#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/89/2228978.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_2228978
loop_
_publ_author_name
'Najafi, Ezzatollah'
'Amini, Mostafa M.'
'Ng, Seik Weng'
_publ_section_title
;
 Di-n-butylbis(thiocyanato-κN)(1,10-phenanthroline-κ²N,N')tin(IV)
;
_journal_coeditor_code           BT5460
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m210
_journal_paper_doi               10.1107/S1600536811001292
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn (C4 H9)2 (N C S)2 (C12 H8 N2]'
_chemical_formula_moiety         'C22 H26 N4 S2 Sn'
_chemical_formula_sum            'C22 H26 N4 S2 Sn'
_chemical_formula_weight         529.28
_chemical_name_systematic
;
Di-n-butylbis(thiocyanato-κN)(1,10-phenanthroline-
κ²N,N')tin(IV)
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 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                 107.452(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.0008(3)
_cell_length_b                   10.5220(2)
_cell_length_c                   15.8359(3)
_cell_measurement_reflns_used    10240
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.4
_cell_measurement_theta_min      2.2
_cell_volume                     2384.46(8)
_computing_cell_refinement       'CrysAlis Pro (Agilent Technologies, 2010)'
_computing_data_collection       'CrysAlis Pro (Agilent Technologies, 2010)'
_computing_data_reduction        'CrysAlis Pro (Agilent Technologies, 2010)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type
;
Agilent Technologies SuperNova (Dual, Cu at zero) diffractometer with an Atlas
detector
;
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0411
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11981
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.23
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.262
_exptl_absorpt_correction_T_max  0.8842
_exptl_absorpt_correction_T_min  0.7034
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlis Pro (Agilent Technologies, 2010)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.610
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         5323
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0289
_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)+(0.0326P)²+0.2915P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0703
_reflns_number_gt                4659
_reflns_number_total             5323
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt5460.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/n'
_cod_database_code               2228978
_cod_database_fobs_code          2228978
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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 0.7500 0.646740(19) 0.2500 0.01691(7) Uani d S 1 . .
Sn Sn2 0.7500 0.61402(2) 0.7500 0.01760(7) Uani d S 1 . .
S S1 0.80427(5) 0.90208(6) 0.00369(4) 0.02442(15) Uani d . 1 . .
S S2 1.01982(5) 0.34705(6) 0.92845(5) 0.02964(16) Uani d . 1 . .
N N1 0.76659(13) 0.46325(17) 0.16982(12) 0.0186(4) Uani d . 1 . .
N N2 0.76347(15) 0.7767(2) 0.14184(14) 0.0296(5) Uani d . 1 . .
N N3 0.83931(12) 0.79303(17) 0.80419(12) 0.0168(4) Uani d . 1 . .
N N4 0.87303(16) 0.4872(2) 0.82567(14) 0.0328(5) Uani d . 1 . .
C C1 0.60205(16) 0.6504(2) 0.19698(17) 0.0232(5) Uani d . 1 . .
H H1A 0.5832 0.5919 0.1457 0.028 Uiso calc R 1 . .
H H1B 0.5745 0.6180 0.2423 0.028 Uiso calc R 1 . .
C C2 0.56148(17) 0.7817(2) 0.16729(18) 0.0291(6) Uani d . 1 . .
H H2A 0.5763 0.8055 0.1125 0.035 Uiso calc R 1 . .
H H2B 0.5917 0.8446 0.2135 0.035 Uiso calc R 1 . .
C C3 0.45576(19) 0.7876(3) 0.14991(18) 0.0394(7) Uani d . 1 . .
H H3A 0.4255 0.7214 0.1063 0.047 Uiso calc R 1 . .
H H3B 0.4409 0.7696 0.2056 0.047 Uiso calc R 1 . .
C C4 0.4165(2) 0.9175(3) 0.1149(2) 0.0578(10) Uani d . 1 . .
H H4A 0.3488 0.9181 0.1049 0.087 Uiso calc R 1 . .
H H4B 0.4297 0.9346 0.0590 0.087 Uiso calc R 1 . .
H H4C 0.4458 0.9831 0.1582 0.087 Uiso calc R 1 . .
C C5 0.78497(16) 0.4644(2) 0.09300(15) 0.0238(5) Uani d . 1 . .
H H5 0.7912 0.5440 0.0670 0.029 Uiso calc R 1 . .
