# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_database_code_depnum_ccdc_archive 'CCDC 2270674'
loop_
_audit_author_name
_audit_author_address
'Hari Pada Nayek'
;Indian Institute of Technology (ISM) Dhanbad
India
;
_audit_update_record             
;
2023-09-27 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2023-08-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H26 N2 O4 Sn'
_chemical_formula_sum            'C29 H26 N2 O4 Sn'
_chemical_formula_weight         585.21
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C58 H52 N4 O8 Sn2 '
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4626(3)
_cell_length_b                   12.2766(4)
_cell_length_c                   12.4511(5)
_cell_angle_alpha                64.844(4)
_cell_angle_beta                 65.315(3)
_cell_angle_gamma                66.761(3)
_cell_volume                     1268.69(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    11091
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.3460
_cell_measurement_theta_min      3.0630
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.045
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43490
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_unetI/netI     0.0397
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19775
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         1.900
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0303
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -51.00  18.00   1.00   20.00    --   13.76 -19.00-150.00   69
  2  ω    -11.00  33.00   1.00   20.00    --   13.76  77.00-120.00   44
  3  ω     -1.00  77.00   1.00   20.00    --   13.76  57.00  60.00   78
  4  ω    -56.00  83.00   1.00   20.00    --   13.76   0.00 -90.00  139
  5  ω     -8.00  42.00   1.00   20.00    --   13.76  77.00 150.00   50
  6  ω     -4.00  82.00   1.00   20.00    --   13.76  38.00 -30.00   86
  7  ω    -23.00  44.00   1.00   20.00    --  -15.95  19.00-150.00   67
  8  ω    -72.00 -30.00   1.00   20.00    --  -15.95 131.00 -94.90   42
  9  ω    -73.00  -9.00   1.00   20.00    --  -15.95 132.00  37.92   64
 10  ω    -80.00 -45.00   1.00   20.00    --  -15.95 143.00 148.62   35
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0602618000
_diffrn_orient_matrix_UB_12      -0.0489545000
_diffrn_orient_matrix_UB_13      0.0161152000
_diffrn_orient_matrix_UB_21      0.0124210000
_diffrn_orient_matrix_UB_22      -0.0204824000
_diffrn_orient_matrix_UB_23      -0.0497432000
_diffrn_orient_matrix_UB_31      0.0468818000
_diffrn_orient_matrix_UB_32      0.0395381000
_diffrn_orient_matrix_UB_33      -0.0402487000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4778
_reflns_number_total             5491
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.456
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         5491
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0302
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0385P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0749
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C16) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
3. Rigid body (RIGU) restrains
 C14, C16
 with sigma for 1-2 distances of 0.0004 and sigma for 1-3 distances of 0.002
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C7(H7), C9(H9), C11(H11), C12(H12), C19(H19),
 C20(H20), C21(H21), C22(H22), C23(H23), C25(H25), C26(H26), C27(H27), C28(H28),
  C29(H29)
4.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.60873(2) 0.65089(2) 0.23222(2) 0.03815(7) Uani 1 1 d . . . . .
O1 O 0.63749(18) 0.48115(17) 0.21234(19) 0.0532(5) Uani 1 1 d . . . . .
O2 O 0.55868(19) 0.75816(19) 0.34070(18) 0.0556(5) Uani 1 1 d . . . . .
O3 O 0.1426(3) 0.2309(2) 0.3911(3) 0.0968(9) Uani 1 1 d . . . . .
O4 O 0.0391(3) 0.3546(2) 0.5002(3) 0.0871(8) Uani 1 1 d . . . . .
N1 N 0.4183(2) 0.58409(18) 0.37660(19) 0.0370(5) Uani 1 1 d . . . . .
N2 N 0.1443(3) 0.3091(2) 0.4256(3) 0.0615(7) Uani 1 1 d . . . . .
C1 C 0.5217(3) 0.4380(2) 0.2640(3) 0.0450(6) Uani 1 1 d . . . . .
C2 C 0.5150(3) 0.3440(3) 0.2333(3) 0.0564(8) Uani 1 1 d . . . . .
H2 H 0.594539 0.310167 0.175498 0.068 Uiso 1 1 calc R U . . .
C3 C 0.3936(3) 0.3009(3) 0.2868(3) 0.0573(8) Uani 1 1 d . . . . .
