data_m24182 
 
_audit_creation_method            'SHELXL-2019/3' 
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2022). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record              ? 
 
_shelx_SHELXL_version_number      '2019/3' 
 
_publ_section_exptl_refinement 
; 
H atoms were found in difference Fourier maps, but subsequently included 
in the refinement using riding models, with constrained distances set to 
0.95 Å (Cₛₚ₂H) and 0.98 Å (RCH₃).  Uiso(H) parameters were set 
to values of either 1.2Ueq or 1.5Ueq (RCH₃ only) of the attached 
atom. 
 
The crystal was twinned by non-merohedry, which was handled using regular 
SHELXL methods (HKLF 5 format *.hkl file, the BASF command, and MERG 0). 
For a concise description of different twin types, see Parkin (2021). 
; 
 
_publ_section_references 
; 
Bruker-AXS (2023). 
  APEX5 Bruker-AXS Inc., Madison, WI, USA. 
 
Hope, H. (1994). 
  Prog. Inorg. Chem. 41, 1--19. 
 
Parkin, S. & Hope, H. (1998). 
  J. Appl. Cryst. 31, 945--953. 
 
Parkin, S. (2000). 
  Acta Cryst. A56, 157--162. 
 
Parkin, S. (2013). 
  CIFFIX, https://xray.uky.edu/Resources/scripts/ciffix 
 
Parkin, S.R. (2021). 
  Acta Cryst. E77, 452--465. 
 
Sheldrick, G.M. (2008). 
  Acta Cryst. A64, 112--122. 
 
Sheldrick, G.M. (2012). 
  TWINABS Bruker, Madison, Wisconsin. 
 
Sheldrick, G.M. (2015a). 
  Acta Cryst. A71, 3--8. 
 
Sheldrick, G.M. (2015b). 
  Acta Cryst. C71, 3--8. 
 
Spek, A.L. (2020). 
  Acta Cryst. E76, 1--11. 
 
Westrip, S.P. (2010). 
  J. Appl. Cryst. 43, 920--925. 
; 
 
_publ_section_acknowledgements 
; 
The D8 Venture diffractometer was funded by the NSF (MRI CHE1625732), 
and by the University of Kentucky. 
; 
 
_chemical_name_systematic         ? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C25 H25 N5 O2 Sn' 
_chemical_formula_sum             'C25 H25 N5 O2 Sn' 
_chemical_formula_weight          546.19 
 
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' 
 
_space_group_crystal_system       monoclinic 
_space_group_IT_number            14 
_space_group_name_H-M_alt         'P 21/n' 
_space_group_name_Hall            '-P 2yn' 
 
_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. 
; 
 
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 
_cell_length_a                    10.8801(5) 
_cell_length_b                    9.5421(4) 
_cell_length_c                    22.9206(10) 
_cell_angle_alpha                 90 
_cell_angle_beta                  102.745(2) 
_cell_angle_gamma                 90 
_cell_volume                      2320.96(18) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     100.0(2) 
_cell_measurement_reflns_used     9852 
_cell_measurement_theta_min       2.81 
_cell_measurement_theta_max       27.50 
 
_exptl_crystal_description        'cut block' 
_exptl_crystal_colour             yellow 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     1.563 
_exptl_crystal_F_000              1104 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           0.190 
_exptl_crystal_size_mid           0.170 
_exptl_crystal_size_min           0.160 
_exptl_absorpt_coefficient_mu     1.133 
_shelx_estimated_absorpt_T_min    0.813 
_shelx_estimated_absorpt_T_max    0.839 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.750 
_exptl_absorpt_correction_T_max   0.871 
_exptl_absorpt_process_details    'TWINABS (Sheldrick, 2012)' 
_exptl_absorpt_special_details 
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount, scan truncation etc. These account, by and large, for the difference 
between SHELX estimates of Tmin and Tmax and the _exptl_absorpt_correction_ 
values. 
; 
 
_exptl_special_details 
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 100K. 
; 
 
_diffrn_ambient_temperature       100.0(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_source                    'microsource' 
_diffrn_measurement_device_type   'Bruker D8 Venture dual source' 
_diffrn_measurement_method        'φ and ω scans' 
_diffrn_detector_area_resol_mean  7.41 
_diffrn_reflns_number             5324 
_diffrn_reflns_av_unetI/netI      1.2915 
_diffrn_reflns_av_R_equivalents   ? 
_diffrn_reflns_limit_h_min        -14 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        12 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        29 
_diffrn_reflns_theta_min          1.934 
_diffrn_reflns_theta_max          27.515 
_diffrn_reflns_theta_full         25.242 
_diffrn_measured_fraction_theta_max                0.997 
_diffrn_measured_fraction_theta_full               0.999 
_diffrn_reflns_Laue_measured_fraction_max          0.997 
_diffrn_reflns_Laue_measured_fraction_full         0.999 
_diffrn_reflns_point_group_measured_fraction_max   0.997 
_diffrn_reflns_point_group_measured_fraction_full  0.999 
 