C C6 0.79562(19) 0.3532(2) 0.04866(17) 0.0292(6) Uani d . 1 . .
H H6 0.8094 0.3574 -0.0060 0.035 Uiso calc R 1 . .
C C7 0.78590(17) 0.2385(2) 0.08520(17) 0.0303(6) Uani d . 1 . .
H H7 0.7913 0.1621 0.0551 0.036 Uiso calc R 1 . .
C C8 0.76801(16) 0.2333(2) 0.16709(17) 0.0246(6) Uani d . 1 . .
C C9 0.75910(15) 0.3498(2) 0.20787(15) 0.0184(5) Uani d . 1 . .
C C10 0.7587(2) 0.1170(2) 0.21069(19) 0.0354(7) Uani d . 1 . .
H H10 0.7649 0.0383 0.1836 0.042 Uiso calc R 1 . .
C C11 0.78116(16) 0.8286(2) 0.08429(15) 0.0191(5) Uani d . 1 . .
C C12 0.70141(16) 0.5978(2) 0.86263(15) 0.0207(5) Uani d . 1 . .
H H12A 0.6957 0.5064 0.8749 0.025 Uiso calc R 1 . .
H H12B 0.7494 0.6343 0.9142 0.025 Uiso calc R 1 . .
C C13 0.60877(17) 0.6616(2) 0.85540(16) 0.0245(5) Uani d . 1 . .
H H13A 0.5619 0.6324 0.8004 0.029 Uiso calc R 1 . .
H H13B 0.6162 0.7545 0.8505 0.029 Uiso calc R 1 . .
C C14 0.57178(19) 0.6351(2) 0.93319(17) 0.0289(6) Uani d . 1 . .
H H14A 0.5663 0.5421 0.9397 0.035 Uiso calc R 1 . .
H H14B 0.6171 0.6675 0.9881 0.035 Uiso calc R 1 . .
C C15 0.47828(19) 0.6955(3) 0.92244(19) 0.0389(7) Uani d . 1 . .
H H15A 0.4576 0.6755 0.9740 0.058 Uiso calc R 1 . .
H H15B 0.4327 0.6626 0.8688 0.058 Uiso calc R 1 . .
H H15C 0.4836 0.7879 0.9175 0.058 Uiso calc R 1 . .
C C16 0.92697(16) 0.7912(2) 0.85792(15) 0.0217(5) Uani d . 1 . .
H H16 0.9561 0.7116 0.8764 0.026 Uiso calc R 1 . .
C C17 0.97730(18) 0.9027(2) 0.88790(16) 0.0262(6) Uani d . 1 . .
H H17 1.0397 0.8983 0.9260 0.031 Uiso calc R 1 . .
C C18 0.93621(17) 1.0177(2) 0.86206(16) 0.0262(6) Uani d . 1 . .
H H18 0.9701 1.0939 0.8815 0.031 Uiso calc R 1 . .
C C19 0.84303(17) 1.0231(2) 0.80631(16) 0.0224(5) Uani d . 1 . .
C C20 0.79742(15) 0.9072(2) 0.77864(14) 0.0170(5) Uani d . 1 . .
C C21 0.79440(18) 1.1396(2) 0.77720(18) 0.0282(6) Uani d . 1 . .
H H21 0.8249 1.2182 0.7964 0.034 Uiso calc R 1 . .
C C22 0.93256(18) 0.4328(2) 0.86806(16) 0.0214(5) Uani d . 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C1 Sn1 C1 2_655 . 177.93(12) ?
C1 Sn1 N2 2_655 2_655 90.57(9) ?
C1 Sn1 N2 . 2_655 88.18(8) ?
C1 Sn1 N2 2_655 . 88.18(8) ?
C1 Sn1 N2 . . 90.57(9) ?
N2 Sn1 N2 2_655 . 105.05(11) ?
C1 Sn1 N1 2_655 . 87.78(8) ?
C1 Sn1 N1 . . 93.91(8) ?
N2 Sn1 N1 2_655 . 162.54(7) ?
N2 Sn1 N1 . . 92.27(7) ?
C1 Sn1 N1 2_655 2_655 93.91(8) ?
C1 Sn1 N1 . 2_655 87.78(8) ?
N2 Sn1 N1 2_655 2_655 92.27(7) ?
N2 Sn1 N1 . 2_655 162.54(7) ?
N1 Sn1 N1 . 2_655 70.53(9) ?
