data_c24035 
 
_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), 0.98 Å (RCH₃) and 0.99 Å (R₂CH₂).  Uiso(H) 
parameters were set to values of either 1.2Ueq or 1.5Ueq (RCH₃ only) 
of the attached atom. 
; 
 
_publ_section_references 
; 
Bruker-AXS (2023). 
  APEX5 Bruker-AXS Inc., Madison, WI, USA. 
 
Hope, H. (1994). 
  Prog. Inorg. Chem. 41, 1--19. 
 
Krause, L., Herbst-Irmer, R., Sheldrick, G.M. & Stalke, D. (2015). 
  J. Appl. Cryst. 48, 3--10. 
 
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 
 
Sheldrick, G.M. (2008). 
  Acta Cryst. A64, 112--122. 
 
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          'C37 H33 N5 O2 Sn' 
_chemical_formula_sum             'C37 H33 N5 O2 Sn' 
_chemical_formula_weight          698.37 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0181   0.0091 
 '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'   0.0311   0.0180 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0492   0.0322 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Sn'  'Sn'   0.0259   5.4591 
 '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                    9.3459(2) 
_cell_length_b                    10.8107(3) 
_cell_length_c                    31.3247(7) 
_cell_angle_alpha                 90 
_cell_angle_beta                  97.895(1) 
_cell_angle_gamma                 90 
_cell_volume                      3134.91(13) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     100.0(2) 
_cell_measurement_reflns_used     9715 
_cell_measurement_theta_min       5.96 
_cell_measurement_theta_max       74.84 
 
_exptl_crystal_description        wedge 
_exptl_crystal_colour             yellow-orange 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     1.480 
_exptl_crystal_F_000              1424 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           0.200 
_exptl_crystal_size_mid           0.190 
_exptl_crystal_size_min           0.120 
_exptl_absorpt_coefficient_mu     6.816 
_shelx_estimated_absorpt_T_min    0.343 
_shelx_estimated_absorpt_T_max    0.495 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.356 
_exptl_absorpt_correction_T_max   0.553 
_exptl_absorpt_process_details    'SADABS (Krause et al., 2015)' 
_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      1.54178 
_diffrn_radiation_type            CuK\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             44468 
_diffrn_reflns_av_unetI/netI      0.0278 
_diffrn_reflns_av_R_equivalents   0.0354 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -13 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -37 
_diffrn_reflns_limit_l_max        39 
_diffrn_reflns_theta_min          4.331 
_diffrn_reflns_theta_max          74.899 
_diffrn_reflns_theta_full         67.679 
_diffrn_measured_fraction_theta_max                0.990 
_diffrn_measured_fraction_theta_full               0.992 
_diffrn_reflns_Laue_measured_fraction_max          0.990 
_diffrn_reflns_Laue_measured_fraction_full         0.992 
_diffrn_reflns_point_group_measured_fraction_max   0.990 
_diffrn_reflns_point_group_measured_fraction_full  0.992 
 
_reflns_number_total              6388 
_reflns_number_gt                 6235 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
_reflns_special_details 
; 
Reflections were merged by SHELXL according to the crystal 
class for the calculation of statistics and refinement. 
 
_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. 
; 
 