_reflns_number_total              5324 
_reflns_number_gt                 4902 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
_reflns_special_details 
; 
_reflns_Friedel_fraction is defined as the number of unique 
Friedel pairs measured divided by the number that would be 
possible theoretically, ignoring centric projections and 
systematic absences.  Completness statistics refer to single and 
 composite reflections containing twin component 1 only. 
; 
 
_computing_data_collection        'APEX5 (Bruker-AXS, 2023)' 
_computing_cell_refinement        'APEX5 (Bruker-AXS, 2023)' 
_computing_data_reduction         'APEX5 (Bruker-AXS, 2023)' 
_computing_structure_solution     'SHELXT (Sheldrick, 2015a)' 
_computing_structure_refinement   'SHELXL-2019/2 (Sheldrick, 2015b)' 
_computing_molecular_graphics     'XP in SHELXTL (Sheldrick, 2008)' 
_computing_publication_material 
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)' 
 
_refine_special_details 
; 
Refined as a 2-component twin. 
; 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.0146P)²+1.7347P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    difmap 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        . 
_refine_ls_number_reflns          5324 
_refine_ls_number_parameters      303 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0384 
_refine_ls_R_factor_gt            0.0335 
_refine_ls_wR_factor_ref          0.0765 
_refine_ls_wR_factor_gt           0.0739 
_refine_ls_goodness_of_fit_ref    1.106 
_refine_ls_restrained_S_all       1.106 
_refine_ls_shift/su_max           0.002 
_refine_ls_shift/su_mean          0.000 
 