H3 H 0.389335 0.239193 0.264790 0.069 Uiso 1 1 calc R U . . .
C4 C 0.2765(3) 0.3507(2) 0.3746(3) 0.0471(7) Uani 1 1 d . . . . .
C5 C 0.2773(3) 0.4428(2) 0.4092(2) 0.0432(6) Uani 1 1 d . . . . .
H5 H 0.197106 0.474783 0.467934 0.052 Uiso 1 1 calc R U . . .
C6 C 0.4005(3) 0.4869(2) 0.3546(2) 0.0386(6) Uani 1 1 d . . . . .
C7 C 0.3226(3) 0.6338(2) 0.4630(2) 0.0389(6) Uani 1 1 d . . . . .
H7 H 0.244001 0.599335 0.512640 0.047 Uiso 1 1 calc R U . . .
C8 C 0.3251(2) 0.7346(2) 0.4898(2) 0.0359(5) Uani 1 1 d . . . . .
C9 C 0.2058(3) 0.7763(2) 0.5853(2) 0.0396(6) Uani 1 1 d . . . . .
H9 H 0.131855 0.735729 0.627414 0.047 Uiso 1 1 calc R U . . .
C10 C 0.1945(3) 0.8739(2) 0.6184(2) 0.0386(6) Uani 1 1 d . . . . .
C11 C 0.3075(3) 0.9332(3) 0.5505(3) 0.0490(7) Uani 1 1 d . . . . .
H11 H 0.301934 1.001559 0.568258 0.059 Uiso 1 1 calc R U . . .
C12 C 0.4260(3) 0.8944(3) 0.4586(3) 0.0509(7) Uani 1 1 d . . . . .
H12 H 0.499088 0.935972 0.417058 0.061 Uiso 1 1 calc R U . . .
C13 C 0.4388(3) 0.7948(2) 0.4268(2) 0.0396(6) Uani 1 1 d . . . . .
C14 C 0.0643(3) 0.9176(3) 0.7224(3) 0.0475(6) Uani 1 1 d . . . . .
C15 C 0.0240(4) 0.8071(4) 0.8320(3) 0.1013(15) Uani 1 1 d . . . . .
H15A H -0.014072 0.763501 0.808915 0.152 Uiso 1 1 calc R U . . .
H15B H -0.048705 0.835558 0.900025 0.152 Uiso 1 1 calc R U . . .
H15C H 0.108984 0.751895 0.856801 0.152 Uiso 1 1 calc R U . . .
C16 C 0.0979(5) 0.9959(4) 0.7689(4) 0.1068(14) Uani 1 1 d . U . . .
H16A H 0.183206 0.949507 0.795963 0.160 Uiso 1 1 calc R U . . .
H16B H 0.016724 1.016704 0.837279 0.160 Uiso 1 1 calc R U . . .
H16C H 0.115046 1.071002 0.702890 0.160 Uiso 1 1 calc R U . . .
C17 C -0.0662(4) 0.9932(4) 0.6757(4) 0.1027(15) Uani 1 1 d . . . . .
H17A H -0.041187 1.061358 0.602786 0.154 Uiso 1 1 calc R U . . .
H17B H -0.144971 1.025201 0.739112 0.154 Uiso 1 1 calc R U . . .
H17C H -0.095586 0.941220 0.655467 0.154 Uiso 1 1 calc R U . . .
C18 C 0.8345(3) 0.6140(2) 0.2052(2) 0.0405(6) Uani 1 1 d . . . . .
C19 C 0.9359(3) 0.5243(3) 0.1520(3) 0.0597(8) Uani 1 1 d . . . . .
H19 H 0.904388 0.473778 0.135208 0.072 Uiso 1 1 calc R U . . .
C20 C 1.0846(3) 0.5075(3) 0.1227(4) 0.0731(10) Uani 1 1 d . . . . .
H20 H 1.151573 0.447060 0.085717 0.088 Uiso 1 1 calc R U . . .
C21 C 1.1319(3) 0.5796(3) 0.1481(3) 0.0630(9) Uani 1 1 d . . . . .
H21 H 1.231269 0.568673 0.128424 0.076 Uiso 1 1 calc R U . . .
C22 C 1.0339(3) 0.6675(3) 0.2023(3) 0.0726(10) Uani 1 1 d . . . . .