_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 
; 
Refinement progress was checked using Platon (Spek, 2020) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF. 
; 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.0248P)²+1.9630P] 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      'SHELXL-2019/2 (Sheldrick 2019)' 
_refine_ls_extinction_coef        0.00056(6) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          6388 
_refine_ls_number_parameters      409 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0228 
_refine_ls_R_factor_gt            0.0220 
_refine_ls_wR_factor_ref          0.0578 
_refine_ls_wR_factor_gt           0.0543 
_refine_ls_goodness_of_fit_ref    1.097 
_refine_ls_restrained_S_all       1.097 
_refine_ls_shift/su_max           0.001 
_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 0.27374(2) 0.30315(2) 0.63157(2) 0.01139(5) Uani 1 1 d . . . . . 
O1 O 0.47964(13) 0.24677(12) 0.67490(4) 0.0158(3) Uani 1 1 d . . . . . 
O2 O 0.37749(14) 0.24522(13) 0.57490(4) 0.0190(3) Uani 1 1 d . . . . . 
N1 N 0.39056(15) 0.34451(14) 0.73245(5) 0.0139(3) Uani 1 1 d . . . . . 
N2 N 0.26437(15) 0.35257(14) 0.70405(5) 0.0127(3) Uani 1 1 d . . . . . 
N3 N 0.04827(15) 0.38101(13) 0.64362(5) 0.0125(3) Uani 1 1 d . . . . . 
N4 N 0.11901(16) 0.33189(14) 0.56816(5) 0.0134(3) Uani 1 1 d . . . . . 
N5 N 0.17189(17) 0.31194(14) 0.53006(5) 0.0151(3) Uani 1 1 d . . . . . 
C1 C 0.49218(19) 0.28701(16) 0.71334(6) 0.0128(3) Uani 1 1 d . . . . . 
C2 C 0.63214(18) 0.26850(16) 0.74218(6) 0.0136(3) Uani 1 1 d . . . . . 
C3 C 0.7317(2) 0.18236(17) 0.73078(6) 0.0165(4) Uani 1 1 d . . . . . 
H3 H 0.711615 0.137612 0.704538 0.020 Uiso 1 1 calc R U . . . 
C4 C 0.8607(2) 0.16221(18) 0.75800(7) 0.0196(4) Uani 1 1 d . . . . . 
H4 H 0.927771 0.102805 0.750417 0.023 Uiso 1 1 calc R U . . . 
C5 C 0.8916(2) 0.22845(18) 0.79609(6) 0.0188(4) Uani 1 1 d . . . . . 
H5 H 0.979647 0.214427 0.814514 0.023 Uiso 1 1 calc R U . . . 
C6 C 0.7936(2) 0.31537(17) 0.80724(6) 0.0181(4) Uani 1 1 d . . . . . 
H6 H 0.815071 0.361380 0.833162 0.022 Uiso 1 1 calc R U . . . 
C7 C 0.66431(19) 0.33499(17) 0.78053(6) 0.0150(3) Uani 1 1 d . . . . . 
H7 H 0.597288 0.394019 0.788384 0.018 Uiso 1 1 calc R U . . . 
C8 C 0.15229(18) 0.40254(16) 0.71722(6) 0.0135(3) Uani 1 1 d . . . . . 
C9 C 0.1483(2) 0.45483(19) 0.76084(6) 0.0192(4) Uani 1 1 d . . . . . 
H9A H 0.072794 0.413268 0.774335 0.029 Uiso 1 1 calc R U . . . 
H9B H 0.127313 0.543582 0.758464 0.029 Uiso 1 1 calc R U . . . 
H9C H 0.242076 0.442196 0.778512 0.029 Uiso 1 1 calc R U . . . 
C10 C 0.02445(18) 0.40993(16) 0.68338(6) 0.0130(3) Uani 1 1 d . . . . . 
C11 C -0.11191(19) 0.44649(17) 0.69207(6) 0.0176(4) Uani 1 1 d . . . . . 
