#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/38/2223851.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_2223851
loop_
_publ_author_name
'Li, Jing'
'Yin, Handong'
'Wen, Liyuan'
'Cui, Jichun'
_publ_section_title
;
 [2-Oxido-1-naphthaldehyde
 (2-hydroxybenzoyl)hydrazonato]diphenyltin(IV)
;
_journal_coeditor_code           HY2239
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1441
_journal_paper_doi               10.1107/S1600536809043591
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Sn (C6 H5)2 (C18 H12 N2 O3)]'
_chemical_formula_moiety         'C30 H22 N2 O3 Sn'
_chemical_formula_sum            'C30 H22 N2 O3 Sn'
_chemical_formula_weight         577.19
_chemical_name_systematic
;
[2-Oxido-1-naphthaldehyde (2-hydroxybenzoyl)hydrazonato]diphenyltin(IV)
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 109.547(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4180(10)
_cell_length_b                   11.0861(12)
_cell_length_c                   25.668(2)
_cell_measurement_reflns_used    4435
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.544
_cell_measurement_theta_min      2.525
_cell_volume                     2525.5(4)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Siemens SMART 1000 CCD'
_diffrn_measurement_method       'φ and ω'
_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  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            12414
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.046
_exptl_absorpt_correction_T_max  0.8180
_exptl_absorpt_correction_T_min  0.6618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.425
_refine_diff_density_min         -0.326
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4435
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0238P)²+1.7663P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0638
_refine_ls_wR_factor_ref         0.0733
_reflns_number_gt                3263
_reflns_number_total             4435
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            hy2239.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (5
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2223851
_cod_database_fobs_code          2223851
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_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 0.89811(3) 0.74107(2) 0.920886(10) 0.04851(10) Uani d . 1 . .
N N1 0.8396(4) 0.4718(2) 0.91811(11) 0.0465(8) Uani d . 1 . .
N N2 0.8343(3) 0.5736(2) 0.94938(11) 0.0434(7) Uani d . 1 . .
O O1 0.9135(3) 0.6067(2) 0.86422(10) 0.0647(8) Uani d . 1 . .
O O2 0.7809(4) 0.2520(2) 0.88057(12) 0.0834(10) Uani d . 1 . .
H H2 0.7848 0.3089 0.9015 0.125 Uiso calc R 1 . .
O O3 0.8815(3) 0.8048(2) 0.99407(10) 0.0589(7) Uani d . 1 . .
C C1 0.8817(4) 0.4984(3) 0.87560(14) 0.0459(9) Uani d . 1 . .
C C2 0.8935(4) 0.4009(3) 0.83892(14) 0.0493(9) Uani d . 1 . .
C C3 0.8422(5) 0.2849(3) 0.84222(15) 0.0576(11) Uani d . 1 . .
C C4 0.8529(6) 0.1978(4) 0.80504(18) 0.0794(14) Uani d . 1 . .
H H4 0.8193 0.1198 0.8075 0.095 Uiso calc R 1 . .
C C5 0.9126(7) 0.2261(5) 0.7647(2) 0.0918(17) Uani d . 1 . .
H H5 0.9166 0.1676 0.7392 0.110 Uiso calc R 1 . .
C C6 0.9665(7) 0.3391(5) 0.7614(2) 0.1001(19) Uani d . 1 . .
H H6 1.0100 0.3573 0.7347 0.120 Uiso calc R 1 . .
C C7 0.9554(6) 0.4251(4) 0.79798(17) 0.0753(14) Uani d . 1 . .
H H7 0.9905 0.5025 0.7954 0.090 Uiso calc R 1 . .
C C8 0.7840(4) 0.5562(3) 0.99031(14) 0.0449(9) Uani d . 1 . .
H H8 0.7550 0.4779 0.9950 0.054 Uiso calc R 1 . .
C C9 0.7683(4) 0.6439(3) 1.02883(13) 0.0428(9) Uani d . 1 . .
C C10 0.8202(4) 0.7625(3) 1.02946(14) 0.0482(9) Uani d . 1 . .
C C11 0.8110(5) 0.8440(3) 1.07056(15) 0.0557(10) Uani d . 1 . .
H H11 0.8460 0.9225 1.0708 0.067 Uiso calc R 1 . .
C C12 0.7523(5) 0.8097(4) 1.10938(16) 0.0609(11) Uani d . 1 . .
H H12 0.7496 0.8648 1.1364 0.073 Uiso calc R 1 . .