H22 H 1.066568 0.716219 0.220303 0.087 Uiso 1 1 calc R U . . .
C23 C 0.8861(3) 0.6852(3) 0.2309(3) 0.0621(9) Uani 1 1 d . . . . .
H23 H 0.820247 0.745877 0.267936 0.074 Uiso 1 1 calc R U . . .
C24 C 0.5179(3) 0.7754(2) 0.0867(2) 0.0389(6) Uani 1 1 d . . . . .
C25 C 0.3719(3) 0.8009(3) 0.0997(3) 0.0573(8) Uani 1 1 d . . . . .
H25 H 0.311363 0.761170 0.173942 0.069 Uiso 1 1 calc R U . . .
C26 C 0.3149(3) 0.8850(3) 0.0030(3) 0.0687(9) Uani 1 1 d . . . . .
H26 H 0.216908 0.900237 0.012662 0.082 Uiso 1 1 calc R U . . .
C27 C 0.4015(3) 0.9453(3) -0.1059(3) 0.0593(8) Uani 1 1 d . . . . .
H27 H 0.362339 1.002687 -0.169764 0.071 Uiso 1 1 calc R U . . .
C28 C 0.5457(3) 0.9215(3) -0.1210(3) 0.0589(8) Uani 1 1 d . . . . .
H28 H 0.605054 0.962255 -0.195318 0.071 Uiso 1 1 calc R U . . .
C29 C 0.6039(3) 0.8362(3) -0.0253(3) 0.0532(7) Uani 1 1 d . . . . .
H29 H 0.702621 0.819707 -0.036825 0.064 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 O1 2.0919(18) . ?
Sn1 O2 2.0518(19) . ?
Sn1 N1 2.2174(19) . ?
Sn1 C18 2.126(2) . ?
Sn1 C24 2.112(3) . ?
O1 C1 1.314(3) . ?
O2 C13 1.329(3) . ?
O3 N2 1.215(3) . ?
O4 N2 1.220(3) . ?
N1 C6 1.424(3) . ?
N1 C7 1.307(3) . ?
N2 C4 1.458(3) . ?
C1 C2 1.394(4) . ?
C1 C6 1.422(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.364(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.389(4) . ?
C4 C5 1.375(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.386(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.423(3) . ?
C8 C9 1.417(3) . ?
C8 C13 1.413(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.374(3) . ?
C10 C11 1.402(3) . ?
C10 C14 1.536(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.373(4) . ?
C12 H12 0.9300 . ?
C12 C13 1.383(4) . ?
C14 C15 1.509(4) . ?
C14 C16 1.514(4) . ?
C14 C17 1.506(4) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.374(4) . ?
C18 C23 1.382(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.391(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.357(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.356(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.381(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.385(3) . ?
C24 C29 1.381(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.388(4) . ?
C26 H26 0.9300 . ?
C26 C27 1.364(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.363(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.389(4) . ?
C29 H29 0.9300 . ?

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
O1 Sn1 N1 75.89(7) . . ?
O1 Sn1 C18 92.56(8) . . ?
O1 Sn1 C24 99.73(9) . . ?
O2 Sn1 O1 151.18(9) . . ?
O2 Sn1 N1 83.13(7) . . ?
O2 Sn1 C18 90.13(9) . . ?
O2 Sn1 C24 103.64(9) . . ?
C18 Sn1 N1 138.36(9) . . ?
C24 Sn1 N1 101.32(8) . . ?
C24 Sn1 C18 120.16(9) . . ?
C1 O1 Sn1 116.00(16) . . ?
C13 O2 Sn1 133.24(15) . . ?
C6 N1 Sn1 110.93(15) . . ?
C7 N1 Sn1 126.35(16) . . ?
C7 N1 C6 122.3(2) . . ?
O3 N2 O4 122.4(2) . . ?
O3 N2 C4 118.6(3) . . ?
O4 N2 C4 119.1(2) . . ?
O1 C1 C2 121.7(3) . . ?
O1 C1 C6 119.5(2) . . ?
C2 C1 C6 118.8(2) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 121.1(3) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 118.9(3) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 N2 118.4(3) . . ?
C5 C4 N2 119.0(3) . . ?
C5 C4 C3 122.6(2) . . ?
C4 C5 H5 120.7 . . ?