H11 H -0.128094 0.467633 0.720456 0.021 Uiso 1 1 calc R U . . . 
C12 C -0.2231(2) 0.45088(19) 0.65777(6) 0.0208(4) Uani 1 1 d . . . . . 
H12 H -0.317511 0.473843 0.662757 0.025 Uiso 1 1 calc R U . . . 
C13 C -0.19786(19) 0.42222(18) 0.61652(6) 0.0184(4) Uani 1 1 d . . . . . 
H13 H -0.273748 0.425723 0.593028 0.022 Uiso 1 1 calc R U . . . 
C14 C -0.05842(18) 0.38797(16) 0.61006(6) 0.0133(3) Uani 1 1 d . . . . . 
C15 C -0.01586(19) 0.35993(16) 0.56767(6) 0.0143(3) Uani 1 1 d . . . . . 
C16 C -0.1216(2) 0.3677(2) 0.52747(6) 0.0229(4) Uani 1 1 d . . . . . 
H16A H -0.214274 0.332678 0.532777 0.034 Uiso 1 1 calc R U . . . 
H16B H -0.084851 0.321074 0.504449 0.034 Uiso 1 1 calc R U . . . 
H16C H -0.135179 0.454477 0.518793 0.034 Uiso 1 1 calc R U . . . 
C17 C 0.3069(2) 0.27016(16) 0.53791(6) 0.0150(3) Uani 1 1 d . . . . . 
C18 C 0.38152(19) 0.25040(17) 0.49919(6) 0.0156(4) Uani 1 1 d . . . . . 
C19 C 0.5099(2) 0.18323(18) 0.50361(7) 0.0208(4) Uani 1 1 d . . . . . 
H19 H 0.549354 0.152065 0.531076 0.025 Uiso 1 1 calc R U . . . 
C20 C 0.5805(2) 0.1615(2) 0.46818(7) 0.0256(4) Uani 1 1 d . . . . . 
H20 H 0.667165 0.114458 0.471330 0.031 Uiso 1 1 calc R U . . . 
C21 C 0.5249(2) 0.20841(19) 0.42831(7) 0.0231(4) Uani 1 1 d . . . . . 
H21 H 0.573478 0.193793 0.404060 0.028 Uiso 1 1 calc R U . . . 
C22 C 0.3983(2) 0.27674(18) 0.42370(6) 0.0216(4) Uani 1 1 d . . . . . 
H22 H 0.360521 0.309316 0.396287 0.026 Uiso 1 1 calc R U . . . 
C23 C 0.3264(2) 0.29778(17) 0.45894(7) 0.0191(4) Uani 1 1 d . . . . . 
H23 H 0.239548 0.344549 0.455602 0.023 Uiso 1 1 calc R U . . . 
C24 C 0.36939(19) 0.48590(17) 0.62783(6) 0.0155(3) Uani 1 1 d . . . . . 
H24A H 0.444656 0.498030 0.652974 0.019 Uiso 1 1 calc R U . . . 
H24B H 0.416499 0.491124 0.601448 0.019 Uiso 1 1 calc R U . . . 
C241 C 0.25958(18) 0.58599(17) 0.62706(6) 0.0140(3) Uani 1 1 d . . . . . 
C242 C 0.23004(19) 0.64212(16) 0.66519(6) 0.0154(3) Uani 1 1 d . . . . . 
H242 H 0.287592 0.622321 0.691711 0.018 Uiso 1 1 calc R U . . . 
C243 C 0.1174(2) 0.72657(17) 0.66471(6) 0.0184(4) Uani 1 1 d . . . . . 
H243 H 0.097600 0.763155 0.690848 0.022 Uiso 1 1 calc R U . . . 
C244 C 0.0335(2) 0.75746(17) 0.62585(7) 0.0198(4) Uani 1 1 d . . . . . 
H244 H -0.044761 0.813694 0.625455 0.024 Uiso 1 1 calc R U . . . 
C245 C 0.0653(2) 0.70556(17) 0.58792(7) 0.0191(4) Uani 1 1 d . . . . . 
H245 H 0.010230 0.728063 0.561270 0.023 Uiso 1 1 calc R U . . . 
C246 C 0.17674(19) 0.62106(16) 0.58852(6) 0.0158(4) Uani 1 1 d . . . . . 
H246 H 0.197211 0.586282 0.562177 0.019 Uiso 1 1 calc R U . . . 
C25 C 0.2003(2) 0.11633(17) 0.64045(6) 0.0188(4) Uani 1 1 d . . . . . 
H25A H 0.274644 0.058463 0.632661 0.023 Uiso 1 1 calc R U . . . 
