#------------------------------------------------------------------------------
#$Date: 2021-07-13 12:29:42 +0300 (Tue, 13 Jul 2021) $
#$Revision: 267498 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/41/1564126.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_1564126
loop_
_publ_author_name
'Basu Baul, Tushar S.'
'Addepalli, Maheswara Rao'
'Lyčka, Antonin'
'van Terwingen, Steven'
'Fátima C. Guedes da Silva, M.'
_publ_section_title
;
 Synthesis and structural characterization of diorganotin(IV) complexes
 with heteroditopic pyridyl-ONO′-ligands
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119892
_journal_paper_doi               10.1016/j.ica.2020.119892
_journal_volume                  512
_journal_year                    2020
_chemical_formula_moiety         'C36 H44 N8 O4 Sn2, 2(C16 H18 N4 O2)'
_chemical_formula_sum            'C68 H80 N16 O8 Sn2'
_chemical_formula_weight         1486.86
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                103.914(5)
_cell_angle_beta                 92.098(6)
_cell_angle_gamma                92.520(5)
_cell_formula_units_Z            1
_cell_length_a                   7.6518(4)
_cell_length_b                   11.7797(7)
_cell_length_c                   19.1615(12)
_cell_measurement_reflns_used    2887
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.4470
_cell_measurement_theta_min      3.9750
_cell_volume                     1672.86(17)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.845
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0628
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.845
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            11670
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.845
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.045
_diffrn_reflns_theta_min         3.128
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.815
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_description       plate
_exptl_crystal_F_000             764
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_refine_diff_density_max         1.022
_refine_diff_density_min         -0.482
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         7560
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0491
_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)+(0.0517P)²+0.8256P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1202
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5884
_reflns_number_total             7560
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            Compound4.cif
_cod_data_source_block           Compound4
_cod_database_code               1564126
_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.
;
_shelx_estimated_absorpt_t_min   0.909
_shelx_estimated_absorpt_t_max   0.930
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4576(6) 0.6557(4) 0.9231(2) 0.0458(10) Uani 1 1 d . . . . .
H1A H 0.575494 0.666219 0.907888 0.055 Uiso 1 1 calc R U . A 2
H1B H 0.422315 0.730742 0.950652 0.055 Uiso 1 1 calc R U . A 2
C2 C 0.3334(6) 0.6112(4) 0.8577(2) 0.0460(10) Uani 1 1 d . . . . .
H2 H 0.356938 0.657310 0.822422 0.055 Uiso 1 1 calc R U . B 2
C3 C 0.3998(5) 0.4554(3) 0.7597(2) 0.0419(9) Uani 1 1 d . . . . .
H3 H 0.389735 0.511567 0.733199 0.050 Uiso 1 1 calc R U . C 2
C4 C 0.4399(5) 0.3417(3) 0.7203(2) 0.0389(8) Uani 1 1 d . . . . .
C5 C 0.4853(5) 0.3300(3) 0.6491(2) 0.0406(9) Uani 1 1 d . . . . .
H5 H 0.491478 0.396134 0.630631 0.049 Uiso 1 1 calc R U . . .
C6 C 0.5212(5) 0.2241(4) 0.6056(2) 0.0426(9) Uani 1 1 d . . . . .
C7 C 0.5029(6) 0.1247(4) 0.6324(2) 0.0469(10) Uani 1 1 d . . . . .
H7 H 0.524422 0.051971 0.602980 0.056 Uiso 1 1 calc R U . . .
C8 C 0.4540(5) 0.1319(4) 0.7007(2) 0.0469(10) Uani 1 1 d . . . . .
H8 H 0.438783 0.063473 0.716424 0.056 Uiso 1 1 calc R U . . .
C9 C 0.4259(5) 0.2400(3) 0.7483(2) 0.0414(9) Uani 1 1 d . . . . .
C10 C 0.6566(5) 0.2755(4) 0.4418(2) 0.0406(9) Uani 1 1 d . . . . .
C11 C 0.7220(5) 0.1718(4) 0.4048(2) 0.0497(10) Uani 1 1 d . . . . .
H11 H 0.725293 0.107721 0.425147 0.060 Uiso 1 1 calc R U . . .
C12 C 0.7816(6) 0.1655(4) 0.3379(2) 0.0555(11) Uani 1 1 d . . . . .
H12 H 0.826856 0.097083 0.311648 0.067 Uiso 1 1 calc R U . . .
