#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/22/2202246.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_2202246
loop_
_publ_author_name
'Chee, Chin Fei'
'Lo, Kong Mun'
'Ng, Seik Weng'
_publ_section_title
;
 μ-Succinato-bis(aquatriphenyltin)bis(o-phenanthroline)
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m36
_journal_page_last               m37
_journal_paper_doi               10.1107/S1600536802022213
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Sn2 (C6 H5)6 (H2 O)2], 2C12 H8 N2'
_chemical_formula_moiety         'C40 H38 O6 Sn2, 2C12 H8 N2'
_chemical_formula_sum            'C64 H54 N4 O6 Sn2'
_chemical_formula_weight         1212.49
_chemical_name_systematic
;
μ-Succinato-bis(aquatriphenyltin) bis(o-phenanthroline)
;
_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                 101.0140(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.5958(8)
_cell_length_b                   13.6077(8)
_cell_length_c                   14.4444(9)
_cell_measurement_reflns_used    7254
_cell_measurement_temperature    168(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      2.1
_cell_volume                     2623.1(3)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      168(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Bruker CCD area-detector'
_diffrn_measurement_method       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  0.026
_diffrn_reflns_av_sigmaI/netI    0.019
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            33422
_diffrn_reflns_theta_full        26.4
_diffrn_reflns_theta_max         26.4
_diffrn_reflns_theta_min         2.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.01
_exptl_absorpt_correction_T_max  0.823
_exptl_absorpt_correction_T_min  0.632
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1228
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         5303
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.022
_refine_ls_R_factor_gt           0.017
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0316P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.047
_refine_ls_wR_factor_ref         0.048
_reflns_number_gt                4570
_reflns_number_total             5303
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ya6143.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.

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.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

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               2202246
_cod_database_fobs_code          2202246
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_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
_atom_site_type_symbol
Sn1 0.628173(8) 0.299052(8) 0.780640(7) 0.01809(4) Uani d . 1 . . Sn