H25B H 0.193798 0.104269 0.671453 0.023 Uiso 1 1 calc R U . . . 
C251 C 0.0583(2) 0.08125(16) 0.61535(6) 0.0161(4) Uani 1 1 d . . . . . 
C252 C 0.0498(2) 0.03162(17) 0.57421(6) 0.0184(4) Uani 1 1 d . . . . . 
H252 H 0.135677 0.021581 0.561489 0.022 Uiso 1 1 calc R U . . . 
C253 C -0.0819(2) -0.00371(18) 0.55126(6) 0.0218(4) Uani 1 1 d . . . . . 
H253 H -0.085212 -0.038376 0.523268 0.026 Uiso 1 1 calc R U . . . 
C254 C -0.2087(2) 0.01174(17) 0.56930(7) 0.0229(4) Uani 1 1 d . . . . . 
H254 H -0.298645 -0.013727 0.553942 0.027 Uiso 1 1 calc R U . . . 
C255 C -0.2030(2) 0.06423(18) 0.60960(7) 0.0236(4) Uani 1 1 d . . . . . 
H255 H -0.289710 0.077770 0.621579 0.028 Uiso 1 1 calc R U . . . 
C256 C -0.0707(2) 0.09754(17) 0.63286(7) 0.0201(4) Uani 1 1 d . . . . . 
H256 H -0.067897 0.131684 0.660908 0.024 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 2.1633(18) . ? 
Sn1 C24 2.1782(18) . ? 
Sn1 O2 2.2261(13) . ? 
Sn1 O1 2.2803(12) . ? 
Sn1 N4 2.3116(15) . ? 
Sn1 N2 2.3460(15) . ? 
Sn1 N3 2.3473(14) . ? 
O1 C1 1.271(2) . ? 
O2 C17 1.281(2) . ? 
N1 C1 1.343(2) . ? 
N1 N2 1.379(2) . ? 
N2 C8 1.295(2) . ? 
N3 C10 1.332(2) . ? 
N3 C14 1.348(2) . ? 
N4 C15 1.294(2) . ? 
N4 N5 1.370(2) . ? 
N5 C17 1.331(2) . ? 
C1 C2 1.497(2) . ? 
C2 C7 1.397(3) . ? 
C2 C3 1.397(3) . ? 
C3 C4 1.395(3) . ? 
C3 H3 0.9500 . ? 
C4 C5 1.387(3) . ? 
C4 H4 0.9500 . ? 
C5 C6 1.390(3) . ? 
C5 H5 0.9500 . ? 
C6 C7 1.388(3) . ? 
C6 H6 0.9500 . ? 
C7 H7 0.9500 . ? 
C8 C9 1.484(2) . ? 
C8 C10 1.486(2) . ? 
C9 H9A 0.9800 . ? 
C9 H9B 0.9800 . ? 
C9 H9C 0.9800 . ? 
C10 C11 1.396(2) . ? 
C11 C12 1.389(3) . ? 
C11 H11 0.9500 . ? 
C12 C13 1.380(3) . ? 
C12 H12 0.9500 . ? 
C13 C14 1.396(2) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.469(3) . ? 
C15 C16 1.493(2) . ? 
C16 H16A 0.9800 . ? 
C16 H16B 0.9800 . ? 
C16 H16C 0.9800 . ? 
C17 C18 1.495(3) . ? 
C18 C23 1.392(3) . ? 
C18 C19 1.393(3) . ? 
C19 C20 1.387(3) . ? 
C19 H19 0.9500 . ? 
C20 C21 1.381(3) . ? 
C20 H20 0.9500 . ? 
C21 C22 1.386(3) . ? 
C21 H21 0.9500 . ? 
C22 C23 1.388(3) . ? 
C22 H22 0.9500 . ? 
C23 H23 0.9500 . ? 
C24 C241 1.489(2) . ? 
C24 H24A 0.9900 . ? 
C24 H24B 0.9900 . ? 
C241 C246 1.394(2) . ? 
C241 C242 1.401(3) . ? 
C242 C243 1.392(3) . ? 
C242 H242 0.9500 . ? 
C243 C244 1.395(3) . ? 
C243 H243 0.9500 . ? 
C244 C245 1.383(3) . ? 
C244 H244 0.9500 . ? 
C245 C246 1.384(3) . ? 
C245 H245 0.9500 . ? 
C246 H246 0.9500 . ? 
C25 C251 1.496(2) . ? 
C25 H25A 0.9900 . ? 
C25 H25B 0.9900 . ? 
C251 C252 1.388(3) . ? 
C251 C256 1.402(3) . ? 
C252 C253 1.391(3) . ? 
C252 H252 0.9500 . ? 
C253 C254 1.392(3) . ? 
C253 H253 0.9500 . ? 
C254 C255 1.378(3) . ? 
C254 H254 0.9500 . ? 
C255 C256 1.393(3) . ? 
C255 H255 0.9500 . ? 
C256 H256 0.9500 . ? 
 