C13 C 0.7736(6) 0.2607(5) 0.3105(2) 0.0618(13) Uani 1 1 d . . . . .
H13 H 0.814475 0.254945 0.264703 0.074 Uiso 1 1 calc R U . D 2
C14 C 0.6551(6) 0.3671(4) 0.4091(2) 0.0533(11) Uani 1 1 d . . . . .
H14 H 0.611650 0.436951 0.434191 0.064 Uiso 1 1 calc R U . E 2
C15 C 0.1399(6) 0.6133(4) 0.8724(3) 0.0639(13) Uani 1 1 d . . . . .
H15A H 0.073229 0.575204 0.828370 0.077 Uiso 1 1 calc R U . . .
H15B H 0.117160 0.568005 0.907578 0.077 Uiso 1 1 calc R U . . .
C16 C 0.0761(8) 0.7326(5) 0.8995(3) 0.0828(17) Uani 1 1 d . . . . .
H16A H -0.046749 0.726708 0.907567 0.124 Uiso 1 1 calc R U . . .
H16B H 0.138854 0.770396 0.943903 0.124 Uiso 1 1 calc R U . . .
H16C H 0.094862 0.777605 0.864585 0.124 Uiso 1 1 calc R U . . .
C17 C 0.2083(6) 0.3374(5) 0.9464(3) 0.0604(12) Uani 1 1 d . . . . .
H17A H 0.187780 0.255297 0.924808 0.091 Uiso 1 1 calc R U . F 2
H17B H 0.215507 0.350134 0.997856 0.091 Uiso 1 1 calc R U . F 2
H17C H 0.113590 0.379419 0.932456 0.091 Uiso 1 1 calc R U . F 2
C18 C 0.7091(6) 0.3686(5) 0.8923(2) 0.0573(12) Uani 1 1 d . . . . .
H18A H 0.720020 0.288492 0.866988 0.086 Uiso 1 1 calc R U . G 2
H18B H 0.752408 0.419392 0.863682 0.086 Uiso 1 1 calc R U . G 2
H18C H 0.775804 0.384456 0.937285 0.086 Uiso 1 1 calc R U . G 2
C19 C 0.2400(11) -0.0122(6) 0.0832(3) 0.102(2) Uani 1 1 d . . . . .
H19A H 0.276367 -0.076550 0.045665 0.123 Uiso 1 1 calc R U . H 2
H19B H 0.244548 0.058043 0.065221 0.123 Uiso 1 1 calc R U . H 2
C20 C 0.3591(7) 0.0044(4) 0.1469(3) 0.0605(12) Uani 1 1 d D . . . .
H20 H 0.340396 -0.061280 0.169394 0.073 Uiso 1 1 calc R U . I 2
C21 C 0.2838(5) 0.1107(4) 0.2612(2) 0.0450(9) Uani 1 1 d . . . . .
H21 H 0.274592 0.038865 0.273293 0.054 Uiso 1 1 calc R U . J 2
C22 C 0.2485(5) 0.2152(3) 0.3146(2) 0.0401(9) Uani 1 1 d . . . . .
C23 C 0.2044(5) 0.2090(4) 0.3832(2) 0.0424(9) Uani 1 1 d . . . . .
H23 H 0.201618 0.136940 0.395124 0.051 Uiso 1 1 calc R U . . .
C24 C 0.1649(5) 0.3074(4) 0.4340(2) 0.0422(9) Uani 1 1 d . . . . .
C25 C 0.1693(6) 0.4152(4) 0.4163(2) 0.0489(10) Uani 1 1 d . . . . .
H25 H 0.141846 0.481981 0.450211 0.059 Uiso 1 1 calc R U . . .
C26 C 0.2142(6) 0.4234(4) 0.3489(2) 0.0508(10) Uani 1 1 d . . . . .
H26 H 0.217422 0.495897 0.337606 0.061 Uiso 1 1 calc R U . . .
C27 C 0.2544(5) 0.3252(4) 0.2978(2) 0.0441(9) Uani 1 1 d . . . . .
C28 C 0.0415(5) 0.2145(4) 0.5881(2) 0.0423(9) Uani 1 1 d . . . . .
C29 C 0.0294(6) 0.3148(4) 0.6418(2) 0.0504(10) Uani 1 1 d . . . . .
H29 H 0.054945 0.388380 0.633776 0.060 Uiso 1 1 calc R U . . .