C4 C5 C6 118.5(2) . . ?
C6 C5 H5 120.7 . . ?
C1 C6 N1 113.9(2) . . ?
C5 C6 N1 126.0(2) . . ?
C5 C6 C1 120.1(2) . . ?
N1 C7 H7 116.3 . . ?
N1 C7 C8 127.4(2) . . ?
C8 C7 H7 116.3 . . ?
C9 C8 C7 117.5(2) . . ?
C13 C8 C7 123.9(2) . . ?
C13 C8 C9 118.6(2) . . ?
C8 C9 H9 118.5 . . ?
C10 C9 C8 123.0(2) . . ?
C10 C9 H9 118.5 . . ?
C9 C10 C11 116.2(2) . . ?
C9 C10 C14 122.2(2) . . ?
C11 C10 C14 121.6(2) . . ?
C10 C11 H11 118.7 . . ?
C12 C11 C10 122.5(2) . . ?
C12 C11 H11 118.7 . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.2(2) . . ?
C13 C12 H12 119.4 . . ?
O2 C13 C8 123.1(2) . . ?
O2 C13 C12 118.6(2) . . ?
C12 C13 C8 118.3(2) . . ?
C15 C14 C10 110.5(2) . . ?
C15 C14 C16 107.6(3) . . ?
C16 C14 C10 111.9(2) . . ?
C17 C14 C10 109.9(2) . . ?
C17 C14 C15 108.0(3) . . ?
C17 C14 C16 108.9(3) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 Sn1 120.7(2) . . ?
C19 C18 C23 117.4(2) . . ?
C23 C18 Sn1 121.7(2) . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.3(3) . . ?
C20 C19 H19 119.4 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 119.9(3) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.1 . . ?
C22 C21 C20 119.9(3) . . ?
C22 C21 H21 120.1 . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.5(3) . . ?
C23 C22 H22 119.7 . . ?
C18 C23 H23 119.5 . . ?
C22 C23 C18 121.0(3) . . ?
C22 C23 H23 119.5 . . ?
C25 C24 Sn1 122.09(19) . . ?
C29 C24 Sn1 120.23(19) . . ?
C29 C24 C25 117.7(3) . . ?
C24 C25 H25 119.6 . . ?
C24 C25 C26 120.7(3) . . ?
C26 C25 H25 119.6 . . ?
C25 C26 H26 119.8 . . ?
C27 C26 C25 120.4(3) . . ?
C27 C26 H26 119.8 . . ?
C26 C27 H27 120.1 . . ?
C28 C27 C26 119.9(3) . . ?
C28 C27 H27 120.1 . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.0(3) . . ?
C29 C28 H28 120.0 . . ?
C24 C29 C28 121.3(3) . . ?
C24 C29 H29 119.4 . . ?
C28 C29 H29 119.4 . . ?

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
Sn1 O1 C1 C2 164.2(2) . . . . ?
Sn1 O1 C1 C6 -16.5(3) . . . . ?
Sn1 O2 C13 C8 19.5(4) . . . . ?
Sn1 O2 C13 C12 -162.1(2) . . . . ?
Sn1 N1 C6 C1 12.3(3) . . . . ?
Sn1 N1 C6 C5 -165.2(2) . . . . ?
Sn1 N1 C7 C8 -5.3(4) . . . . ?
Sn1 C18 C19 C20 173.7(3) . . . . ?
Sn1 C18 C23 C22 -174.0(3) . . . . ?
Sn1 C24 C25 C26 178.8(3) . . . . ?
Sn1 C24 C29 C28 -178.0(2) . . . . ?
O1 C1 C2 C3 -179.3(3) . . . . ?
O1 C1 C6 N1 1.9(3) . . . . ?
O1 C1 C6 C5 179.6(2) . . . . ?
O3 N2 C4 C3 1.4(4) . . . . ?
O3 N2 C4 C5 177.4(3) . . . . ?
O4 N2 C4 C3 -178.0(3) . . . . ?
O4 N2 C4 C5 -2.0(4) . . . . ?
N1 C7 C8 C9 177.5(2) . . . . ?
N1 C7 C8 C13 -2.4(4) . . . . ?
N2 C4 C5 C6 -176.2(2) . . . . ?
C1 C2 C3 C4 -1.1(5) . . . . ?
