
O1 Sn2 Sn1 40.15(6) . .
O3 Sn2 Sn1 100.60(6) 2_666 .
C51 Sn2 Sn1 140.95(11) . .
O5 Sn2 Sn1 76.82(7) . .
O9 Sn2 Sn1 120.88(7) 2_666 .
O2 Sn2 Sn3 39.61(7) . 2_666
O1 Sn2 Sn3 100.17(7) . 2_666
O3 Sn2 Sn3 40.33(6) 2_666 2_666
C51 Sn2 Sn3 137.46(11) . 2_666
O5 Sn2 Sn3 123.64(7) . 2_666
O9 Sn2 Sn3 77.50(7) 2_666 2_666
Sn1 Sn2 Sn3 73.491(19) . 2_666
O2 Sn3 O1 105.19(9) 2_666 .
O2 Sn3 O3 78.13(9) 2_666 .
O1 Sn3 O3 78.16(9) . .
O2 Sn3 C61 100.09(14) 2_666 .
O1 Sn3 C61 98.68(14) . .
O3 Sn3 C61 175.72(13) . .
O2 Sn3 O8 86.48(10) 2_666 .
O1 Sn3 O8 159.30(9) . .
O3 Sn3 O8 87.86(10) . .
C61 Sn3 O8 95.93(14) . .
O2 Sn3 O7 161.17(10) 2_666 .
O1 Sn3 O7 85.30(9) . .
O3 Sn3 O7 89.07(10) . .
C61 Sn3 O7 93.56(14) . .
O8 Sn3 O7 79.21(10) . .
O2 Sn3 Sn2 39.53(6) 2_666 2_666
O1 Sn3 Sn2 101.18(7) . 2_666
O3 Sn3 Sn2 40.54(7) . 2_666
C61 Sn3 Sn2 138.58(13) . 2_666
O8 Sn3 Sn2 76.78(8) . 2_666
O7 Sn3 Sn2 123.89(8) . 2_666
O2 Sn3 Sn1 100.66(7) 2_666 .
O1 Sn3 Sn1 39.96(6) . .
O3 Sn3 Sn1 40.01(7) . .
C61 Sn3 Sn1 137.54(13) . .
O8 Sn3 Sn1 121.93(7) . .
O7 Sn3 Sn1 77.15(7) . .
Sn2 Sn3 Sn1 74.19(2) 2_666 .
Sn3 O1 Sn2 131.85(12) . .
Sn3 O1 Sn1 100.30(10) . .
Sn2 O1 Sn1 99.85(9) . .
Sn2 O2 Sn3 100.85(10) . 2_666
Sn2 O2 Sn1 100.31(10) . .
Sn3 O2 Sn1 133.28(12) 2_666 .
Sn1 O3 Sn3 99.87(10) . .
Sn1 O3 Sn2 133.90(11) . 2_666
Sn3 O3 Sn2 99.12(10) . 2_666
C10 O4 Sn1 130.1(2) . .
C10 O5 Sn2 130.8(2) . .
C20 O6 Sn1 129.8(2) . .
C20 O7 Sn3 130.5(2) . .
C30 O8 Sn3 130.1(2) . .
C30 O9 Sn2 128.6(2) . 2_666
O4 C10 O5 124.3(4) . .
O4 C10 C11 118.3(3) . .
O5 C10 C11 117.4(3) . .
C16 C11 C12 117.1(4) . .
C16 C11 C10 121.3(4) . .
C12 C11 C10 121.6(3) . .
C13 C12 C11 121.5(4) . .
C12 C13 C14 120.6(4) . .
N1 C14 C15 120.9(4) . .
N1 C14 C13 120.8(4) . .
C15 C14 C13 118.3(4) . .
C16 C15 C14 120.2(4) . .
C15 C16 C11 122.2(4) . .
O6 C20 O7 124.1(3) . .
O6 C20 C21 118.8(3) . .
O7 C20 C21 117.1(3) . .
C26 C21 C22 118.3(4) . .
C26 C21 C20 121.3(3) . .
C22 C21 C20 120.3(4) . .
C23 C22 C21 120.9(4) . .
C22 C23 C24 120.6(4) . .
C23 C24 C25 118.6(4) . .
C23 C24 N2 120.4(4) . .
C25 C24 N2 121.0(4) . .
C26 C25 C24 120.8(4) . .