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 
Sn1 Sn 0.54992(2) 0.34241(2) 0.68482(2) 0.01523(7) Uani 1 1 d . . . . . 
O1 O 0.6476(2) 0.1767(2) 0.63994(10) 0.0234(5) Uani 1 1 d . . . . . 
O2 O 0.5145(2) 0.1774(2) 0.75072(10) 0.0219(5) Uani 1 1 d . . . . . 
N1 N 0.6677(3) 0.3425(3) 0.56768(11) 0.0176(5) Uani 1 1 d . . . . . 
N2 N 0.6163(2) 0.4335(3) 0.60236(10) 0.0162(5) Uani 1 1 d . . . . . 
N3 N 0.5067(2) 0.5856(2) 0.67020(11) 0.0158(5) Uani 1 1 d . . . . . 
N4 N 0.4439(2) 0.4366(3) 0.75386(11) 0.0165(5) Uani 1 1 d . . . . . 
N5 N 0.4158(3) 0.3497(3) 0.79682(11) 0.0182(5) Uani 1 1 d . . . . . 
C1 C 0.6790(3) 0.2164(3) 0.59203(13) 0.0177(6) Uani 1 1 d . . . . . 
C2 C 0.7403(3) 0.1111(3) 0.55928(14) 0.0184(6) Uani 1 1 d . . . . . 
C3 C 0.8145(3) 0.0054(3) 0.59031(15) 0.0228(7) Uani 1 1 d . . . . . 
H3 H 0.822092 -0.003809 0.632219 0.027 Uiso 1 1 calc R U . . . 
C4 C 0.8779(3) -0.0870(4) 0.56059(16) 0.0269(7) Uani 1 1 d . . . . . 
H4 H 0.930823 -0.157269 0.582323 0.032 Uiso 1 1 calc R U . . . 
C5 C 0.8639(3) -0.0769(4) 0.49924(16) 0.0276(8) Uani 1 1 d . . . . . 
H5 H 0.906847 -0.140420 0.478798 0.033 Uiso 1 1 calc R U . . . 
C6 C 0.7873(3) 0.0258(3) 0.46773(14) 0.0282(7) Uani 1 1 d . . . . . 
H6 H 0.775995 0.031126 0.425485 0.034 Uiso 1 1 calc R U . . . 
C7 C 0.7269(3) 0.1213(4) 0.49757(14) 0.0230(7) Uani 1 1 d . . . . . 
H7 H 0.676540 0.193601 0.475918 0.028 Uiso 1 1 calc R U . . . 
C8 C 0.6052(3) 0.5645(3) 0.58743(13) 0.0175(6) Uani 1 1 d . . . . . 
C9 C 0.6430(4) 0.6244(4) 0.53367(14) 0.0264(7) Uani 1 1 d . . . . . 
H9A H 0.569355 0.666689 0.507112 0.040 Uiso 1 1 calc R U . . . 
H9B H 0.676595 0.549662 0.512336 0.040 Uiso 1 1 calc R U . . . 
H9C H 0.707861 0.696169 0.546356 0.040 Uiso 1 1 calc R U . . . 
C10 C 0.5482(3) 0.6531(3) 0.62726(13) 0.0173(6) Uani 1 1 d . . . . . 
C11 C 0.5385(3) 0.7991(3) 0.62195(14) 0.0205(7) Uani 1 1 d . . . . . 
H11 H 0.568175 0.847317 0.591503 0.025 Uiso 1 1 calc R U . . . 
C12 C 0.4841(3) 0.8715(3) 0.66246(15) 0.0220(7) Uani 1 1 d . . . . . 
H12 H 0.478080 0.970800 0.660352 0.026 Uiso 1 1 calc R U . . . 
C13 C 0.4392(3) 0.8008(3) 0.70540(14) 0.0206(7) Uani 1 1 d . . . . . 
H13 H 0.399802 0.849861 0.732380 0.025 Uiso 1 1 calc R U . . . 
C14 C 0.4524(3) 0.6547(3) 0.70883(13) 0.0173(6) Uani 1 1 d . . . . . 
C15 C 0.4122(3) 0.5674(3) 0.75430(13) 0.0187(6) Uani 1 1 d . . . . . 
C16 C 0.3446(3) 0.6270(3) 0.79851(15) 0.0242(7) Uani 1 1 d . . . . . 
H16A H 0.309644 0.718776 0.784540 0.036 Uiso 1 1 calc R U . . . 
H16B H 0.403639 0.637651 0.837283 0.036 Uiso 1 1 calc R U . . . 
H16C H 0.276160 0.563829 0.802794 0.036 Uiso 1 1 calc R U . . . 
C17 C 0.4595(3) 0.2203(3) 0.79156(13) 0.0173(6) Uani 1 1 d . . . . . 