C30 C -0.0216(6) 0.3026(4) 0.7074(2) 0.0594(12) Uani 1 1 d . . . . .
H30 H -0.031818 0.368373 0.744916 0.071 Uiso 1 1 calc R U . . .
C31 C -0.0572(6) 0.1937(4) 0.7174(3) 0.0593(12) Uani 1 1 d . . . . .
H31 H -0.091070 0.187738 0.762509 0.071 Uiso 1 1 calc R U . K 2
C32 C 0.0032(6) 0.1074(4) 0.6035(3) 0.0577(12) Uani 1 1 d . . . . .
H32 H 0.013004 0.039861 0.567193 0.069 Uiso 1 1 calc R U . L 2
C33 C 0.5570(8) 0.0117(5) 0.1259(4) 0.0799(17) Uani 1 1 d D . . . .
H3A H 0.567397 -0.042377 0.079515 0.096 Uiso 0.377(10) 1 calc R U P M 1
H3B H 0.583533 0.089922 0.119833 0.096 Uiso 0.377(10) 1 calc R U P M 1
H3C H 0.568700 0.061710 0.092695 0.096 Uiso 0.623(10) 1 calc R U P M 2
H3D H 0.630151 0.046624 0.168826 0.096 Uiso 0.623(10) 1 calc R U P M 2
O4A O 0.6750(13) -0.0103(10) 0.1697(6) 0.080(4) Uani 0.377(10) 1 d . . P M 1
H4A H 0.657560 -0.077268 0.174204 0.119 Uiso 0.377(10) 1 calc R U P M 1
O4B O 0.6114(9) -0.0930(6) 0.0959(4) 0.091(3) Uani 0.623(10) 1 d . . P M 2
H4B H 0.603309 -0.135079 0.124223 0.136 Uiso 0.623(10) 1 calc R U P M 2
N1 N 0.3759(4) 0.4898(3) 0.82713(18) 0.0402(7) Uani 1 1 d . . . N 2
N2 N 0.5765(4) 0.2062(3) 0.53460(18) 0.0455(8) Uani 1 1 d . . . O 2
N3 N 0.5946(4) 0.2967(3) 0.51272(18) 0.0467(8) Uani 1 1 d . . . O 2
N4 N 0.7115(6) 0.3622(4) 0.3442(2) 0.0646(11) Uani 1 1 d . . . P 2
N5 N 0.3270(5) 0.1131(3) 0.19838(18) 0.0487(8) Uani 1 1 d . . . Q 2
N6 N 0.1142(4) 0.3085(3) 0.50455(18) 0.0458(8) Uani 1 1 d . . . R 2
N7 N 0.0922(5) 0.2100(3) 0.51664(18) 0.0473(8) Uani 1 1 d . . . R 2
N8 N -0.0467(6) 0.0959(4) 0.6671(2) 0.0650(11) Uani 1 1 d . . . S 2
O1 O 0.4541(4) 0.5741(2) 0.96589(14) 0.0439(6) Uani 1 1 d . . . N 2
O2 O 0.3812(4) 0.2455(2) 0.81350(15) 0.0494(7) Uani 1 1 d . . . N 2
O3 O 0.2953(5) 0.3363(3) 0.23245(17) 0.0603(8) Uani 1 1 d . . . T 2
H3O H 0.287386 0.271771 0.204043 0.090 Uiso 1 1 calc R U . T 2
C35 C 0.0557(9) -0.0382(6) 0.1021(4) 0.114(3) Uani 1 1 d . . . U 2
H35A H 0.050137 -0.110377 0.117102 0.171 Uiso 1 1 calc R U . U 2
H35B H -0.022227 -0.045164 0.060700 0.171 Uiso 1 1 calc R U . U 2
H35C H 0.021669 0.024207 0.140531 0.171 Uiso 1 1 calc R U . U 2
Sn1 Sn 0.44510(3) 0.39778(2) 0.91153(2) 0.03930(10) Uani 1 1 d . . . N 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 0.0000 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
O1 C1 C2 109.1(3) . .
O1 C1 H1A 109.9 . .
C2 C1 H1A 109.9 . .
O1 C1 H1B 109.9 . .
C2 C1 H1B 109.9 . .
H1A C1 H1B 108.3 . .
N1 C2 C1 106.0(3) . .
N1 C2 C15 108.6(4) . .
