#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/93/7019306.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_7019306
loop_
_publ_author_name
'Brazeau, Allison L.'
'Jones, Nathan D.'
'Ragogna, Paul J.'
_publ_section_title
;
 Chemistry of the heavy group 15 elements with the pyridyl tethered
 1,2-bis(imino)acenaphthene "clamshell" ligand.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7890
_journal_page_last               7896
_journal_paper_doi               10.1039/c2dt30171g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C33 H25 Cl4 N3 Sn, C H2 Cl2'
_chemical_formula_sum            'C34 H27 Cl6 N3 Sn'
_chemical_formula_weight         808.98
_chemical_name_systematic
;
?
;
_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                 113.49(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.498(2)
_cell_length_b                   17.844(4)
_cell_length_c                   18.107(6)
_cell_measurement_reflns_used    7984
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     3407.2(16)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2001)'
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans, and ω scans'
_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  0.0250
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15195
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.250
_exptl_absorpt_correction_T_max  0.8347
_exptl_absorpt_correction_T_min  0.7452
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.546
_refine_diff_density_min         -1.191
_refine_diff_density_rms         0.266
_refine_ls_extinction_coef       0.0119(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         7779
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0728
_refine_ls_R_factor_gt           0.0574
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1166P)²+5.8006P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1584
_refine_ls_wR_factor_ref         0.1808
_reflns_number_gt                6383
_reflns_number_total             7779
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30171g.txt
_cod_data_source_block           2Sn
_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_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3407.2(15)
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7019306
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_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
Sn1 Sn 0.11389(3) -0.132235(16) 0.868595(16) 0.02288(15) Uani 1 1 d .
Cl1 Cl 0.05262(12) -0.05401(7) 0.95019(7) 0.0360(3) Uani 1 1 d .
Cl2 Cl -0.05233(10) -0.09112(6) 0.74514(6) 0.0282(2) Uani 1 1 d .
Cl3 Cl -0.00306(11) -0.24074(6) 0.87248(7) 0.0319(3) Uani 1 1 d .
Cl4 Cl 0.30314(11) -0.17210(7) 0.98185(7) 0.0342(3) Uani 1 1 d .
N1 N 0.2445(3) -0.0438(2) 0.8503(2) 0.0238(7) Uani 1 1 d .
N2 N 0.2082(3) -0.1874(2) 0.7945(2) 0.0234(7) Uani 1 1 d .
N3 N 0.2032(4) -0.0469(2) 0.6215(2) 0.0289(8) Uani 1 1 d .
C1 C 0.3278(4) -0.0737(2) 0.8290(2) 0.0237(8) Uani 1 1 d .
C2 C 0.3075(4) -0.1531(3) 0.7990(3) 0.0249(8) Uani 1 1 d .
C3 C 0.4161(4) -0.1739(3) 0.7795(3) 0.0271(9) Uani 1 1 d .
C4 C 0.4544(5) -0.2382(3) 0.7542(3) 0.0341(10) Uani 1 1 d .
H4A H 0.4029 -0.2819 0.7413 0.041 Uiso 1 1 calc R
C5 C 0.5724(5) -0.2373(3) 0.7480(3) 0.0421(12) Uani 1 1 d .
H5A H 0.5989 -0.2811 0.7291 0.050 Uiso 1 1 calc R
C6 C 0.6518(5) -0.1755(3) 0.7682(4) 0.0433(13) Uani 1 1 d .
H6A H 0.7313 -0.1780 0.7638 0.052 Uiso 1 1 calc R
C7 C 0.6156(4) -0.1090(3) 0.7951(3) 0.0341(10) Uani 1 1 d .
C8 C 0.4963(4) -0.1095(3) 0.7992(3) 0.0278(9) Uani 1 1 d .
C9 C 0.6863(5) -0.0415(3) 0.8197(3) 0.0406(12) Uani 1 1 d .