C12 Sn2 C12 2_656 . 170.80(13) ?
C12 Sn2 N4 2_656 2_656 86.55(8) ?
C12 Sn2 N4 . 2_656 88.12(8) ?
C12 Sn2 N4 2_656 . 88.12(8) ?
C12 Sn2 N4 . . 86.55(8) ?
N4 Sn2 N4 2_656 . 109.11(11) ?
C12 Sn2 N3 2_656 . 94.02(8) ?
C12 Sn2 N3 . . 93.44(8) ?
N4 Sn2 N3 2_656 . 161.22(7) ?
N4 Sn2 N3 . . 89.68(7) ?
C12 Sn2 N3 2_656 2_656 93.44(8) ?
C12 Sn2 N3 . 2_656 94.02(8) ?
N4 Sn2 N3 2_656 2_656 89.68(7) ?
N4 Sn2 N3 . 2_656 161.22(7) ?
N3 Sn2 N3 . 2_656 71.54(9) ?
C5 N1 C9 . . 118.9(2) ?
C5 N1 Sn1 . . 124.72(15) ?
C9 N1 Sn1 . . 116.34(15) ?
C11 N2 Sn1 . . 168.4(2) ?
C16 N3 C20 . . 118.75(19) ?
C16 N3 Sn2 . . 124.96(15) ?
C20 N3 Sn2 . . 116.29(14) ?
C22 N4 Sn2 . . 173.9(2) ?
C2 C1 Sn1 . . 114.26(17) ?
C2 C1 H1A . . 108.7 ?
Sn1 C1 H1A . . 108.7 ?
C2 C1 H1B . . 108.7 ?
Sn1 C1 H1B . . 108.7 ?
H1A C1 H1B . . 107.6 ?
C1 C2 C3 . . 112.9(2) ?
C1 C2 H2A . . 109.0 ?
C3 C2 H2A . . 109.0 ?
C1 C2 H2B . . 109.0 ?
C3 C2 H2B . . 109.0 ?
H2A C2 H2B . . 107.8 ?
C4 C3 C2 . . 111.7(3) ?
C4 C3 H3A . . 109.3 ?
C2 C3 H3A . . 109.3 ?
C4 C3 H3B . . 109.3 ?
C2 C3 H3B . . 109.3 ?
H3A C3 H3B . . 107.9 ?
C3 C4 H4A . . 109.5 ?
C3 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C3 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
N1 C5 C6 . . 122.7(2) ?
N1 C5 H5 . . 118.7 ?
C6 C5 H5 . . 118.7 ?
C7 C6 C5 . . 119.0(3) ?
C7 C6 H6 . . 120.5 ?
C5 C6 H6 . . 120.5 ?
C6 C7 C8 . . 120.1(2) ?
C6 C7 H7 . . 120.0 ?
C8 C7 H7 . . 120.0 ?
C7 C8 C9 . . 117.4(2) ?
C7 C8 C10 . . 123.5(2) ?
C9 C8 C10 . . 119.1(2) ?
N1 C9 C8 . . 122.0(2) ?
N1 C9 C9 . 2_655 118.39(13) ?
C8 C9 C9 . 2_655 119.65(15) ?
C10 C10 C8 2_655 . 121.30(15) ?
C10 C10 H10 2_655 . 119.4 ?
C8 C10 H10 . . 119.4 ?
N2 C11 S1 . . 179.1(2) ?
C13 C12 Sn2 . . 115.99(15) ?
C13 C12 H12A . . 108.3 ?
Sn2 C12 H12A . . 108.3 ?
C13 C12 H12B . . 108.3 ?
Sn2 C12 H12B . . 108.3 ?
H12A C12 H12B . . 107.4 ?
C12 C13 C14 . . 114.0(2) ?
C12 C13 H13A . . 108.8 ?
C14 C13 H13A . . 108.8 ?
C12 C13 H13B . . 108.8 ?
C14 C13 H13B . . 108.8 ?
H13A C13 H13B . . 107.6 ?
C15 C14 C13 . . 112.7(2) ?
C15 C14 H14A . . 109.1 ?
C13 C14 H14A . . 109.1 ?
C15 C14 H14B . . 109.1 ?
C13 C14 H14B . . 109.1 ?
H14A C14 H14B . . 107.8 ?
C14 C15 H15A . . 109.5 ?
C14 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C14 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
N3 C16 C17 . . 122.2(2) ?