C2 C1 C6 N1 -178.8(2) . . . . ?
C2 C1 C6 C5 -1.1(4) . . . . ?
C2 C3 C4 N2 176.4(3) . . . . ?
C2 C3 C4 C5 0.6(5) . . . . ?
C3 C4 C5 C6 -0.4(4) . . . . ?
C4 C5 C6 N1 178.0(2) . . . . ?
C4 C5 C6 C1 0.6(4) . . . . ?
C6 N1 C7 C8 -176.9(2) . . . . ?
C6 C1 C2 C3 1.4(4) . . . . ?
C7 N1 C6 C1 -175.0(2) . . . . ?
C7 N1 C6 C5 7.5(4) . . . . ?
C7 C8 C9 C10 -179.0(2) . . . . ?
C7 C8 C13 O2 -3.8(4) . . . . ?
C7 C8 C13 C12 177.8(2) . . . . ?
C8 C9 C10 C11 1.2(4) . . . . ?
C8 C9 C10 C14 -179.9(2) . . . . ?
C9 C8 C13 O2 176.3(2) . . . . ?
C9 C8 C13 C12 -2.0(4) . . . . ?
C9 C10 C11 C12 -2.2(4) . . . . ?
C9 C10 C14 C15 42.1(4) . . . . ?
C9 C10 C14 C16 161.9(3) . . . . ?
C9 C10 C14 C17 -77.0(4) . . . . ?
C10 C11 C12 C13 1.1(5) . . . . ?
C11 C10 C14 C15 -139.0(3) . . . . ?
C11 C10 C14 C16 -19.2(4) . . . . ?
C11 C10 C14 C17 101.8(3) . . . . ?
C11 C12 C13 O2 -177.3(3) . . . . ?
C11 C12 C13 C8 1.1(4) . . . . ?
C13 C8 C9 C10 0.9(4) . . . . ?
C14 C10 C11 C12 178.9(3) . . . . ?
C18 C19 C20 C21 0.8(5) . . . . ?
C19 C18 C23 C22 0.9(5) . . . . ?
C19 C20 C21 C22 0.2(6) . . . . ?
C20 C21 C22 C23 -0.6(6) . . . . ?
C21 C22 C23 C18 0.0(6) . . . . ?
C23 C18 C19 C20 -1.3(5) . . . . ?
C24 C25 C26 C27 -0.9(5) . . . . ?
C25 C24 C29 C28 1.1(4) . . . . ?
C25 C26 C27 C28 1.1(5) . . . . ?
C26 C27 C28 C29 -0.3(5) . . . . ?
C27 C28 C29 C24 -0.8(5) . . . . ?
C29 C24 C25 C26 -0.2(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.853
_oxdiff_exptl_absorpt_empirical_full_min 0.721
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 2270676'
loop_
_audit_author_name
_audit_author_address
'Hari Pada Nayek'
;Indian Institute of Technology (ISM) Dhanbad
India
;
_audit_update_record             
;
2024-05-07 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H36 N2 O5 Sn'
_chemical_formula_weight         575.26

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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   11.8788(5)
_cell_length_b                   13.7443(3)
_cell_length_c                   18.5417(4)
_cell_angle_alpha                70.101(2)
_cell_angle_beta                 81.539(2)
_cell_angle_gamma                76.408(3)
_cell_volume                     2759.29(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    20308
_cell_measurement_theta_min      2.3760
_cell_measurement_theta_max      28.8550

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_F_000             1184
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.962
_shelx_estimated_absorpt_T_min   0.885
_shelx_estimated_absorpt_T_max   0.927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.45857
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            44097
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_av_R_equivalents  0.0608
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.048
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_full        26.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             11981
_reflns_number_gt                9306
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0503P)²+1.6334P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11981
_refine_ls_number_parameters     642
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0458
_refine_ls_wR_factor_ref         0.1158
_refine_ls_wR_factor_gt          0.1096
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_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
C1 C 0.7746(3) 0.8401(3) 0.0260(2) 0.0405(8) Uani 1 1 d . . . . .
C2 C 0.8092(4) 0.8475(3) -0.0509(2) 0.0514(10) Uani 1 1 d . . . . .
H2 H 0.800268 0.795404 -0.069881 0.062 Uiso 1 1 calc R U . . .