H9A H 0.7677 -0.0382 0.8181 0.049 Uiso 1 1 calc R
C10 C 0.6395(5) 0.0185(3) 0.8456(3) 0.0394(12) Uani 1 1 d .
H10A H 0.6889 0.0630 0.8604 0.047 Uiso 1 1 calc R
C11 C 0.5187(4) 0.0173(3) 0.8514(3) 0.0319(10) Uani 1 1 d .
H11A H 0.4886 0.0594 0.8708 0.038 Uiso 1 1 calc R
C12 C 0.4481(4) -0.0475(3) 0.8276(3) 0.0266(9) Uani 1 1 d .
C13 C 0.1744(4) -0.2596(2) 0.7562(3) 0.0262(9) Uani 1 1 d .
C14 C 0.2018(5) -0.3232(3) 0.8036(3) 0.0339(10) Uani 1 1 d .
H14A H 0.2444 -0.3192 0.8605 0.041 Uiso 1 1 calc R
C15 C 0.1665(5) -0.3932(3) 0.7675(4) 0.0403(12) Uani 1 1 d .
H15A H 0.1859 -0.4373 0.7995 0.048 Uiso 1 1 calc R
C16 C 0.1039(5) -0.3980(3) 0.6860(4) 0.0420(13) Uani 1 1 d .
H16A H 0.0791 -0.4457 0.6615 0.050 Uiso 1 1 calc R
C17 C 0.0758(5) -0.3342(3) 0.6385(3) 0.0377(11) Uani 1 1 d .
H17A H 0.0328 -0.3391 0.5817 0.045 Uiso 1 1 calc R
C18 C 0.1092(4) -0.2631(3) 0.6720(3) 0.0293(9) Uani 1 1 d .
C19 C 0.0788(5) -0.1943(3) 0.6199(3) 0.0323(10) Uani 1 1 d .
H19A H 0.0742 -0.1507 0.6525 0.039 Uiso 1 1 calc R
H19B H -0.0060 -0.2007 0.5758 0.039 Uiso 1 1 calc R
C20 C 0.1765(5) -0.1768(3) 0.5823(3) 0.0354(11) Uani 1 1 d .
H20A H 0.2627 -0.1898 0.6215 0.042 Uiso 1 1 calc R
H20B H 0.1573 -0.2080 0.5337 0.042 Uiso 1 1 calc R
C21 C 0.1732(4) -0.0958(3) 0.5600(3) 0.0298(10) Uani 1 1 d .
C22 C 0.1421(5) -0.0731(3) 0.4813(3) 0.0368(11) Uani 1 1 d .
H22A H 0.1234 -0.1089 0.4394 0.044 Uiso 1 1 calc R
C23 C 0.1386(5) 0.0034(3) 0.4646(3) 0.0397(12) Uani 1 1 d .
H23A H 0.1163 0.0205 0.4110 0.048 Uiso 1 1 calc R
C24 C 0.1685(5) 0.0538(3) 0.5278(3) 0.0350(10) Uani 1 1 d .
H24A H 0.1677 0.1061 0.5181 0.042 Uiso 1 1 calc R
C25 C 0.1995(4) 0.0269(3) 0.6049(3) 0.0292(9) Uani 1 1 d .
C26 C 0.2322(5) 0.0782(3) 0.6770(3) 0.0297(9) Uani 1 1 d .
H26A H 0.2266 0.1309 0.6589 0.036 Uiso 1 1 calc R
H26B H 0.3208 0.0686 0.7150 0.036 Uiso 1 1 calc R
C27 C 0.1428(4) 0.0666(3) 0.7211(3) 0.0294(9) Uani 1 1 d .
H27A H 0.0651 0.0967 0.6937 0.035 Uiso 1 1 calc R
H27B H 0.1175 0.0132 0.7167 0.035 Uiso 1 1 calc R
C28 C 0.2010(4) 0.0880(2) 0.8086(3) 0.0258(9) Uani 1 1 d .