N3 C16 H16 . . 118.9 ?
C17 C16 H16 . . 118.9 ?
C18 C17 C16 . . 119.5(2) ?
C18 C17 H17 . . 120.2 ?
C16 C17 H17 . . 120.2 ?
C17 C18 C19 . . 119.8(2) ?
C17 C18 H18 . . 120.1 ?
C19 C18 H18 . . 120.1 ?
C20 C19 C18 . . 117.3(2) ?
C20 C19 C21 . . 119.4(2) ?
C18 C19 C21 . . 123.3(2) ?
N3 C20 C19 . . 122.4(2) ?
N3 C20 C20 . 2_656 117.94(12) ?
C19 C20 C20 . 2_656 119.61(14) ?
C21 C21 C19 2_656 . 121.02(14) ?
C21 C21 H21 2_656 . 119.5 ?
C19 C21 H21 . . 119.5 ?
N4 C22 S2 . . 177.7(2) ?
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 C1 2_655 2.125(2) ?
Sn1 C1 . 2.125(2) ?
Sn1 N2 2_655 2.248(2) ?
Sn1 N2 . 2.248(2) ?
Sn1 N1 . 2.3646(19) ?
Sn1 N1 2_655 2.3646(19) ?
Sn2 C12 2_656 2.126(2) ?
Sn2 C12 . 2.126(2) ?
Sn2 N4 2_656 2.302(2) ?
Sn2 N4 . 2.302(2) ?
Sn2 N3 . 2.3215(18) ?
Sn2 N3 2_656 2.3215(18) ?
S1 C11 . 1.616(3) ?
S2 C22 . 1.641(3) ?
N1 C5 . 1.326(3) ?
N1 C9 . 1.357(3) ?
N2 C11 . 1.159(3) ?
N3 C16 . 1.335(3) ?
N3 C20 . 1.360(3) ?
N4 C22 . 1.102(3) ?
C1 C2 . 1.526(3) ?
C1 H1A . 0.9900 ?
C1 H1B . 0.9900 ?
C2 C3 . 1.527(4) ?
C2 H2A . 0.9900 ?
C2 H2B . 0.9900 ?
C3 C4 . 1.525(4) ?
C3 H3A . 0.9900 ?
C3 H3B . 0.9900 ?
C4 H4A . 0.9800 ?
C4 H4B . 0.9800 ?
C4 H4C . 0.9800 ?
C5 C6 . 1.398(3) ?
C5 H5 . 0.9500 ?
C6 C7 . 1.365(4) ?
C6 H6 . 0.9500 ?
C7 C8 . 1.402(4) ?
C7 H7 . 0.9500 ?
C8 C9 . 1.410(3) ?
C8 C10 . 1.433(4) ?
C9 C9 2_655 1.440(5) ?
C10 C10 2_655 1.347(6) ?
C10 H10 . 0.9500 ?
C12 C13 . 1.516(3) ?
C12 H12A . 0.9900 ?
C12 H12B . 0.9900 ?
C13 C14 . 1.521(4) ?
C13 H13A . 0.9900 ?
C13 H13B . 0.9900 ?
C14 C15 . 1.502(4) ?
C14 H14A . 0.9900 ?
C14 H14B . 0.9900 ?
C15 H15A . 0.9800 ?
C15 H15B . 0.9800 ?
C15 H15C . 0.9800 ?
C16 C17 . 1.399(3) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.364(3) ?
C17 H17 . 0.9500 ?
C18 C19 . 1.413(3) ?
C18 H18 . 0.9500 ?
C19 C20 . 1.403(3) ?
C19 C21 . 1.430(3) ?
C20 C20 2_656 1.440(4) ?
C21 C21 2_656 1.352(5) ?
C21 H21 . 0.9500 ?
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 Sn1 N1 C5 2_655 . . . -83.32(19) ?
C1 Sn1 N1 C5 . . . . 95.49(18) ?
N2 Sn1 N1 C5 2_655 . . . -168.1(2) ?
N2 Sn1 N1 C5 . . . . 4.76(18) ?
N1 Sn1 N1 C5 2_655 . . . -178.3(2) ?
C1 Sn1 N1 C9 2_655 . . . 94.70(16) ?
C1 Sn1 N1 C9 . . . . -86.49(16) ?
N2 Sn1 N1 C9 2_655 . . . 9.9(3) ?