C C13 0.6946(5) 0.6924(4) 1.11023(16) 0.0561(11) Uani d . 1 . .
C C14 0.7010(4) 0.6071(3) 1.07003(15) 0.0507(10) Uani d . 1 . .
C C15 0.6398(5) 0.4933(4) 1.07211(17) 0.0640(12) Uani d . 1 . .
H H15 0.6401 0.4363 1.0455 0.077 Uiso calc R 1 . .
C C16 0.5797(6) 0.4627(4) 1.1119(2) 0.0826(15) Uani d . 1 . .
H H16 0.5410 0.3856 1.1122 0.099 Uiso calc R 1 . .
C C17 0.5756(6) 0.5453(5) 1.1519(2) 0.0878(16) Uani d . 1 . .
H H17 0.5346 0.5242 1.1790 0.105 Uiso calc R 1 . .
C C18 0.6327(6) 0.6582(4) 1.15106(18) 0.0751(14) Uani d . 1 . .
H H18 0.6308 0.7137 1.1780 0.090 Uiso calc R 1 . .
C C19 1.1244(4) 0.7942(3) 0.93967(14) 0.0444(9) Uani d . 1 . .
C C20 1.2167(5) 0.8207(3) 0.99286(15) 0.0572(11) Uani d . 1 . .
H H20 1.1779 0.8179 1.0217 0.069 Uiso calc R 1 . .
C C21 1.3657(5) 0.8514(4) 1.0035(2) 0.0748(13) Uani d . 1 . .
H H21 1.4275 0.8661 1.0396 0.090 Uiso calc R 1 . .
C C22 1.4234(6) 0.8602(4) 0.9612(2) 0.0763(13) Uani d . 1 . .
H H22 1.5236 0.8821 0.9686 0.092 Uiso calc R 1 . .
C C23 1.3339(6) 0.8371(4) 0.9084(2) 0.0707(13) Uani d . 1 . .
H H23 1.3723 0.8445 0.8796 0.085 Uiso calc R 1 . .
C C24 1.1862(5) 0.8026(3) 0.89768(16) 0.0585(11) Uani d . 1 . .
H H24 1.1268 0.7846 0.8616 0.070 Uiso calc R 1 . .
C C25 0.7141(4) 0.8331(3) 0.86445(15) 0.0508(10) Uani d . 1 . .
C C26 0.6817(5) 0.9491(4) 0.87485(19) 0.0700(12) Uani d . 1 . .
H H26 0.7412 0.9868 0.9071 0.084 Uiso calc R 1 . .
C C27 0.5624(6) 1.0113(5) 0.8384(2) 0.0913(16) Uani d . 1 . .
H H27 0.5436 1.0907 0.8459 0.110 Uiso calc R 1 . .
C C28 0.4723(6) 0.9565(7) 0.7916(2) 0.0969(19) Uani d . 1 . .
H H28 0.3911 0.9980 0.7674 0.116 Uiso calc R 1 . .
C C29 0.5006(6) 0.8424(7) 0.7803(2) 0.0976(18) Uani d . 1 . .
H H29 0.4386 0.8050 0.7484 0.117 Uiso calc R 1 . .
C C30 0.6228(5) 0.7797(4) 0.81640(18) 0.0751(13) Uani d . 1 . .
H H30 0.6427 0.7013 0.8079 0.090 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'
O O 0.0106 0.0060 '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'
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
O3 Sn1 C19 . . 94.31(12) ?
O3 Sn1 C25 . . 99.45(13) ?
C19 Sn1 C25 . . 123.88(13) ?
O3 Sn1 O1 . . 155.42(10) ?
C19 Sn1 O1 . . 93.27(12) ?
C25 Sn1 O1 . . 95.61(13) ?
O3 Sn1 N2 . . 82.61(10) ?
C19 Sn1 N2 . . 122.65(12) ?
C25 Sn1 N2 . . 113.00(13) ?
O1 Sn1 N2 . . 73.63(10) ?
C1 N1 N2 . . 112.1(3) ?
C8 N2 N1 . . 115.9(3) ?
C8 N2 Sn1 . . 128.2(2) ?
N1 N2 Sn1 . . 115.7(2) ?
C1 O1 Sn1 . . 115.0(2) ?
C3 O2 H2 . . 109.5 ?
C10 O3 Sn1 . . 133.8(2) ?