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 173.44(7) . . ? 
C25 Sn1 O2 91.18(7) . . ? 
C24 Sn1 O2 89.17(6) . . ? 
C25 Sn1 O1 86.02(6) . . ? 
C24 Sn1 O1 87.45(6) . . ? 
O2 Sn1 O1 88.57(5) . . ? 
C25 Sn1 N4 93.67(6) . . ? 
C24 Sn1 N4 92.57(6) . . ? 
O2 Sn1 N4 69.04(5) . . ? 
O1 Sn1 N4 157.61(5) . . ? 
C25 Sn1 N2 91.92(6) . . ? 
C24 Sn1 N2 85.16(6) . . ? 
O2 Sn1 N2 156.07(5) . . ? 
O1 Sn1 N2 68.00(5) . . ? 
N4 Sn1 N2 134.34(5) . . ? 
C25 Sn1 N3 90.37(6) . . ? 
C24 Sn1 N3 93.87(6) . . ? 
O2 Sn1 N3 136.73(5) . . ? 
O1 Sn1 N3 134.66(5) . . ? 
N4 Sn1 N3 67.70(5) . . ? 
N2 Sn1 N3 66.98(5) . . ? 
C1 O1 Sn1 115.66(11) . . ? 
C17 O2 Sn1 115.83(11) . . ? 
C1 N1 N2 109.67(14) . . ? 
C8 N2 N1 118.58(15) . . ? 
C8 N2 Sn1 122.86(12) . . ? 
N1 N2 Sn1 117.88(11) . . ? 
C10 N3 C14 121.02(15) . . ? 
C10 N3 Sn1 120.24(11) . . ? 
C14 N3 Sn1 118.60(12) . . ? 
C15 N4 N5 119.59(15) . . ? 
C15 N4 Sn1 122.33(12) . . ? 
N5 N4 Sn1 118.00(11) . . ? 
C17 N5 N4 109.80(15) . . ? 
O1 C1 N1 127.02(16) . . ? 
O1 C1 C2 119.01(16) . . ? 
N1 C1 C2 113.95(15) . . ? 
C7 C2 C3 119.37(16) . . ? 
C7 C2 C1 121.13(16) . . ? 
C3 C2 C1 119.49(16) . . ? 
C4 C3 C2 119.87(18) . . ? 
C4 C3 H3 120.1 . . ? 
C2 C3 H3 120.1 . . ? 
C5 C4 C3 120.36(18) . . ? 
C5 C4 H4 119.8 . . ? 
C3 C4 H4 119.8 . . ? 
C4 C5 C6 119.89(17) . . ? 
C4 C5 H5 120.1 . . ? 
C6 C5 H5 120.1 . . ? 
C7 C6 C5 120.07(18) . . ? 
C7 C6 H6 120.0 . . ? 
C5 C6 H6 120.0 . . ? 
C6 C7 C2 120.43(17) . . ? 
C6 C7 H7 119.8 . . ? 
C2 C7 H7 119.8 . . ? 
N2 C8 C9 125.17(16) . . ? 
N2 C8 C10 113.66(15) . . ? 
C9 C8 C10 121.10(16) . . ? 
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 121.53(16) . . ? 
N3 C10 C8 115.65(15) . . ? 
C11 C10 C8 122.82(16) . . ? 
C12 C11 C10 117.68(17) . . ? 
C12 C11 H11 121.2 . . ? 
C10 C11 H11 121.2 . . ? 
C13 C12 C11 120.71(17) . . ? 
C13 C12 H12 119.6 . . ? 
C11 C12 H12 119.6 . . ? 
C12 C13 C14 118.57(17) . . ? 
C12 C13 H13 120.7 . . ? 
C14 C13 H13 120.7 . . ? 
N3 C14 C13 120.46(17) . . ? 
N3 C14 C15 115.48(15) . . ? 
C13 C14 C15 124.05(16) . . ? 
N4 C15 C14 114.95(15) . . ? 
N4 C15 C16 123.65(17) . . ? 