O1 0.53090(10) 0.38590(10) 0.68180(10) 0.0231(2) Uani d . 1 . . O
O2 0.64310(10) 0.39860(10) 0.58780(10) 0.0280(3) Uani d . 1 . . O
O1w 0.72560(10) 0.19500(10) 0.92050(10) 0.0263(3) Uani d D 1 . . O
N1 0.92580(10) 0.12700(10) 0.91200(10) 0.0215(3) Uani d . 1 . . N
N2 0.96250(10) 0.19660(10) 1.09400(10) 0.0258(3) Uani d . 1 . . N
C1 0.51170(10) 0.27600(10) 0.85760(10) 0.0193(3) Uani d . 1 . . C
C2 0.42550(10) 0.22410(10) 0.81890(10) 0.0251(4) Uani d . 1 . . C
C3 0.34790(10) 0.21150(10) 0.86810(10) 0.0306(4) Uani d . 1 . . C
C4 0.35500(10) 0.25340(10) 0.95620(10) 0.0324(4) Uani d . 1 . . C
C5 0.4400(2) 0.30540(10) 0.99580(10) 0.0334(4) Uani d . 1 . . C
C6 0.51820(10) 0.31630(10) 0.94750(10) 0.0265(4) Uani d . 1 . . C
C7 0.66530(10) 0.17870(10) 0.70060(10) 0.0197(3) Uani d . 1 . . C
C8 0.73190(10) 0.18940(10) 0.63900(10) 0.0240(4) Uani d . 1 . . C
C9 0.76180(10) 0.10830(10) 0.59290(10) 0.0310(4) Uani d . 1 . . C
C10 0.7238(2) 0.01650(10) 0.60610(10) 0.0351(5) Uani d . 1 . . C
C11 0.65620(10) 0.00450(10) 0.66590(10) 0.0316(4) Uani d . 1 . . C
C12 0.62840(10) 0.08490(10) 0.71420(10) 0.0251(4) Uani d . 1 . . C
C13 0.73510(10) 0.41020(10) 0.83050(10) 0.0206(3) Uani d . 1 . . C
C14 0.83660(10) 0.38990(10) 0.86490(10) 0.0241(4) Uani d . 1 . . C
C15 0.90270(10) 0.46520(10) 0.89810(10) 0.0302(4) Uani d . 1 . . C
C16 0.8700(2) 0.56140(10) 0.89820(10) 0.0339(4) Uani d . 1 . . C
C17 0.7696(2) 0.58270(10) 0.86390(10) 0.0328(4) Uani d . 1 . . C
C18 0.70310(10) 0.50790(10) 0.83090(10) 0.0276(4) Uani d . 1 . . C
C19 0.56070(10) 0.41790(10) 0.60650(10) 0.0205(3) Uani d . 1 . . C
C20 0.48420(10) 0.48160(10) 0.54430(10) 0.0227(4) Uani d . 1 . . C
C21 0.90970(10) 0.08910(10) 0.82640(10) 0.0244(4) Uani d . 1 . . C
C22 0.98270(10) 0.04260(10) 0.78590(10) 0.0260(4) Uani d . 1 . . C
C23 1.07750(10) 0.03240(10) 0.83770(10) 0.0253(4) Uani d . 1 . . C
C24 1.09820(10) 0.06900(10) 0.93050(10) 0.0211(3) Uani d . 1 . . C
C25 1.19470(10) 0.05700(10) 0.98990(10) 0.0253(4) Uani d . 1 . . C
C26 1.21310(10) 0.09100(10) 1.07900(10) 0.0260(4) Uani d . 1 . . C
C27 1.13580(10) 0.13990(10) 1.11680(10) 0.0235(4) Uani d . 1 . . C
C28 1.15120(10) 0.17210(10) 1.21080(10) 0.0290(4) Uani d . 1 . . C
C29 1.0740(2) 0.21410(10) 1.24420(10) 0.0328(4) Uani d . 1 . . C
C30 0.98140(10) 0.22480(10) 1.18310(10) 0.0309(4) Uani d . 1 . . C
C31 1.03940(10) 0.15340(10) 1.06100(10) 0.0206(3) Uani d . 1 . . C
C32 1.02020(10) 0.11690(10) 0.96470(10) 0.0195(3) Uani d . 1 . . C
H1w1 0.7860(10) 0.179(2) 0.931(2) 0.041(6) Uiso d D 1 . . H
H1w2 0.699(2) 0.170(2) 0.9630(10) 0.054(7) Uiso d D 1 . . H
H2 0.4196 0.1967 0.7576 0.030 Uiso calc R 1 . . H
H3 0.2903 0.1744 0.8412 0.037 Uiso calc R 1 . . H
H4 0.3016 0.2464 0.9895 0.039 Uiso calc R 1 . . H
H5 0.4448 0.3338 1.0566 0.040 Uiso calc R 1 . . H