C25 C26 C21 120.7(4) . .
O8 C30 O9 124.4(3) . .
O8 C30 C31 117.7(3) . .
O9 C30 C31 117.9(4) . .
C32 C31 C36 118.3(3) . .
C32 C31 C30 120.6(4) . .
C36 C31 C30 121.0(3) . .
C33 C32 C31 121.2(4) . .
C32 C33 C34 120.7(4) . .
N3 C34 C33 120.8(4) . .
N3 C34 C35 121.3(4) . .
C33 C34 C35 117.9(4) . .
C36 C35 C34 120.9(4) . .
C35 C36 C31 121.1(4) . .
C42 C41 C42' 20.6(7) . .
C42 C41 Sn1 122.0(4) . .
C42' C41 Sn1 115.7(5) . .
C41 C42 C43 115.7(7) . .
C44 C43 C42 112.0(7) . .
C41 C42' C43' 117.7(8) . .
C44' C43' C42' 116.2(10) . .
C52 C51 Sn2 115.9(3) . .
C51 C52 C53 113.3(4) . .
C54 C53 C52 112.8(5) . .
C62' C61 C62 31.6(7) . .
C62' C61 Sn3 114.1(6) . .
C62 C61 Sn3 120.5(5) . .
C61 C62 C63 112.1(6) . .
C64 C63 C62 114.3(8) . .
C61 C62' C63' 114.5(9) . .
C64' C63' C62' 111.0(11) . .
N5 C71 C72 179.2(7) . .
N6 C73 C74 178.7(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sn1 O2 2.097(2) .
Sn1 O3 2.097(2) .
Sn1 O1 2.098(2) .
Sn1 C41 2.143(4) .
Sn1 O4 2.158(3) .
Sn1 O6 2.176(2) .
Sn1 Sn2 3.2059(8) .
Sn1 Sn3 3.2139(7) .
Sn2 O2 2.078(2) .
Sn2 O1 2.091(2) .
Sn2 O3 2.111(2) 2_666
Sn2 C51 2.137(4) .
Sn2 O5 2.154(3) .
Sn2 O9 2.162(2) 2_666
Sn2 Sn3 3.2064(11) 2_666
Sn3 O2 2.082(2) 2_666
Sn3 O1 2.088(2) .
Sn3 O3 2.102(2) .
Sn3 C61 2.134(4) .
Sn3 O8 2.158(2) .
Sn3 O7 2.161(2) .
Sn3 Sn2 3.2064(10) 2_666
O2 Sn3 2.082(2) 2_666
O3 Sn2 2.111(2) 2_666
O4 C10 1.258(5) .
O5 C10 1.277(4) .
O6 C20 1.265(4) .
O7 C20 1.281(4) .
O8 C30 1.266(5) .
O9 C30 1.271(5) .
O9 Sn2 2.162(2) 2_666
N1 C14 1.363(6) .
N2 C24 1.396(5) .
N3 C34 1.370(5) .
C10 C11 1.471(6) .
C11 C16 1.396(5) .
C11 C12 1.398(6) .
C12 C13 1.368(6) .
C13 C14 1.404(6) .
C14 C15 1.397(6) .
C15 C16 1.367(6) .
C20 C21 1.470(5) .
C21 C26 1.387(6) .
C21 C22 1.395(5) .
C22 C23 1.380(6) .
C23 C24 1.389(6) .
C24 C25 1.390(6) .
C25 C26 1.384(6) .
C30 C31 1.473(5) .
C31 C32 1.386(6) .
C31 C36 1.389(6) .
C32 C33 1.386(6) .
C33 C34 1.395(6) .
C34 C35 1.401(6) .
C35 C36 1.377(5) .
C41 C42 1.464(7) .
C41 C42' 1.498(8) .
C42 C43 1.513(8) .
C43 C44 1.475(9) .
C42' C43' 1.514(8) .
C43' C44' 1.471(9) .
C51 C52 1.506(6) .
C52 C53 1.537(6) .
C53 C54 1.467(7) .
C61 C62' 1.478(8) .
C61 C62 1.504(7) .
C62 C63 1.523(8) .
C63 C64 1.463(8) .
C62' C63' 1.506(9) .
C63' C64' 1.459(10) .
N5 C71 1.125(7) .
C71 C72 1.454(8) .
N6 C73 1.116(8) .
C73 C74 1.430(9) .