C29 C 0.2081(5) 0.1634(3) 0.8311(3) 0.0321(10) Uani 1 1 d .
H29A H 0.1739 0.2006 0.7906 0.039 Uiso 1 1 calc R
C30 C 0.2641(5) 0.1849(3) 0.9111(3) 0.0412(12) Uani 1 1 d .
H30A H 0.2696 0.2365 0.9250 0.049 Uiso 1 1 calc R
C31 C 0.3123(6) 0.1310(3) 0.9712(3) 0.0457(14) Uani 1 1 d .
H31A H 0.3510 0.1456 1.0261 0.055 Uiso 1 1 calc R
C32 C 0.3036(5) 0.0563(3) 0.9507(3) 0.0362(11) Uani 1 1 d .
H32A H 0.3342 0.0192 0.9915 0.043 Uiso 1 1 calc R
C33 C 0.2501(4) 0.0354(3) 0.8703(3) 0.0265(9) Uani 1 1 d .
Cl5 Cl -0.4646(5) -0.3370(4) -0.0552(4) 0.245(3) Uani 1 1 d .
Cl6 Cl -0.4011(8) -0.4221(7) 0.0901(3) 0.373(6) Uani 1 1 d .
C100 C -0.5225(9) -0.3447(5) 0.0289(5) 0.085(3) Uani 1 1 d .
H10B H -0.6116 -0.3619 0.0095 0.102 Uiso 1 1 calc R
H10C H -0.5119 -0.2973 0.0594 0.102 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'
Cl Cl 0.1484 0.1585 '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
N2 Sn1 N1 73.55(13)
N2 Sn1 Cl1 166.65(10)
N1 Sn1 Cl1 93.45(10)
N2 Sn1 Cl3 94.23(10)
N1 Sn1 Cl3 167.77(9)
Cl1 Sn1 Cl3 98.71(5)
N2 Sn1 Cl2 88.44(10)
N1 Sn1 Cl2 88.82(9)
Cl1 Sn1 Cl2 94.44(5)
Cl3 Sn1 Cl2 91.53(4)
N2 Sn1 Cl4 83.86(10)
N1 Sn1 Cl4 84.57(10)
Cl1 Sn1 Cl4 92.04(5)
Cl3 Sn1 Cl4 93.65(4)
Cl2 Sn1 Cl4 171.01(4)
C1 N1 C33 120.9(4)
C1 N1 Sn1 111.6(3)
C33 N1 Sn1 126.9(3)
C2 N2 C13 121.6(4)
C2 N2 Sn1 112.6(3)
C13 N2 Sn1 125.1(3)
C21 N3 C25 118.4(4)
N1 C1 C12 133.9(4)
N1 C1 C2 118.3(4)
C12 C1 C2 107.8(4)
N2 C2 C3 133.6(4)
N2 C2 C1 119.0(4)
C3 C2 C1 107.4(4)
C4 C3 C8 119.7(4)
C4 C3 C2 134.9(4)
C8 C3 C2 105.2(4)
C3 C4 C5 117.8(5)
C3 C4 H4A 121.1
C5 C4 H4A 121.1
C6 C5 C4 122.9(5)
C6 C5 H5A 118.6
C4 C5 H5A 118.6
C5 C6 C7 120.6(5)
C5 C6 H6A 119.7
C7 C6 H6A 119.7
C8 C7 C6 116.3(5)
C8 C7 C9 116.0(5)
C6 C7 C9 127.7(5)
C7 C8 C12 122.9(4)
C7 C8 C3 122.7(4)
C12 C8 C3 114.3(4)
C10 C9 C7 121.3(5)
C10 C9 H9A 119.4
C7 C9 H9A 119.4
C9 C10 C11 122.7(5)
C9 C10 H10A 118.7
C11 C10 H10A 118.7