H6 0.5766 0.3516 0.9757 0.032 Uiso calc R 1 . . H
H8 0.7571 0.2527 0.6285 0.029 Uiso calc R 1 . . H
H9 0.8084 0.1161 0.5521 0.037 Uiso calc R 1 . . H
H10 0.7440 -0.0387 0.5741 0.042 Uiso calc R 1 . . H
H11 0.6289 -0.0586 0.6737 0.038 Uiso calc R 1 . . H
H12 0.5839 0.0761 0.7568 0.030 Uiso calc R 1 . . H
H14 0.8603 0.3242 0.8654 0.029 Uiso calc R 1 . . H
H15 0.9714 0.4504 0.9210 0.036 Uiso calc R 1 . . H
H16 0.9157 0.6125 0.9215 0.041 Uiso calc R 1 . . H
H17 0.7467 0.6486 0.8632 0.039 Uiso calc R 1 . . H
H18 0.6346 0.5232 0.8081 0.033 Uiso calc R 1 . . H
H20a 0.4213 0.4436 0.5261 0.027 Uiso calc R 1 . . H
H20b 0.4693 0.5390 0.5815 0.027 Uiso calc R 1 . . H
H21 0.8439 0.0937 0.7898 0.029 Uiso calc R 1 . . H
H22 0.9667 0.0183 0.7231 0.031 Uiso calc R 1 . . H
H23 1.1284 0.0012 0.8114 0.030 Uiso calc R 1 . . H
H25 1.2465 0.0246 0.9660 0.030 Uiso calc R 1 . . H
H26 1.2776 0.0826 1.1172 0.031 Uiso calc R 1 . . H
H28 1.2149 0.1645 1.2508 0.035 Uiso calc R 1 . . H
H29 1.0828 0.2358 1.3078 0.039 Uiso calc R 1 . . H
H30 0.9284 0.2545 1.2074 0.037 Uiso calc R 1 . . H
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_site_symmetry_1
_geom_angle
_geom_angle_publ_flag
C1 Sn1 C7 . 116.70(10) yes
C1 Sn1 C13 . 117.30(10) yes
C1 Sn1 O1 . 90.20(10) yes
C1 Sn1 O1w . 80.40(10) yes
C7 Sn1 C13 . 121.00(10) yes
C7 Sn1 O1 . 104.30(10) yes
C7 Sn1 O1w . 82.20(10) yes
C13 Sn1 O1 . 97.50(10) yes
C13 Sn1 O1w . 84.90(10) yes
O1 Sn1 O1w . 170.30(10) yes
C19 O1 Sn1 . 119.70(10) no
C21 N1 C32 . 116.90(10) no
C30 N2 C31 . 116.6(2) no
C2 C1 C6 . 118.1(2) no
C2 C1 Sn1 . 121.30(10) no
C6 C1 Sn1 . 120.50(10) no
C1 C2 C3 . 121.4(2) no
C4 C3 C2 . 119.5(2) no
C3 C4 C5 . 120.0(2) no
C4 C5 C6 . 120.4(2) no
C5 C6 C1 . 120.5(2) no
C8 C7 C12 . 118.7(2) no
C8 C7 Sn1 . 121.20(10) no
C12 C7 Sn1 . 120.00(10) no
C9 C8 C7 . 120.5(2) no
C10 C9 C8 . 120.1(2) no
C9 C10 C11 . 120.3(2) no
C10 C11 C12 . 119.8(2) no
C11 C12 C7 . 120.6(2) no
C18 C13 C14 . 118.1(2) no
C18 C13 Sn1 . 119.00(10) no
C14 C13 Sn1 . 122.90(10) no
C15 C14 C13 . 120.4(2) no
C16 C15 C14 . 120.8(2) no
C15 C16 C17 . 119.4(2) no
C18 C17 C16 . 120.1(2) no
C17 C18 C13 . 121.2(2) no
O2 C19 O1 . 123.6(2) no
O2 C19 C20 . 122.90(10) no
O1 C19 C20 . 113.50(10) no
C20 C20 C19 3_666 114.7(2) no
N1 C21 C22 . 124.5(2) no
C23 C22 C21 . 119.2(2) no
C22 C23 C24 . 118.8(2) no
C23 C24 C32 . 118.0(2) no
C23 C24 C25 . 121.6(2) no
C32 C24 C25 . 120.4(2) no
C26 C25 C24 . 121.0(2) no
C25 C26 C27 . 120.5(2) no
C28 C27 C31 . 117.5(2) no
C28 C27 C26 . 121.8(2) no
C31 C27 C26 . 120.6(2) no
C29 C28 C27 . 119.4(2) no
C28 C29 C30 . 118.8(2) no
N2 C30 C29 . 124.6(2) no
N2 C31 C27 . 123.1(2) no
N2 C31 C32 . 118.20(10) no
C27 C31 C32 . 118.7(2) no
N1 C32 C24 . 122.6(2) no
N1 C32 C31 . 118.50(10) no