C18 C 0.4436(3) 0.1223(3) 0.83971(14) 0.0176(6) Uani 1 1 d . . . . . 
C19 C 0.5158(3) 0.0011(3) 0.85025(14) 0.0238(7) Uani 1 1 d . . . . . 
H19 H 0.571084 -0.022349 0.824926 0.029 Uiso 1 1 calc R U . . . 
C20 C 0.5073(3) -0.0859(4) 0.89784(15) 0.0263(7) Uani 1 1 d . . . . . 
H20 H 0.558419 -0.167416 0.905476 0.032 Uiso 1 1 calc R U . . . 
C21 C 0.4256(3) -0.0550(4) 0.93388(14) 0.0251(7) Uani 1 1 d . . . . . 
H21 H 0.419145 -0.115939 0.965824 0.030 Uiso 1 1 calc R U . . . 
C22 C 0.3525(3) 0.0655(3) 0.92362(15) 0.0260(7) Uani 1 1 d . . . . . 
H22 H 0.296476 0.087459 0.948766 0.031 Uiso 1 1 calc R U . . . 
C23 C 0.3612(3) 0.1533(3) 0.87697(14) 0.0217(7) Uani 1 1 d . . . . . 
H23 H 0.310798 0.235539 0.870041 0.026 Uiso 1 1 calc R U . . . 
C24 C 0.3772(3) 0.2832(3) 0.62704(13) 0.0207(6) Uani 1 1 d . . . . . 
H24A H 0.307434 0.332582 0.638778 0.031 Uiso 1 1 calc R U . . . 
H24B H 0.365185 0.181848 0.629921 0.031 Uiso 1 1 calc R U . . . 
H24C H 0.379182 0.307820 0.585751 0.031 Uiso 1 1 calc R U . . . 
C25 C 0.7261(3) 0.3844(4) 0.74310(14) 0.0258(7) Uani 1 1 d . . . . . 
H25A H 0.748067 0.483166 0.739626 0.039 Uiso 1 1 calc R U . . . 
H25B H 0.791080 0.324985 0.732223 0.039 Uiso 1 1 calc R U . . . 
H25C H 0.720716 0.364370 0.784393 0.039 Uiso 1 1 calc R U . . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Sn1 C25 2.119(3) . ? 
Sn1 C24 2.123(3) . ? 
Sn1 O2 2.273(2) . ? 
Sn1 O1 2.273(2) . ? 
Sn1 N4 2.334(2) . ? 
Sn1 N2 2.335(2) . ? 
Sn1 N3 2.377(2) . ? 
O1 C1 1.277(4) . ? 
O2 C17 1.284(4) . ? 
N1 C1 1.321(4) . ? 
N1 N2 1.376(3) . ? 
N2 C8 1.295(4) . ? 
N3 C10 1.336(4) . ? 
N3 C14 1.341(4) . ? 
N4 C15 1.295(4) . ? 
N4 N5 1.373(3) . ? 
N5 C17 1.338(4) . ? 
C1 C2 1.497(4) . ? 
C2 C3 1.386(5) . ? 
C2 C7 1.393(4) . ? 
C3 C4 1.387(5) . ? 
C3 H3 0.9500 . ? 
C4 C5 1.384(5) . ? 
C4 H4 0.9500 . ? 
C5 C6 1.382(5) . ? 
C5 H5 0.9500 . ? 
C6 C7 1.389(5) . ? 
C6 H6 0.9500 . ? 
C7 H7 0.9500 . ? 
C8 C10 1.477(4) . ? 
C8 C9 1.496(4) . ? 
C9 H9A 0.9800 . ? 
C9 H9B 0.9800 . ? 
C9 H9C 0.9800 . ? 
C10 C11 1.400(4) . ? 
C11 C12 1.390(5) . ? 
C11 H11 0.9500 . ? 
C12 C13 1.369(5) . ? 
C12 H12 0.9500 . ? 
C13 C14 1.402(4) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.474(4) . ? 
C15 C16 1.490(4) . ? 
C16 H16A 0.9800 . ? 
C16 H16B 0.9800 . ? 
C16 H16C 0.9800 . ? 
C17 C18 1.485(4) . ? 
C18 C19 1.389(5) . ? 
C18 C23 1.400(4) . ? 
C19 C20 1.390(5) . ? 
C19 H19 0.9500 . ? 
C20 C21 1.372(5) . ? 
C20 H20 0.9500 . ? 
C21 C22 1.389(5) . ? 
C21 H21 0.9500 . ? 
C22 C23 1.378(4) . ? 
C22 H22 0.9500 . ? 
C23 H23 0.9500 . ? 
C24 H24A 0.9800 . ? 
C24 H24B 0.9800 . ? 
C24 H24C 0.9800 . ? 
C25 H25A 0.9800 . ? 
C25 H25B 0.9800 . ? 
C25 H25C 0.9800 . ? 
 