C1 C2 C15 115.5(4) . .
N1 C2 H2 108.9 . .
C1 C2 H2 108.9 . .
C15 C2 H2 108.9 . .
N1 C3 C4 128.0(3) . .
N1 C3 H3 116.0 . .
C4 C3 H3 116.0 . .
C5 C4 C3 117.1(3) . .
C5 C4 C9 119.2(4) . .
C3 C4 C9 123.5(4) . .
C6 C5 C4 122.0(4) . .
C6 C5 H5 119.0 . .
C4 C5 H5 119.0 . .
C5 C6 C7 118.6(4) . .
C5 C6 N2 125.3(4) . .
C7 C6 N2 116.1(4) . .
C8 C7 C6 121.2(4) . .
C8 C7 H7 119.4 . .
C6 C7 H7 119.4 . .
C7 C8 C9 121.8(4) . .
C7 C8 H8 119.1 . .
C9 C8 H8 119.1 . .
O2 C9 C8 121.1(4) . .
O2 C9 C4 121.8(4) . .
C8 C9 C4 117.0(4) . .
C14 C10 C11 118.1(4) . .
C14 C10 N3 116.7(4) . .
C11 C10 N3 125.1(4) . .
C12 C11 C10 118.5(4) . .
C12 C11 H11 120.7 . .
C10 C11 H11 120.7 . .
C13 C12 C11 118.6(5) . .
C13 C12 H12 120.7 . .
C11 C12 H12 120.7 . .
N4 C13 C12 124.8(4) . .
N4 C13 H13 117.6 . .
C12 C13 H13 117.6 . .
N4 C14 C10 124.1(4) . .
N4 C14 H14 117.9 . .
C10 C14 H14 117.9 . .
C16 C15 C2 114.4(5) . .
C16 C15 H15A 108.7 . .
C2 C15 H15A 108.7 . .
C16 C15 H15B 108.7 . .
C2 C15 H15B 108.7 . .
H15A C15 H15B 107.6 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
Sn1 C17 H17A 109.5 . .
Sn1 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Sn1 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Sn1 C18 H18A 109.5 . .
Sn1 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Sn1 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C20 C19 C35 110.1(6) . .
C20 C19 H19A 109.7 . .
C35 C19 H19A 109.7 . .
C20 C19 H19B 109.7 . .
C35 C19 H19B 109.7 . .
H19A C19 H19B 108.2 . .
N5 C20 C19 110.3(4) . .
N5 C20 C33 107.6(4) . .
C19 C20 C33 111.0(5) . .
N5 C20 H20 109.3 . .
C19 C20 H20 109.3 . .
C33 C20 H20 109.3 . .
N5 C21 C22 122.4(4) . .
N5 C21 H21 118.8 . .
C22 C21 H21 118.8 . .
C23 C22 C27 118.7(4) . .
C23 C22 C21 120.6(4) . .
C27 C22 C21 120.7(4) . .
C24 C23 C22 121.3(4) . .
C24 C23 H23 119.4 . .
C22 C23 H23 119.4 . .
C23 C24 C25 119.4(4) . .
C23 C24 N6 125.0(4) . .
C25 C24 N6 115.6(4) . .
C26 C25 C24 120.3(4) . .
C26 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
C25 C26 C27 120.7(4) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
O3 C27 C26 119.0(4) . .
O3 C27 C22 121.3(4) . .
C26 C27 C22 119.7(4) . .
C29 C28 C32 118.5(4) . .
C29 C28 N7 125.7(4) . .
C32 C28 N7 115.8(4) . .
C30 C29 C28 117.8(4) . .
C30 C29 H29 121.1 . .
C28 C29 H29 121.1 . .
C31 C30 C29 119.5(4) . .
C31 C30 H30 120.2 . .
C29 C30 H30 120.2 . .
N8 C31 C30 124.2(4) . .
N8 C31 H31 117.9 . .
C30 C31 H31 117.9 . .
N8 C32 C28 123.6(4) . .
N8 C32 H32 118.2 . .
C28 C32 H32 118.2 . .
O4A C33 C20 117.7(6) . .
O4B C33 C20 111.5(6) . .
O4A C33 H3A 107.9 . .
C20 C33 H3A 107.9 . .
O4A C33 H3B 107.9 . .
C20 C33 H3B 107.9 . .
H3A C33 H3B 107.2 . .
O4B C33 H3C 109.3 . .