C24 C32 C31 . 118.90(10) no
Sn1 O1w H1w1 . 128(2) no
Sn1 O1w H1w2 . 123(2) no
H1w1 O1w H1w2 . 108(2) no
C1 C2 H2 . 119.3 no
C3 C2 H2 . 119.3 no
C4 C3 H3 . 120.2 no
C2 C3 H3 . 120.2 no
C3 C4 H4 . 120.0 no
C5 C4 H4 . 120.0 no
C4 C5 H5 . 119.8 no
C6 C5 H5 . 119.8 no
C5 C6 H6 . 119.8 no
C1 C6 H6 . 119.8 no
C9 C8 H8 . 119.7 no
C7 C8 H8 . 119.7 no
C10 C9 H9 . 119.9 no
C8 C9 H9 . 119.9 no
C9 C10 H10 . 119.9 no
C11 C10 H10 . 119.9 no
C10 C11 H11 . 120.1 no
C12 C11 H11 . 120.1 no
C11 C12 H12 . 119.7 no
C7 C12 H12 . 119.7 no
C15 C14 H14 . 119.8 no
C13 C14 H14 . 119.8 no
C16 C15 H15 . 119.6 no
C14 C15 H15 . 119.6 no
C15 C16 H16 . 120.3 no
C17 C16 H16 . 120.3 no
C18 C17 H17 . 119.9 no
C16 C17 H17 . 119.9 no
C17 C18 H18 . 119.4 no
C13 C18 H18 . 119.4 no
C20 C20 H20a 3_666 108.6 no
C19 C20 H20a . 108.6 no
C20 C20 H20b 3_666 108.6 no
C19 C20 H20b . 108.6 no
H20a C20 H20b . 107.6 no
N1 C21 H21 . 117.8 no
C22 C21 H21 . 117.8 no
C23 C22 H22 . 120.4 no
C21 C22 H22 . 120.4 no
C22 C23 H23 . 120.6 no
C24 C23 H23 . 120.6 no
C26 C25 H25 . 119.5 no
C24 C25 H25 . 119.5 no
C25 C26 H26 . 119.7 no
C27 C26 H26 . 119.7 no
C29 C28 H28 . 120.3 no
C27 C28 H28 . 120.3 no
C28 C29 H29 . 120.6 no
C30 C29 H29 . 120.6 no
N2 C30 H30 . 117.7 no
C29 C30 H30 . 117.7 no
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 . 2.1130(10) yes
Sn1 O1w . 2.6120(10) yes
Sn1 C1 . 2.124(2) yes
Sn1 C7 . 2.121(2) yes
Sn1 C13 . 2.125(2) yes
O1 C19 . 1.305(2) no
O2 C19 . 1.230(2) no
N1 C21 . 1.320(2) no
N1 C32 . 1.369(2) no
N2 C30 . 1.320(2) no
N2 C31 . 1.363(2) no
C1 C2 . 1.390(2) no
C1 C6 . 1.397(2) no
C2 C3 . 1.391(2) no
C3 C4 . 1.381(3) no
C4 C5 . 1.382(3) no
C5 C6 . 1.388(3) no
C7 C8 . 1.393(2) no
C7 C12 . 1.399(2) no
C8 C9 . 1.390(2) no
C9 C10 . 1.379(3) no
C10 C11 . 1.386(3) no
C11 C12 . 1.388(2) no
C13 C18 . 1.399(2) no
C13 C14 . 1.402(2) no
C14 C15 . 1.386(2) no
C15 C16 . 1.383(3) no
C16 C17 . 1.390(3) no
C17 C18 . 1.384(2) no
C19 C20 . 1.512(2) no
C20 C20 3_666 1.511(3) no
C21 C22 . 1.396(2) no
C22 C23 . 1.368(2) no
C23 C24 . 1.408(2) no
C24 C32 . 1.412(2) no
C24 C25 . 1.434(2) no
C25 C26 . 1.345(2) no
C26 C27 . 1.436(2) no
C27 C28 . 1.404(2) no
C27 C31 . 1.414(2) no
C28 C29 . 1.363(3) no
C29 C30 . 1.401(3) no
C31 C32 . 1.452(2) no
O1w H1w1 . 0.830(10) no
O1w H1w2 . 0.840(10) no
C2 H2 . 0.9500 no
C3 H3 . 0.9500 no
C4 H4 . 0.9500 no
C5 H5 . 0.9500 no
C6 H6 . 0.9500 no
C8 H8 . 0.9500 no
C9 H9 . 0.9500 no
C10 H10 . 0.9500 no
C11 H11 . 0.9500 no
C12 H12 . 0.9500 no
C14 H14 . 0.9500 no
C15 H15 . 0.9500 no
C16 H16 . 0.9500 no
C17 H17 . 0.9500 no
C18 H18 . 0.9500 no
C20 H20a . 0.9900 no
C20 H20b . 0.9900 no
C21 H21 . 0.9500 no
C22 H22 . 0.9500 no
C23 H23 . 0.9500 no
C25 H25 . 0.9500 no
C26 H26 . 0.9500 no
C28 H28 . 0.9500 no
C29 H29 . 0.9500 no
C30 H30 . 0.9500 no