O1 C1 N1 . . 123.6(3) ?
O1 C1 C2 . . 117.9(3) ?
N1 C1 C2 . . 118.6(3) ?
C3 C2 C7 . . 118.0(3) ?
C3 C2 C1 . . 122.9(3) ?
C7 C2 C1 . . 119.1(4) ?
O2 C3 C4 . . 117.6(4) ?
O2 C3 C2 . . 122.6(3) ?
C4 C3 C2 . . 119.9(4) ?
C5 C4 C3 . . 120.2(5) ?
C5 C4 H4 . . 119.9 ?
C3 C4 H4 . . 119.9 ?
C6 C5 C4 . . 120.8(4) ?
C6 C5 H5 . . 119.6 ?
C4 C5 H5 . . 119.6 ?
C5 C6 C7 . . 118.9(5) ?
C5 C6 H6 . . 120.5 ?
C7 C6 H6 . . 120.5 ?
C6 C7 C2 . . 122.2(5) ?
C6 C7 H7 . . 118.9 ?
C2 C7 H7 . . 118.9 ?
N2 C8 C9 . . 127.4(3) ?
N2 C8 H8 . . 116.3 ?
C9 C8 H8 . . 116.3 ?
C10 C9 C8 . . 122.0(3) ?
C10 C9 C14 . . 119.2(3) ?
C8 C9 C14 . . 118.8(3) ?
O3 C10 C9 . . 124.0(3) ?
O3 C10 C11 . . 115.9(3) ?
C9 C10 C11 . . 120.0(3) ?
C12 C11 C10 . . 121.0(4) ?
C12 C11 H11 . . 119.5 ?
C10 C11 H11 . . 119.5 ?
C11 C12 C13 . . 121.8(4) ?
C11 C12 H12 . . 119.1 ?
C13 C12 H12 . . 119.1 ?
C18 C13 C12 . . 121.0(4) ?
C18 C13 C14 . . 119.4(4) ?
C12 C13 C14 . . 119.6(3) ?
C15 C14 C13 . . 117.2(3) ?
C15 C14 C9 . . 124.3(3) ?
C13 C14 C9 . . 118.4(3) ?
C16 C15 C14 . . 122.2(4) ?
C16 C15 H15 . . 118.9 ?
C14 C15 H15 . . 118.9 ?
C15 C16 C17 . . 120.7(4) ?
C15 C16 H16 . . 119.6 ?
C17 C16 H16 . . 119.6 ?
C18 C17 C16 . . 119.0(4) ?
C18 C17 H17 . . 120.5 ?
C16 C17 H17 . . 120.5 ?
C17 C18 C13 . . 121.4(4) ?
C17 C18 H18 . . 119.3 ?
C13 C18 H18 . . 119.3 ?
C20 C19 C24 . . 117.7(4) ?
C20 C19 Sn1 . . 122.6(3) ?
C24 C19 Sn1 . . 119.7(3) ?
C21 C20 C19 . . 120.6(4) ?
C21 C20 H20 . . 119.7 ?
C19 C20 H20 . . 119.7 ?
C22 C21 C20 . . 120.5(4) ?
C22 C21 H21 . . 119.8 ?
C20 C21 H21 . . 119.8 ?
C23 C22 C21 . . 119.9(5) ?
C23 C22 H22 . . 120.1 ?
C21 C22 H22 . . 120.1 ?
C22 C23 C24 . . 120.0(4) ?
C22 C23 H23 . . 120.0 ?
C24 C23 H23 . . 120.0 ?
C23 C24 C19 . . 121.3(4) ?
C23 C24 H24 . . 119.3 ?
C19 C24 H24 . . 119.3 ?
C26 C25 C30 . . 117.7(4) ?
C26 C25 Sn1 . . 120.3(3) ?
C30 C25 Sn1 . . 121.9(3) ?
C25 C26 C27 . . 121.4(5) ?
C25 C26 H26 . . 119.3 ?
C27 C26 H26 . . 119.3 ?
C28 C27 C26 . . 120.0(5) ?
C28 C27 H27 . . 120.0 ?
C26 C27 H27 . . 120.0 ?
C29 C28 C27 . . 120.1(5) ?
C29 C28 H28 . . 120.0 ?
C27 C28 H28 . . 120.0 ?
C28 C29 C30 . . 120.3(5) ?
C28 C29 H29 . . 119.9 ?
C30 C29 H29 . . 119.9 ?