C12 C11 C10 117.1(5)
C12 C11 H11A 121.4
C10 C11 H11A 121.4
C11 C12 C8 120.0(4)
C11 C12 C1 134.6(4)
C8 C12 C1 105.3(4)
C14 C13 C18 121.9(4)
C14 C13 N2 118.9(4)
C18 C13 N2 119.1(4)
C13 C14 C15 119.5(5)
C13 C14 H14A 120.3
C15 C14 H14A 120.3
C16 C15 C14 119.7(5)
C16 C15 H15A 120.2
C14 C15 H15A 120.2
C15 C16 C17 120.8(5)
C15 C16 H16A 119.6
C17 C16 H16A 119.6
C16 C17 C18 121.5(5)
C16 C17 H17A 119.3
C18 C17 H17A 119.3
C17 C18 C13 116.6(5)
C17 C18 C19 121.0(4)
C13 C18 C19 122.4(4)
C18 C19 C20 114.2(4)
C18 C19 H19A 108.7
C20 C19 H19A 108.7
C18 C19 H19B 108.7
C20 C19 H19B 108.7
H19A C19 H19B 107.6
C21 C20 C19 111.5(4)
C21 C20 H20A 109.3
C19 C20 H20A 109.3
C21 C20 H20B 109.3
C19 C20 H20B 109.3
H20A C20 H20B 108.0
N3 C21 C22 122.4(5)
N3 C21 C20 115.7(4)
C22 C21 C20 122.0(4)
C21 C22 C23 118.9(5)
C21 C22 H22A 120.5
C23 C22 H22A 120.5
C24 C23 C22 118.7(4)
C24 C23 H23A 120.7
C22 C23 H23A 120.7
C25 C24 C23 119.2(5)
C25 C24 H24A 120.4
C23 C24 H24A 120.4
N3 C25 C24 122.4(4)
N3 C25 C26 115.1(4)
C24 C25 C26 122.5(4)
C25 C26 C27 112.1(4)
C25 C26 H26A 109.2
C27 C26 H26A 109.2
C25 C26 H26B 109.2
C27 C26 H26B 109.2
H26A C26 H26B 107.9
C28 C27 C26 113.8(4)
C28 C27 H27A 108.8
C26 C27 H27A 108.8
C28 C27 H27B 108.8
C26 C27 H27B 108.8
H27A C27 H27B 107.7
C33 C28 C29 117.2(4)
C33 C28 C27 122.7(4)
C29 C28 C27 120.1(4)
C30 C29 C28 121.3(5)
C30 C29 H29A 119.3
C28 C29 H29A 119.3
C29 C30 C31 120.0(5)
C29 C30 H30A 120.0
C31 C30 H30A 120.0
C32 C31 C30 119.7(5)
C32 C31 H31A 120.1
C30 C31 H31A 120.1
C31 C32 C33 119.9(5)
C31 C32 H32A 120.1
C33 C32 H32A 120.1
C32 C33 C28 121.8(4)
C32 C33 N1 118.7(4)
C28 C33 N1 119.5(4)
Cl5 C100 Cl6 96.1(6)
Cl5 C100 H10B 112.5
Cl6 C100 H10B 112.5
Cl5 C100 H10C 112.5
Cl6 C100 H10C 112.5
H10B C100 H10C 110.1
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Sn1 N2 2.259(3)
Sn1 N1 2.291(4)
Sn1 Cl1 2.3360(12)
Sn1 Cl3 2.3742(12)
Sn1 Cl2 2.4045(13)
Sn1 Cl4 2.4268(13)
N1 C1 1.283(5)