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 
 _geom_angle_publ_flag 
C25 Sn1 C24 175.44(12) . . ? 
C25 Sn1 O2 88.53(11) . . ? 
C24 Sn1 O2 88.49(10) . . ? 
C25 Sn1 O1 88.20(11) . . ? 
C24 Sn1 O1 88.31(11) . . ? 
O2 Sn1 O1 89.06(7) . . ? 
C25 Sn1 N4 90.77(11) . . ? 
C24 Sn1 N4 91.36(11) . . ? 
O2 Sn1 N4 68.57(8) . . ? 
O1 Sn1 N4 157.63(8) . . ? 
C25 Sn1 N2 92.39(11) . . ? 
C24 Sn1 N2 89.05(10) . . ? 
O2 Sn1 N2 157.50(8) . . ? 
O1 Sn1 N2 68.52(8) . . ? 
N4 Sn1 N2 133.85(8) . . ? 
C25 Sn1 N3 91.58(11) . . ? 
C24 Sn1 N3 92.96(10) . . ? 
O2 Sn1 N3 135.46(8) . . ? 
O1 Sn1 N3 135.47(8) . . ? 
N4 Sn1 N3 66.89(9) . . ? 
N2 Sn1 N3 67.00(9) . . ? 
C1 O1 Sn1 115.02(19) . . ? 
C17 O2 Sn1 115.99(19) . . ? 
C1 N1 N2 110.0(2) . . ? 
C8 N2 N1 118.8(2) . . ? 
C8 N2 Sn1 123.1(2) . . ? 
N1 N2 Sn1 118.07(18) . . ? 
C10 N3 C14 121.3(2) . . ? 
C10 N3 Sn1 119.1(2) . . ? 
C14 N3 Sn1 119.28(19) . . ? 
C15 N4 N5 118.3(3) . . ? 
C15 N4 Sn1 123.3(2) . . ? 
N5 N4 Sn1 118.37(18) . . ? 
C17 N5 N4 110.7(2) . . ? 
O1 C1 N1 128.0(3) . . ? 
O1 C1 C2 117.7(3) . . ? 
N1 C1 C2 114.2(3) . . ? 
C3 C2 C7 119.4(3) . . ? 
C3 C2 C1 120.3(3) . . ? 
C7 C2 C1 120.3(3) . . ? 
C2 C3 C4 120.5(3) . . ? 
C2 C3 H3 119.8 . . ? 
C4 C3 H3 119.8 . . ? 
C5 C4 C3 119.9(3) . . ? 
C5 C4 H4 120.0 . . ? 
C3 C4 H4 120.0 . . ? 
C6 C5 C4 120.0(3) . . ? 
C6 C5 H5 120.0 . . ? 
C4 C5 H5 120.0 . . ? 
C5 C6 C7 120.3(3) . . ? 
C5 C6 H6 119.9 . . ? 
C7 C6 H6 119.9 . . ? 
C6 C7 C2 120.0(3) . . ? 
C6 C7 H7 120.0 . . ? 
C2 C7 H7 120.0 . . ? 
N2 C8 C10 114.6(3) . . ? 
N2 C8 C9 124.1(3) . . ? 
C10 C8 C9 121.3(3) . . ? 
C8 C9 H9A 109.5 . . ? 
C8 C9 H9B 109.5 . . ? 
H9A C9 H9B 109.5 . . ? 
C8 C9 H9C 109.5 . . ? 
H9A C9 H9C 109.5 . . ? 
H9B C9 H9C 109.5 . . ? 
N3 C10 C11 120.8(3) . . ? 
N3 C10 C8 115.8(3) . . ? 
C11 C10 C8 123.4(3) . . ? 
C12 C11 C10 118.2(3) . . ? 
C12 C11 H11 120.9 . . ? 
C10 C11 H11 120.9 . . ? 
C13 C12 C11 120.5(3) . . ? 
C13 C12 H12 119.8 . . ? 
C11 C12 H12 119.8 . . ? 
C12 C13 C14 118.8(3) . . ? 
C12 C13 H13 120.6 . . ? 
C14 C13 H13 120.6 . . ? 
N3 C14 C13 120.4(3) . . ? 
N3 C14 C15 115.6(3) . . ? 
C13 C14 C15 124.0(3) . . ? 
N4 C15 C14 114.7(3) . . ? 
N4 C15 C16 123.1(3) . . ? 
C14 C15 C16 122.2(3) . . ? 
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 . . ? 
O2 C17 N5 126.3(3) . . ? 
O2 C17 C18 119.4(3) . . ? 
N5 C17 C18 114.3(3) . . ? 
C19 C18 C23 118.9(3) . . ? 
C19 C18 C17 120.0(3) . . ? 
C23 C18 C17 121.0(3) . . ? 
C18 C19 C20 120.0(3) . . ? 
C18 C19 H19 120.0 . . ? 
C20 C19 H19 120.0 . . ? 
C21 C20 C19 120.6(3) . . ? 
C21 C20 H20 119.7 . . ? 
C19 C20 H20 119.7 . . ? 
C20 C21 C22 119.9(3) . . ? 
C20 C21 H21 120.0 . . ? 
C22 C21 H21 120.0 . . ? 
C23 C22 C21 120.0(3) . . ? 
C23 C22 H22 120.0 . . ? 
C21 C22 H22 120.0 . . ? 
C22 C23 C18 120.5(3) . . ? 
C22 C23 H23 119.7 . . ? 
C18 C23 H23 119.7 . . ? 
Sn1 C24 H24A 109.5 . . ? 
Sn1 C24 H24B 109.5 . . ? 
H24A C24 H24B 109.5 . . ? 
Sn1 C24 H24C 109.5 . . ? 
H24A C24 H24C 109.5 . . ? 
H24B C24 H24C 109.5 . . ? 
Sn1 C25 H25A 109.5 . . ? 
Sn1 C25 H25B 109.5 . . ? 
H25A C25 H25B 109.5 . . ? 
Sn1 C25 H25C 109.5 . . ? 
H25A C25 H25C 109.5 . . ? 
H25B C25 H25C 109.5 . . ? 
 