C25 C30 C29 . . 120.5(5) ?
C25 C30 H30 . . 119.7 ?
C29 C30 H30 . . 119.7 ?
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 . 2.121(2) y
Sn1 O3 . 2.061(2) y
Sn1 N2 . 2.154(3) y
Sn1 C19 . 2.106(4) y
Sn1 C25 . 2.113(4) y
N1 C1 . 1.313(4) ?
N1 N2 . 1.395(4) ?
N2 C8 . 1.303(4) ?
O1 C1 . 1.294(4) ?
O2 C3 . 1.348(5) ?
O2 H2 . 0.8200 ?
O3 C10 . 1.315(4) ?
C1 C2 . 1.462(5) ?
C2 C3 . 1.386(5) ?
C2 C7 . 1.388(5) ?
C3 C4 . 1.384(5) ?
C4 C5 . 1.371(6) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.364(7) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.366(6) ?
C6 H6 . 0.9300 ?
C7 H7 . 0.9300 ?
C8 C9 . 1.429(5) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.401(5) ?
C9 C14 . 1.461(5) ?
C10 C11 . 1.414(5) ?
C11 C12 . 1.346(5) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.413(6) ?
C12 H12 . 0.9300 ?
C13 C18 . 1.411(5) ?
C13 C14 . 1.415(5) ?
C14 C15 . 1.396(5) ?
C15 C16 . 1.366(5) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.387(6) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.365(6) ?
C17 H17 . 0.9300 ?
C18 H18 . 0.9300 ?
C19 C20 . 1.383(5) ?
C19 C24 . 1.389(5) ?
C20 C21 . 1.380(6) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.370(6) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.359(6) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.378(6) ?
C23 H23 . 0.9300 ?
C24 H24 . 0.9300 ?
C25 C26 . 1.368(5) ?
C25 C30 . 1.379(5) ?
C26 C27 . 1.382(6) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.360(7) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.344(8) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.397(7) ?
C29 H29 . 0.9300 ?
C30 H30 . 0.9300 ?
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
_geom_hbond_publ_flag
O2 H2 N1 . 0.82 1.89 2.611(5) 146 y
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
C1 N1 N2 C8 . . . . 175.7(3) ?
C1 N1 N2 Sn1 . . . . -0.9(4) ?
O3 Sn1 N2 C8 . . . . 11.5(3) ?
C19 Sn1 N2 C8 . . . . 101.9(3) ?
C25 Sn1 N2 C8 . . . . -85.7(3) ?
O1 Sn1 N2 C8 . . . . -174.9(3) ?
O3 Sn1 N2 N1 . . . . -172.4(2) ?
C19 Sn1 N2 N1 . . . . -82.1(3) ?
C25 Sn1 N2 N1 . . . . 90.4(3) ?
O1 Sn1 N2 N1 . . . . 1.2(2) ?
O3 Sn1 O1 C1 . . . . 14.0(5) ?
C19 Sn1 O1 C1 . . . . 121.8(3) ?
C25 Sn1 O1 C1 . . . . -113.7(3) ?
N2 Sn1 O1 C1 . . . . -1.3(3) ?
C19 Sn1 O3 C10 . . . . -137.9(3) ?
C25 Sn1 O3 C10 . . . . 96.7(3) ?
O1 Sn1 O3 C10 . . . . -30.3(5) ?
N2 Sn1 O3 C10 . . . . -15.5(3) ?
Sn1 O1 C1 N1 . . . . 1.4(5) ?
Sn1 O1 C1 C2 . . . . -178.6(3) ?
N2 N1 C1 O1 . . . . -0.3(5) ?
N2 N1 C1 C2 . . . . 179.7(3) ?
O1 C1 C2 C3 . . . . -170.6(4) ?
N1 C1 C2 C3 . . . . 9.4(6) ?
O1 C1 C2 C7 . . . . 7.9(6) ?
N1 C1 C2 C7 . . . . -172.1(4) ?
C7 C2 C3 O2 . . . . 179.7(4) ?
C1 C2 C3 O2 . . . . -1.8(6) ?
C7 C2 C3 C4 . . . . -0.5(6) ?
C1 C2 C3 C4 . . . . 178.0(4) ?
O2 C3 C4 C5 . . . . 179.3(5) ?
C2 C3 C4 C5 . . . . -0.6(7) ?
C3 C4 C5 C6 . . . . 1.9(8) ?