N1 C33 1.454(6)
N2 C2 1.269(6)
N2 C13 1.442(6)
N3 C21 1.347(6)
N3 C25 1.347(6)
C1 C12 1.470(6)
C1 C2 1.502(6)
C2 C3 1.475(6)
C3 C4 1.371(7)
C3 C8 1.426(7)
C4 C5 1.406(7)
C4 H4A 0.9500
C5 C6 1.385(8)
C5 H5A 0.9500
C6 C7 1.408(8)
C6 H6A 0.9500
C7 C8 1.403(6)
C7 C9 1.421(8)
C8 C12 1.423(7)
C9 C10 1.363(8)
C9 H9A 0.9500
C10 C11 1.435(7)
C10 H10A 0.9500
C11 C12 1.380(6)
C11 H11A 0.9500
C13 C14 1.382(7)
C13 C18 1.406(7)
C14 C15 1.393(7)
C14 H14A 0.9500
C15 C16 1.362(8)
C15 H15A 0.9500
C16 C17 1.386(8)
C16 H16A 0.9500
C17 C18 1.393(7)
C17 H17A 0.9500
C18 C19 1.502(7)
C19 C20 1.559(7)
C19 H19A 0.9900
C19 H19B 0.9900
C20 C21 1.496(7)
C20 H20A 0.9900
C20 H20B 0.9900
C21 C22 1.385(7)
C22 C23 1.394(8)
C22 H22A 0.9500
C23 C24 1.386(7)
C23 H23A 0.9500
C24 C25 1.383(6)
C24 H24A 0.9500
C25 C26 1.513(6)
C26 C27 1.547(6)
C26 H26A 0.9900
C26 H26B 0.9900
C27 C28 1.504(6)
C27 H27A 0.9900
C27 H27B 0.9900
C28 C33 1.395(6)
C28 C29 1.398(6)
C29 C30 1.385(7)
C29 H29A 0.9500
C30 C31 1.392(8)
C30 H30A 0.9500
C31 C32 1.375(7)
C31 H31A 0.9500
C32 C33 1.387(6)
C32 H32A 0.9500
Cl5 C100 1.895(11)
Cl6 C100 1.963(13)
C100 H10B 0.9900
C100 H10C 0.9900
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
N2 Sn1 N1 C1 -18.0(3)
Cl1 Sn1 N1 C1 158.9(3)
Cl3 Sn1 N1 C1 -14.9(7)
Cl2 Sn1 N1 C1 -106.7(3)
Cl4 Sn1 N1 C1 67.2(3)
N2 Sn1 N1 C33 170.6(4)
Cl1 Sn1 N1 C33 -12.5(3)
Cl3 Sn1 N1 C33 173.7(3)
Cl2 Sn1 N1 C33 81.9(3)
Cl4 Sn1 N1 C33 -104.2(3)
N1 Sn1 N2 C2 18.7(3)
Cl1 Sn1 N2 C2 5.2(6)
Cl3 Sn1 N2 C2 -160.6(3)
Cl2 Sn1 N2 C2 108.0(3)
Cl4 Sn1 N2 C2 -67.4(3)
N1 Sn1 N2 C13 -170.7(4)
Cl1 Sn1 N2 C13 175.8(3)
Cl3 Sn1 N2 C13 10.0(3)
Cl2 Sn1 N2 C13 -81.5(3)
Cl4 Sn1 N2 C13 103.2(3)
C33 N1 C1 C12 8.6(7)
Sn1 N1 C1 C12 -163.4(4)
C33 N1 C1 C2 -172.3(4)
Sn1 N1 C1 C2 15.7(5)
C13 N2 C2 C3 -7.8(7)
Sn1 N2 C2 C3 163.2(4)
C13 N2 C2 C1 171.4(4)
Sn1 N2 C2 C1 -17.7(5)
N1 C1 C2 N2 1.1(6)
C12 C1 C2 N2 -179.6(4)
N1 C1 C2 C3 -179.5(4)