C14 C15 C16 121.38(16) . . ? 
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 126.57(17) . . ? 
O2 C17 C18 117.69(16) . . ? 
N5 C17 C18 115.75(16) . . ? 
C23 C18 C19 119.22(18) . . ? 
C23 C18 C17 121.77(17) . . ? 
C19 C18 C17 119.01(17) . . ? 
C20 C19 C18 120.44(19) . . ? 
C20 C19 H19 119.8 . . ? 
C18 C19 H19 119.8 . . ? 
C21 C20 C19 120.02(19) . . ? 
C21 C20 H20 120.0 . . ? 
C19 C20 H20 120.0 . . ? 
C20 C21 C22 119.97(19) . . ? 
C20 C21 H21 120.0 . . ? 
C22 C21 H21 120.0 . . ? 
C21 C22 C23 120.28(19) . . ? 
C21 C22 H22 119.9 . . ? 
C23 C22 H22 119.9 . . ? 
C22 C23 C18 120.06(18) . . ? 
C22 C23 H23 120.0 . . ? 
C18 C23 H23 120.0 . . ? 
C241 C24 Sn1 111.90(11) . . ? 
C241 C24 H24A 109.2 . . ? 
Sn1 C24 H24A 109.2 . . ? 
C241 C24 H24B 109.2 . . ? 
Sn1 C24 H24B 109.2 . . ? 
H24A C24 H24B 107.9 . . ? 
C246 C241 C242 118.00(16) . . ? 
C246 C241 C24 120.75(16) . . ? 
C242 C241 C24 121.14(16) . . ? 
C243 C242 C241 120.82(17) . . ? 
C243 C242 H242 119.6 . . ? 
C241 C242 H242 119.6 . . ? 
C242 C243 C244 120.00(18) . . ? 
C242 C243 H243 120.0 . . ? 
C244 C243 H243 120.0 . . ? 
C245 C244 C243 119.45(18) . . ? 
C245 C244 H244 120.3 . . ? 
C243 C244 H244 120.3 . . ? 
C244 C245 C246 120.40(18) . . ? 
C244 C245 H245 119.8 . . ? 
C246 C245 H245 119.8 . . ? 
C245 C246 C241 121.27(18) . . ? 
C245 C246 H246 119.4 . . ? 
C241 C246 H246 119.4 . . ? 
C251 C25 Sn1 116.32(12) . . ? 
C251 C25 H25A 108.2 . . ? 
Sn1 C25 H25A 108.2 . . ? 
C251 C25 H25B 108.2 . . ? 
Sn1 C25 H25B 108.2 . . ? 
H25A C25 H25B 107.4 . . ? 
C252 C251 C256 117.98(17) . . ? 
C252 C251 C25 121.27(17) . . ? 
C256 C251 C25 120.75(17) . . ? 
C251 C252 C253 121.31(18) . . ? 
C251 C252 H252 119.3 . . ? 
C253 C252 H252 119.3 . . ? 
C252 C253 C254 119.98(19) . . ? 
C252 C253 H253 120.0 . . ? 
C254 C253 H253 120.0 . . ? 
C255 C254 C253 119.56(18) . . ? 
C255 C254 H254 120.2 . . ? 
C253 C254 H254 120.2 . . ? 
C254 C255 C256 120.35(19) . . ? 
C254 C255 H255 119.8 . . ? 
C256 C255 H255 119.8 . . ? 
C255 C256 C251 120.78(18) . . ? 
C255 C256 H256 119.6 . . ? 
C251 C256 H256 119.6 . . ? 
 