C20 C33 H3C 109.3 . .
O4B C33 H3D 109.3 . .
C20 C33 H3D 109.3 . .
H3C C33 H3D 108.0 . .
C33 O4A H4A 109.5 . .
C33 O4B H4B 109.5 . .
C3 N1 C2 119.8(3) . .
C3 N1 Sn1 126.8(3) . .
C2 N1 Sn1 112.1(2) . .
N3 N2 C6 114.6(4) . .
N2 N3 C10 112.8(3) . .
C14 N4 C13 115.8(4) . .
C21 N5 C20 119.6(4) . .
N7 N6 C24 114.5(3) . .
N6 N7 C28 113.0(3) . .
C31 N8 C32 116.4(4) . .
C1 O1 Sn1 116.5(2) . .
C1 O1 Sn1 128.3(2) . 2_667
Sn1 O1 Sn1 111.54(11) . 2_667
C9 O2 Sn1 126.4(3) . .
C27 O3 H3O 109.5 . .
C19 C35 H35A 109.5 . .
C19 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C19 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O1 Sn1 C18 102.56(17) . .
O1 Sn1 C17 100.83(16) . .
C18 Sn1 C17 147.2(2) . .
O1 Sn1 N1 75.75(11) . .
C18 Sn1 N1 100.87(15) . .
C17 Sn1 N1 107.04(16) . .
O1 Sn1 O2 153.31(10) . .
C18 Sn1 O2 86.49(16) . .
C17 Sn1 O2 82.82(16) . .
N1 Sn1 O2 77.91(11) . .
C18 Sn1 O1 82.88(14) . 2_667
C17 Sn1 O1 84.62(15) . 2_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.406(4) .
C1 C2 1.517(6) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 N1 1.464(5) .
C2 C15 1.518(6) .
C2 H2 0.9800 .
C3 N1 1.281(5) .
C3 C4 1.422(6) .
C3 H3 0.9300 .
C4 C5 1.396(5) .
C4 C9 1.429(5) .
C5 C6 1.368(6) .
C5 H5 0.9300 .
C6 C7 1.391(6) .
C6 N2 1.409(5) .
C7 C8 1.359(6) .
C7 H7 0.9300 .
C8 C9 1.407(6) .
C8 H8 0.9300 .
C9 O2 1.294(5) .
C10 C14 1.372(6) .
C10 C11 1.381(6) .
C10 N3 1.424(5) .
C11 C12 1.363(6) .
C11 H11 0.9300 .
C12 C13 1.350(7) .
C12 H12 0.9300 .
C13 N4 1.332(6) .
C13 H13 0.9300 .
C14 N4 1.320(6) .
C14 H14 0.9300 .
C15 C16 1.487(7) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 Sn1 2.107(4) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 Sn1 2.095(4) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 C20 1.464(8) .
C19 C35 1.506(10) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 N5 1.453(6) .
C20 C33 1.585(7) .
C20 H20 0.9800 .
C21 N5 1.266(5) .
C21 C22 1.443(6) .
C21 H21 0.9300 .
C22 C23 1.386(5) .
C22 C27 1.408(6) .
C23 C24 1.375(5) .
C23 H23 0.9300 .
C24 C25 1.391(6) .
C24 N6 1.417(5) .
C25 C26 1.372(6) .
C25 H25 0.9300 .
C26 C27 1.379(6) .
C26 H26 0.9300 .
C27 O3 1.337(5) .
C28 C29 1.377(6) .
C28 C32 1.384(6) .
C28 N7 1.425(5) .
C29 C30 1.367(6) .
C29 H29 0.9300 .
C30 C31 1.359(7) .
C30 H30 0.9300 .
C31 N8 1.320(6) .
C31 H31 0.9300 .
C32 N8 1.326(6) .
C32 H32 0.9300 .
C33 O4A 1.286(12) .
C33 O4B 1.322(8) .
C33 H3A 0.9700 .
C33 H3B 0.9700 .
C33 H3C 0.9700 .
C33 H3D 0.9700 .
O4A H4A 0.8200 .
O4B H4B 0.8200 .
N1 Sn1 2.214(3) .
N2 N3 1.240(5) .
N6 N7 1.243(5) .
O1 Sn1 2.084(3) .
O1 Sn1 2.386(3) 2_667
O2 Sn1 2.285(3) .
O3 H3O 0.8200 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