C4 C5 C6 C7 . . . . -2.1(9) ?
C5 C6 C7 C2 . . . . 1.1(9) ?
C3 C2 C7 C6 . . . . 0.2(7) ?
C1 C2 C7 C6 . . . . -178.4(5) ?
N1 N2 C8 C9 . . . . 179.4(3) ?
Sn1 N2 C8 C9 . . . . -4.6(6) ?
N2 C8 C9 C10 . . . . -5.8(6) ?
N2 C8 C9 C14 . . . . 176.5(4) ?
Sn1 O3 C10 C9 . . . . 11.6(6) ?
Sn1 O3 C10 C11 . . . . -169.6(3) ?
C8 C9 C10 O3 . . . . 2.8(6) ?
C14 C9 C10 O3 . . . . -179.5(3) ?
C8 C9 C10 C11 . . . . -176.0(3) ?
C14 C9 C10 C11 . . . . 1.7(5) ?
O3 C10 C11 C12 . . . . -179.0(4) ?
C9 C10 C11 C12 . . . . -0.2(6) ?
C10 C11 C12 C13 . . . . -1.4(6) ?
C11 C12 C13 C18 . . . . -179.6(4) ?
C11 C12 C13 C14 . . . . 1.3(6) ?
C18 C13 C14 C15 . . . . 2.1(6) ?
C12 C13 C14 C15 . . . . -178.8(4) ?
C18 C13 C14 C9 . . . . -178.8(4) ?
C12 C13 C14 C9 . . . . 0.3(6) ?
C10 C9 C14 C15 . . . . 177.3(4) ?
C8 C9 C14 C15 . . . . -4.9(6) ?
C10 C9 C14 C13 . . . . -1.8(5) ?
C8 C9 C14 C13 . . . . 176.0(3) ?
C13 C14 C15 C16 . . . . -1.8(7) ?
C9 C14 C15 C16 . . . . 179.2(4) ?
C14 C15 C16 C17 . . . . 0.7(8) ?
C15 C16 C17 C18 . . . . 0.0(8) ?
C16 C17 C18 C13 . . . . 0.4(8) ?
C12 C13 C18 C17 . . . . 179.4(5) ?
C14 C13 C18 C17 . . . . -1.5(7) ?
O3 Sn1 C19 C20 . . . . 17.9(3) ?
C25 Sn1 C19 C20 . . . . 122.4(3) ?
O1 Sn1 C19 C20 . . . . -138.7(3) ?
N2 Sn1 C19 C20 . . . . -66.0(3) ?
O3 Sn1 C19 C24 . . . . -162.6(3) ?
C25 Sn1 C19 C24 . . . . -58.2(3) ?
O1 Sn1 C19 C24 . . . . 40.8(3) ?
N2 Sn1 C19 C24 . . . . 113.5(3) ?
C24 C19 C20 C21 . . . . -1.6(6) ?
Sn1 C19 C20 C21 . . . . 177.9(3) ?
C19 C20 C21 C22 . . . . 2.3(7) ?
C20 C21 C22 C23 . . . . -0.9(7) ?
C21 C22 C23 C24 . . . . -1.2(7) ?
C22 C23 C24 C19 . . . . 1.9(7) ?
C20 C19 C24 C23 . . . . -0.5(6) ?
Sn1 C19 C24 C23 . . . . 180.0(3) ?
O3 Sn1 C25 C26 . . . . 37.8(3) ?
C19 Sn1 C25 C26 . . . . -64.0(4) ?
O1 Sn1 C25 C26 . . . . -161.7(3) ?
N2 Sn1 C25 C26 . . . . 123.7(3) ?
O3 Sn1 C25 C30 . . . . -142.1(3) ?
C19 Sn1 C25 C30 . . . . 116.1(3) ?
O1 Sn1 C25 C30 . . . . 18.4(3) ?
N2 Sn1 C25 C30 . . . . -56.2(4) ?
C30 C25 C26 C27 . . . . -0.4(7) ?
Sn1 C25 C26 C27 . . . . 179.7(4) ?
C25 C26 C27 C28 . . . . 1.4(8) ?
C26 C27 C28 C29 . . . . -1.0(8) ?
C27 C28 C29 C30 . . . . -0.3(8) ?
C26 C25 C30 C29 . . . . -0.9(7) ?
Sn1 C25 C30 C29 . . . . 179.0(4) ?
C28 C29 C30 C25 . . . . 1.2(8) ?