N2 Sn1 N1 C9 . . . . -177.21(15) ?
N1 Sn1 N1 C9 2_655 . . . -0.24(11) ?
C1 Sn1 N2 C11 2_655 . . . 51.6(10) ?
C1 Sn1 N2 C11 . . . . -130.1(10) ?
N2 Sn1 N2 C11 2_655 . . . 141.7(10) ?
N1 Sn1 N2 C11 . . . . -36.1(10) ?
N1 Sn1 N2 C11 2_655 . . . -45.7(11) ?
C12 Sn2 N3 C16 2_656 . . . -88.13(19) ?
C12 Sn2 N3 C16 . . . . 86.48(19) ?
N4 Sn2 N3 C16 2_656 . . . -179.2(2) ?
N4 Sn2 N3 C16 . . . . -0.05(18) ?
N3 Sn2 N3 C16 2_656 . . . 179.6(2) ?
C12 Sn2 N3 C20 2_656 . . . 92.20(16) ?
C12 Sn2 N3 C20 . . . . -93.18(16) ?
N4 Sn2 N3 C20 2_656 . . . 1.1(3) ?
N4 Sn2 N3 C20 . . . . -179.71(16) ?
N3 Sn2 N3 C20 2_656 . . . -0.09(11) ?
N2 Sn1 C1 C2 2_655 . . . 62.44(19) ?
N2 Sn1 C1 C2 . . . . -42.61(19) ?
N1 Sn1 C1 C2 . . . . -134.92(19) ?
N1 Sn1 C1 C2 2_655 . . . 154.78(19) ?
Sn1 C1 C2 C3 . . . . -166.65(18) ?
C1 C2 C3 C4 . . . . -176.4(2) ?
C9 N1 C5 C6 . . . . 1.0(3) ?
Sn1 N1 C5 C6 . . . . 178.97(18) ?
N1 C5 C6 C7 . . . . 0.6(4) ?
C5 C6 C7 C8 . . . . -1.7(4) ?
C6 C7 C8 C9 . . . . 1.1(4) ?
C6 C7 C8 C10 . . . . -178.7(3) ?
C5 N1 C9 C8 . . . . -1.6(3) ?
Sn1 N1 C9 C8 . . . . -179.73(16) ?
C5 N1 C9 C9 . . . 2_655 178.8(2) ?
Sn1 N1 C9 C9 . . . 2_655 0.7(3) ?
C7 C8 C9 N1 . . . . 0.5(3) ?
C10 C8 C9 N1 . . . . -179.6(2) ?
C7 C8 C9 C9 . . . 2_655 -179.9(3) ?
C10 C8 C9 C9 . . . 2_655 0.0(4) ?
C7 C8 C10 C10 . . . 2_655 -179.9(3) ?
C9 C8 C10 C10 . . . 2_655 0.3(5) ?
N4 Sn2 C12 C13 2_656 . . . -67.64(18) ?
N4 Sn2 C12 C13 . . . . -176.91(18) ?
N3 Sn2 C12 C13 . . . . 93.62(17) ?
N3 Sn2 C12 C13 2_656 . . . 21.90(18) ?
Sn2 C12 C13 C14 . . . . 173.58(16) ?
C12 C13 C14 C15 . . . . -177.8(2) ?
C20 N3 C16 C17 . . . . -0.7(3) ?
Sn2 N3 C16 C17 . . . . 179.63(18) ?
N3 C16 C17 C18 . . . . 0.2(4) ?
C16 C17 C18 C19 . . . . 0.8(4) ?
C17 C18 C19 C20 . . . . -1.2(4) ?
C17 C18 C19 C21 . . . . 179.1(2) ?
C16 N3 C20 C19 . . . . 0.3(3) ?
Sn2 N3 C20 C19 . . . . 179.99(17) ?
C16 N3 C20 C20 . . . 2_656 -179.4(2) ?
Sn2 N3 C20 C20 . . . 2_656 0.3(3) ?
C18 C19 C20 N3 . . . . 0.6(3) ?
C21 C19 C20 N3 . . . . -179.6(2) ?
C18 C19 C20 C20 . . . 2_656 -179.6(3) ?
C21 C19 C20 C20 . . . 2_656 0.1(4) ?
C20 C19 C21 C21 . . . 2_656 -0.7(5) ?
C18 C19 C21 C21 . . . 2_656 179.1(3) ?