C12 C1 C2 C3 -0.2(5)
N2 C2 C3 C4 -4.8(9)
C1 C2 C3 C4 176.0(5)
N2 C2 C3 C8 -179.6(5)
C1 C2 C3 C8 1.2(5)
C8 C3 C4 C5 -0.7(7)
C2 C3 C4 C5 -174.9(5)
C3 C4 C5 C6 1.8(8)
C4 C5 C6 C7 -1.1(9)
C5 C6 C7 C8 -0.6(8)
C5 C6 C7 C9 178.5(5)
C6 C7 C8 C12 178.0(5)
C9 C7 C8 C12 -1.2(7)
C6 C7 C8 C3 1.6(7)
C9 C7 C8 C3 -177.6(4)
C4 C3 C8 C7 -1.0(7)
C2 C3 C8 C7 174.8(4)
C4 C3 C8 C12 -177.6(4)
C2 C3 C8 C12 -1.9(5)
C8 C7 C9 C10 0.0(8)
C6 C7 C9 C10 -179.1(5)
C7 C9 C10 C11 1.4(8)
C9 C10 C11 C12 -1.5(7)
C10 C11 C12 C8 0.3(6)
C10 C11 C12 C1 174.9(5)
C7 C8 C12 C11 1.1(7)
C3 C8 C12 C11 177.8(4)
C7 C8 C12 C1 -174.9(4)
C3 C8 C12 C1 1.8(5)
N1 C1 C12 C11 3.2(9)
C2 C1 C12 C11 -176.0(5)
N1 C1 C12 C8 178.3(5)
C2 C1 C12 C8 -0.9(5)
C2 N2 C13 C14 99.7(5)
Sn1 N2 C13 C14 -70.0(5)
C2 N2 C13 C18 -83.3(5)
Sn1 N2 C13 C18 106.9(4)
C18 C13 C14 C15 1.3(7)
N2 C13 C14 C15 178.2(4)
C13 C14 C15 C16 -0.9(7)
C14 C15 C16 C17 0.6(8)
C15 C16 C17 C18 -0.7(8)
C16 C17 C18 C13 1.0(7)
C16 C17 C18 C19 179.8(4)
C14 C13 C18 C17 -1.3(7)
N2 C13 C18 C17 -178.2(4)
C14 C13 C18 C19 179.9(4)
N2 C13 C18 C19 3.0(6)
C17 C18 C19 C20 -82.9(6)
C13 C18 C19 C20 95.8(5)
C18 C19 C20 C21 -157.2(4)
C25 N3 C21 C22 1.6(7)
C25 N3 C21 C20 -178.7(4)
C19 C20 C21 N3 61.8(5)
C19 C20 C21 C22 -118.6(5)
N3 C21 C22 C23 -1.6(8)
C20 C21 C22 C23 178.8(5)
C21 C22 C23 C24 1.0(8)
C22 C23 C24 C25 -0.6(8)
C21 N3 C25 C24 -1.2(7)
C21 N3 C25 C26 179.0(4)
C23 C24 C25 N3 0.8(7)
C23 C24 C25 C26 -179.5(5)
N3 C25 C26 C27 -58.6(5)
C24 C25 C26 C27 121.6(5)
C25 C26 C27 C28 154.4(4)
C26 C27 C28 C33 -100.9(5)
C26 C27 C28 C29 78.7(5)
C33 C28 C29 C30 1.3(7)
C27 C28 C29 C30 -178.3(5)
C28 C29 C30 C31 -1.3(8)
C29 C30 C31 C32 -0.2(9)
C30 C31 C32 C33 1.8(9)
C31 C32 C33 C28 -1.8(8)
C31 C32 C33 N1 178.8(5)
C29 C28 C33 C32 0.3(7)
C27 C28 C33 C32 179.9(4)
C29 C28 C33 N1 179.6(4)
C27 C28 C33 N1 -0.8(6)
C1 N1 C33 C32 -98.3(5)
Sn1 N1 C33 C32 72.3(5)
C1 N1 C33 C28 82.3(5)
Sn1 N1 C33 C28 -107.1(4)