C3 C 0.8562(4) 0.9315(3) -0.0985(2) 0.0478(9) Uani 1 1 d . . . . .
H3 H 0.880329 0.935790 -0.149331 0.057 Uiso 1 1 calc R U . . .
C4 C 0.8675(3) 1.0094(3) -0.0704(2) 0.0373(8) Uani 1 1 d . . . . .
C5 C 0.8339(3) 1.0062(3) 0.00546(19) 0.0359(8) Uani 1 1 d . . . . .
H5 H 0.842220 1.059582 0.023240 0.043 Uiso 1 1 calc R U . . .
C6 C 0.7881(3) 0.9214(3) 0.05316(18) 0.0331(7) Uani 1 1 d . . . . .
C7 C 0.7785(3) 0.9577(3) 0.17060(19) 0.0359(8) Uani 1 1 d . . . . .
H7 H 0.832819 0.999433 0.145671 0.043 Uiso 1 1 calc R U . . .
C8 C 0.7392(3) 0.9560(3) 0.24732(19) 0.0377(8) Uani 1 1 d . . . . .
C9 C 0.7937(3) 1.0102(3) 0.2803(2) 0.0422(9) Uani 1 1 d . . . . .
H9 H 0.855363 1.040749 0.252504 0.051 Uiso 1 1 calc R U . . .
C10 C 0.7584(4) 1.0193(3) 0.3521(2) 0.0487(10) Uani 1 1 d . . . . .
C11 C 0.6629(4) 0.9759(4) 0.3899(2) 0.0597(12) Uani 1 1 d . . . . .
H11 H 0.636153 0.982966 0.437919 0.072 Uiso 1 1 calc R U . . .
C12 C 0.6058(4) 0.9233(4) 0.3607(2) 0.0598(12) Uani 1 1 d . . . . .
C13 C 0.6461(4) 0.9097(3) 0.2885(2) 0.0469(9) Uani 1 1 d . . . . .
C14 C 0.4998(6) 0.8805(5) 0.4019(3) 0.094(2) Uani 1 1 d D . . . .
H14A H 0.483489 0.894610 0.450542 0.113 Uiso 1 1 calc R U . A 1
H14B H 0.433982 0.918190 0.371297 0.113 Uiso 1 1 calc R U . A 1
C15 C 0.8168(5) 1.0774(4) 0.3889(2) 0.0635(13) Uani 1 1 d . . . . .
C16 C 0.9362(7) 1.0906(7) 0.3501(3) 0.127(3) Uani 1 1 d . . . . .
H16A H 0.979601 1.023950 0.346221 0.191 Uiso 1 1 calc R U . . .
H16B H 0.976134 1.114892 0.380004 0.191 Uiso 1 1 calc R U . . .
H16C H 0.928538 1.141170 0.299611 0.191 Uiso 1 1 calc R U . . .
C17 C 0.7398(9) 1.1824(5) 0.3853(5) 0.173(5) Uani 1 1 d . . . . .
H17A H 0.737314 1.227433 0.332781 0.260 Uiso 1 1 calc R U . . .
H17B H 0.770105 1.214554 0.414855 0.260 Uiso 1 1 calc R U . . .
H17C H 0.662848 1.172485 0.405973 0.260 Uiso 1 1 calc R U . . .
C18 C 0.8359(5) 1.0125(4) 0.4727(3) 0.0808(16) Uani 1 1 d . . . . .
H18A H 0.762154 1.006726 0.501257 0.121 Uiso 1 1 calc R U . . .
H18B H 0.877785 1.046663 0.494193 0.121 Uiso 1 1 calc R U . . .
H18C H 0.879833 0.943279 0.475458 0.121 Uiso 1 1 calc R U . . .
C19 C 0.4770(4) 0.7991(4) 0.1478(3) 0.0677(13) Uani 1 1 d . . . . .
C20 C 0.4571(6) 0.9007(7) 0.0832(4) 0.153(4) Uani 1 1 d . . . . .
H20A H 0.521734 0.901661 0.045420 0.229 Uiso 1 1 calc R U . . .
H20B H 0.449439 0.958600 0.102659 0.229 Uiso 1 1 calc R U . . .
H20C H 0.387332 0.907273 0.060146 0.229 Uiso 1 1 calc R U . . .
C21 C 0.4713(6) 0.7076(7) 0.1193(4) 0.128(3) Uani 1 1 d . . . . .