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 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
C1 N1 N2 C8 175.8(3) . . . . ? 
C1 N1 N2 Sn1 -5.2(3) . . . . ? 
C15 N4 N5 C17 -177.4(3) . . . . ? 
Sn1 N4 N5 C17 1.5(3) . . . . ? 
Sn1 O1 C1 N1 4.0(4) . . . . ? 
Sn1 O1 C1 C2 -178.3(2) . . . . ? 
N2 N1 C1 O1 0.8(5) . . . . ? 
N2 N1 C1 C2 -177.0(3) . . . . ? 
O1 C1 C2 C3 -30.8(4) . . . . ? 
N1 C1 C2 C3 147.2(3) . . . . ? 
O1 C1 C2 C7 151.4(3) . . . . ? 
N1 C1 C2 C7 -30.5(4) . . . . ? 
C7 C2 C3 C4 1.8(5) . . . . ? 
C1 C2 C3 C4 -176.0(3) . . . . ? 
C2 C3 C4 C5 -2.1(5) . . . . ? 
C3 C4 C5 C6 0.3(5) . . . . ? 
C4 C5 C6 C7 1.7(5) . . . . ? 
C5 C6 C7 C2 -2.0(5) . . . . ? 
C3 C2 C7 C6 0.2(5) . . . . ? 
C1 C2 C7 C6 178.0(3) . . . . ? 
N1 N2 C8 C10 179.6(3) . . . . ? 
Sn1 N2 C8 C10 0.6(4) . . . . ? 
N1 N2 C8 C9 1.1(5) . . . . ? 
Sn1 N2 C8 C9 -177.8(2) . . . . ? 
C14 N3 C10 C11 1.3(4) . . . . ? 
Sn1 N3 C10 C11 -172.1(2) . . . . ? 
C14 N3 C10 C8 -179.5(3) . . . . ? 
Sn1 N3 C10 C8 7.1(3) . . . . ? 
N2 C8 C10 N3 -5.1(4) . . . . ? 
C9 C8 C10 N3 173.4(3) . . . . ? 
N2 C8 C10 C11 174.1(3) . . . . ? 
C9 C8 C10 C11 -7.4(5) . . . . ? 
N3 C10 C11 C12 -0.2(5) . . . . ? 
C8 C10 C11 C12 -179.3(3) . . . . ? 
C10 C11 C12 C13 -1.4(4) . . . . ? 
C11 C12 C13 C14 1.9(4) . . . . ? 
C10 N3 C14 C13 -0.8(4) . . . . ? 
Sn1 N3 C14 C13 172.6(2) . . . . ? 
C10 N3 C14 C15 -179.4(3) . . . . ? 
Sn1 N3 C14 C15 -6.0(3) . . . . ? 
C12 C13 C14 N3 -0.8(5) . . . . ? 
C12 C13 C14 C15 177.7(3) . . . . ? 
N5 N4 C15 C14 176.7(3) . . . . ? 
Sn1 N4 C15 C14 -2.1(4) . . . . ? 
N5 N4 C15 C16 -1.2(5) . . . . ? 
Sn1 N4 C15 C16 -180.0(2) . . . . ? 
N3 C14 C15 N4 5.3(4) . . . . ? 
C13 C14 C15 N4 -173.3(3) . . . . ? 
N3 C14 C15 C16 -176.9(3) . . . . ? 
C13 C14 C15 C16 4.6(5) . . . . ? 
Sn1 O2 C17 N5 3.8(4) . . . . ? 
Sn1 O2 C17 C18 -174.3(2) . . . . ? 
N4 N5 C17 O2 -3.5(5) . . . . ? 
N4 N5 C17 C18 174.7(3) . . . . ? 
O2 C17 C18 C19 17.6(5) . . . . ? 
N5 C17 C18 C19 -160.8(3) . . . . ? 
O2 C17 C18 C23 -165.7(3) . . . . ? 
N5 C17 C18 C23 16.0(4) . . . . ? 
C23 C18 C19 C20 -1.2(5) . . . . ? 
C17 C18 C19 C20 175.6(3) . . . . ? 
C18 C19 C20 C21 1.6(5) . . . . ? 
C19 C20 C21 C22 -1.3(5) . . . . ? 
C20 C21 C22 C23 0.6(5) . . . . ? 
C21 C22 C23 C18 -0.2(5) . . . . ? 
C19 C18 C23 C22 0.5(5) . . . . ? 
C17 C18 C23 C22 -176.3(3) . . . . ? 
 
_refine_diff_density_max    1.644 
_refine_diff_density_min   -0.472 
_refine_diff_density_rms    0.100 
 
 