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 178.15(16) . . . . ? 
C1 N1 N2 Sn1 -11.08(18) . . . . ? 
C15 N4 N5 C17 -172.57(16) . . . . ? 
Sn1 N4 N5 C17 4.10(18) . . . . ? 
Sn1 O1 C1 N1 9.4(2) . . . . ? 
Sn1 O1 C1 C2 -172.01(12) . . . . ? 
N2 N1 C1 O1 1.2(2) . . . . ? 
N2 N1 C1 C2 -177.47(14) . . . . ? 
O1 C1 C2 C7 164.55(17) . . . . ? 
N1 C1 C2 C7 -16.7(2) . . . . ? 
O1 C1 C2 C3 -16.1(2) . . . . ? 
N1 C1 C2 C3 162.69(16) . . . . ? 
C7 C2 C3 C4 1.0(3) . . . . ? 
C1 C2 C3 C4 -178.34(17) . . . . ? 
C2 C3 C4 C5 -0.9(3) . . . . ? 
C3 C4 C5 C6 0.0(3) . . . . ? 
C4 C5 C6 C7 0.6(3) . . . . ? 
C5 C6 C7 C2 -0.5(3) . . . . ? 
C3 C2 C7 C6 -0.3(3) . . . . ? 
C1 C2 C7 C6 179.00(17) . . . . ? 
N1 N2 C8 C9 1.1(3) . . . . ? 
Sn1 N2 C8 C9 -169.18(14) . . . . ? 
N1 N2 C8 C10 178.01(14) . . . . ? 
Sn1 N2 C8 C10 7.7(2) . . . . ? 
C14 N3 C10 C11 1.1(3) . . . . ? 
Sn1 N3 C10 C11 -174.53(13) . . . . ? 
C14 N3 C10 C8 -177.96(15) . . . . ? 
Sn1 N3 C10 C8 6.4(2) . . . . ? 
N2 C8 C10 N3 -9.0(2) . . . . ? 
C9 C8 C10 N3 168.09(16) . . . . ? 
N2 C8 C10 C11 172.00(17) . . . . ? 
C9 C8 C10 C11 -11.0(3) . . . . ? 
N3 C10 C11 C12 0.5(3) . . . . ? 
C8 C10 C11 C12 179.49(17) . . . . ? 
C10 C11 C12 C13 -1.2(3) . . . . ? 
C11 C12 C13 C14 0.4(3) . . . . ? 
C10 N3 C14 C13 -2.0(3) . . . . ? 
Sn1 N3 C14 C13 173.73(13) . . . . ? 
C10 N3 C14 C15 176.87(15) . . . . ? 
Sn1 N3 C14 C15 -7.43(19) . . . . ? 
C12 C13 C14 N3 1.2(3) . . . . ? 
C12 C13 C14 C15 -177.53(17) . . . . ? 
N5 N4 C15 C14 -175.83(15) . . . . ? 
Sn1 N4 C15 C14 7.6(2) . . . . ? 
N5 N4 C15 C16 2.4(3) . . . . ? 
Sn1 N4 C15 C16 -174.15(14) . . . . ? 
N3 C14 C15 N4 0.1(2) . . . . ? 
C13 C14 C15 N4 178.91(17) . . . . ? 
N3 C14 C15 C16 -178.12(17) . . . . ? 
C13 C14 C15 C16 0.7(3) . . . . ? 
Sn1 O2 C17 N5 -9.3(2) . . . . ? 
Sn1 O2 C17 C18 171.06(12) . . . . ? 
N4 N5 C17 O2 3.4(3) . . . . ? 
N4 N5 C17 C18 -176.94(15) . . . . ? 
O2 C17 C18 C23 -166.64(17) . . . . ? 
N5 C17 C18 C23 13.7(3) . . . . ? 
O2 C17 C18 C19 13.1(3) . . . . ? 
N5 C17 C18 C19 -166.64(17) . . . . ? 
C23 C18 C19 C20 -1.3(3) . . . . ? 
C17 C18 C19 C20 178.96(18) . . . . ? 
C18 C19 C20 C21 1.1(3) . . . . ? 
C19 C20 C21 C22 -0.2(3) . . . . ? 
C20 C21 C22 C23 -0.4(3) . . . . ? 
C21 C22 C23 C18 0.1(3) . . . . ? 
C19 C18 C23 C22 0.7(3) . . . . ? 
C17 C18 C23 C22 -179.56(17) . . . . ? 
Sn1 C24 C241 C246 -84.19(18) . . . . ? 
Sn1 C24 C241 C242 91.73(17) . . . . ? 
C246 C241 C242 C243 2.6(3) . . . . ? 
C24 C241 C242 C243 -173.44(16) . . . . ? 
C241 C242 C243 C244 -0.9(3) . . . . ? 
C242 C243 C244 C245 -1.4(3) . . . . ? 
C243 C244 C245 C246 1.8(3) . . . . ? 
C244 C245 C246 C241 0.0(3) . . . . ? 
C242 C241 C246 C245 -2.2(3) . . . . ? 
C24 C241 C246 C245 173.86(17) . . . . ? 
Sn1 C25 C251 C252 89.24(19) . . . . ? 
Sn1 C25 C251 C256 -90.84(19) . . . . ? 
C256 C251 C252 C253 -1.4(3) . . . . ? 
C25 C251 C252 C253 178.48(17) . . . . ? 
C251 C252 C253 C254 0.7(3) . . . . ? 
C252 C253 C254 C255 1.2(3) . . . . ? 
C253 C254 C255 C256 -2.3(3) . . . . ? 
C254 C255 C256 C251 1.6(3) . . . . ? 
C252 C251 C256 C255 0.3(3) . . . . ? 
C25 C251 C256 C255 -179.63(17) . . . . ? 
 
_refine_diff_density_max    0.538 
_refine_diff_density_min   -0.491 
_refine_diff_density_rms    0.063 
 
 