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
O1w H1w1 N1 . 0.830(10) 2.100(10) 2.899(2) 161(2) yes
O1w H1w2 O2 4_566 0.840(10) 2.290(10) 3.123(2) 173(2) yes
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_4
_geom_torsion
_geom_torsion_publ_flag
C7 Sn1 O1 C19 . -56.60(10) no
C1 Sn1 O1 C19 . -174.30(10) no
C13 Sn1 O1 C19 . 68.20(10) no
O1 Sn1 C1 C2 . 65.10(10) no
C7 Sn1 C1 C2 . -41.10(10) no
C13 Sn1 C1 C2 . 163.60(10) no
O1w Sn1 C1 C2 . -117.30(10) no
O1 Sn1 C1 C6 . -112.30(10) no
C7 Sn1 C1 C6 . 141.60(10) no
C13 Sn1 C1 C6 . -13.7(2) no
O1w Sn1 C1 C6 . 65.40(10) no
C6 C1 C2 C3 . -0.6(2) no
Sn1 C1 C2 C3 . -178.00(10) no
C1 C2 C3 C4 . 1.6(3) no
C2 C3 C4 C5 . -1.5(3) no
C3 C4 C5 C6 . 0.3(3) no
C4 C5 C6 C1 . 0.8(3) no
C2 C1 C6 C5 . -0.6(2) no
Sn1 C1 C6 C5 . 176.80(10) no
O1 Sn1 C7 C8 . 74.70(10) no
C1 Sn1 C7 C8 . 172.30(10) no
C13 Sn1 C7 C8 . -33.4(2) no
O1w Sn1 C7 C8 . -112.60(10) no
O1 Sn1 C7 C12 . -110.00(10) no
C1 Sn1 C7 C12 . -12.40(10) no
C13 Sn1 C7 C12 . 142.00(10) no
O1w Sn1 C7 C12 . 62.80(10) no
C12 C7 C8 C9 . -0.7(2) no
Sn1 C7 C8 C9 . 174.80(10) no
C7 C8 C9 C10 . 1.5(2) no
C8 C9 C10 C11 . -0.4(3) no
C9 C10 C11 C12 . -1.5(3) no
C10 C11 C12 C7 . 2.2(2) no
C8 C7 C12 C11 . -1.2(2) no
Sn1 C7 C12 C11 . -176.70(10) no
O1 Sn1 C13 C18 . 30.60(10) no
C7 Sn1 C13 C18 . 142.30(10) no
C1 Sn1 C13 C18 . -63.50(10) no
O1w Sn1 C13 C18 . -140.00(10) no
O1 Sn1 C13 C14 . -150.60(10) no
C7 Sn1 C13 C14 . -38.9(2) no
C1 Sn1 C13 C14 . 115.30(10) no
O1w Sn1 C13 C14 . 38.80(10) no
C18 C13 C14 C15 . 0.0(2) no
Sn1 C13 C14 C15 . -178.90(10) no
C13 C14 C15 C16 . 0.2(3) no
C14 C15 C16 C17 . -0.4(3) no
C15 C16 C17 C18 . 0.6(3) no
C16 C17 C18 C13 . -0.5(3) no
C14 C13 C18 C17 . 0.2(2) no
Sn1 C13 C18 C17 . 179.10(10) no
Sn1 O1 C19 O2 . 1.6(2) no
Sn1 O1 C19 C20 . -178.10(10) no
O2 C19 C20 C20 3_666 1.3(3) no
O1 C19 C20 C20 3_666 -179.0(2) no
C32 N1 C21 C22 . -1.9(2) no
N1 C21 C22 C23 . 1.7(3) no
C21 C22 C23 C24 . 0.2(2) no
C22 C23 C24 C32 . -1.6(2) no
C22 C23 C24 C25 . 177.3(2) no
C23 C24 C25 C26 . -179.0(2) no
C32 C24 C25 C26 . 0.0(2) no
C24 C25 C26 C27 . 0.2(3) no
C25 C26 C27 C28 . 176.9(2) no
C25 C26 C27 C31 . -0.2(2) no
C31 C27 C28 C29 . 0.1(2) no
C26 C27 C28 C29 . -177.1(2) no
C27 C28 C29 C30 . -0.6(3) no
C31 N2 C30 C29 . 0.6(3) no
C28 C29 C30 N2 . 0.2(3) no
C30 N2 C31 C27 . -1.1(2) no
C30 N2 C31 C32 . 177.0(2) no
C28 C27 C31 N2 . 0.7(2) no
C26 C27 C31 N2 . 178.0(2) no
C28 C27 C31 C32 . -177.3(2) no
C26 C27 C31 C32 . 0.0(2) no
C21 N1 C32 C24 . 0.3(2) no
C21 N1 C32 C31 . -177.00(10) no
C23 C24 C32 N1 . 1.4(2) no
C25 C24 C32 N1 . -177.6(2) no
C23 C24 C32 C31 . 178.8(2) no
C25 C24 C32 C31 . -0.2(2) no
N2 C31 C32 N1 . -0.4(2) no
C27 C31 C32 N1 . 177.70(10) no
N2 C31 C32 C24 . -177.90(10) no
C27 C31 C32 C24 . 0.3(2) no