H21A H 0.398347 0.721590 0.097556 0.192 Uiso 1 1 calc R U . . .
H21B H 0.478189 0.643040 0.161739 0.192 Uiso 1 1 calc R U . . .
H21C H 0.533632 0.700994 0.080915 0.192 Uiso 1 1 calc R U . . .
C22 C 0.3894(5) 0.7966(6) 0.2155(3) 0.0951(19) Uani 1 1 d . . . . .
H22A H 0.388114 0.855236 0.232766 0.143 Uiso 1 1 calc R U . . .
H22B H 0.410276 0.731794 0.256440 0.143 Uiso 1 1 calc R U . . .
H22C H 0.313888 0.801028 0.200506 0.143 Uiso 1 1 calc R U . . .
C23 C 0.7573(5) 0.6370(4) 0.2505(3) 0.0738(15) Uani 1 1 d . . . . .
C24 C 0.8821(6) 0.6432(7) 0.2258(6) 0.209(6) Uani 1 1 d . . . . .
H24A H 0.895840 0.652021 0.171787 0.314 Uiso 1 1 calc R U . . .
H24B H 0.931024 0.579299 0.254135 0.314 Uiso 1 1 calc R U . . .
H24C H 0.899287 0.702220 0.235537 0.314 Uiso 1 1 calc R U . . .
C25 C 0.7256(9) 0.6213(6) 0.3342(4) 0.178(5) Uani 1 1 d . . . . .
H25A H 0.762055 0.664860 0.350533 0.267 Uiso 1 1 calc R U . . .
H25B H 0.751493 0.548540 0.363140 0.267 Uiso 1 1 calc R U . . .
H25C H 0.642805 0.640440 0.342697 0.267 Uiso 1 1 calc R U . . .
C26 C 0.7343(8) 0.5434(5) 0.2330(4) 0.133(3) Uani 1 1 d . . . . .
H26A H 0.652997 0.553447 0.227232 0.200 Uiso 1 1 calc R U . . .
H26B H 0.757411 0.479943 0.274585 0.200 Uiso 1 1 calc R U . . .
H26C H 0.778031 0.537666 0.186315 0.200 Uiso 1 1 calc R U . . .
C27 C 0.7917(4) 0.5615(3) 0.9389(2) 0.0432(9) Uani 1 1 d . . . . .
C28 C 0.8288(4) 0.5483(3) 1.0103(2) 0.0555(11) Uani 1 1 d . . . . .
H28 H 0.826931 0.607518 1.024380 0.067 Uiso 1 1 calc R U . . .
C29 C 0.8679(4) 0.4500(3) 1.0600(2) 0.0510(10) Uani 1 1 d . . . . .
H29 H 0.893566 0.442061 1.107060 0.061 Uiso 1 1 calc R U . . .
C30 C 0.8683(3) 0.3619(3) 1.03846(19) 0.0385(8) Uani 1 1 d . . . . .
C31 C 0.8334(3) 0.3699(3) 0.96890(19) 0.0356(8) Uani 1 1 d . . . . .
H31 H 0.833742 0.309978 0.956125 0.043 Uiso 1 1 calc R U . . .
C32 C 0.7977(3) 0.4698(3) 0.91855(19) 0.0347(7) Uani 1 1 d . . . . .
C33 C 0.7965(3) 0.4270(3) 0.80474(19) 0.0378(8) Uani 1 1 d . . . . .
H33 H 0.851911 0.367289 0.826187 0.045 Uiso 1 1 calc R U . . .
C34 C 0.7615(3) 0.4391(3) 0.73166(19) 0.0387(8) Uani 1 1 d . . . . .
C35 C 0.8278(4) 0.3701(3) 0.6923(2) 0.0476(10) Uani 1 1 d . . . . .
H35 H 0.890889 0.320455 0.715323 0.057 Uiso 1 1 calc R U . . .
C36 C 0.8022(4) 0.3738(3) 0.6211(2) 0.0571(11) Uani 1 1 d . . . . .
C37 C 0.7020(4) 0.4467(3) 0.5913(2) 0.0600(12) Uani 1 1 d . . . . .
H37 H 0.680801 0.449505 0.544195 0.072 Uiso 1 1 calc R U . . .
C38 C 0.6345(4) 0.5130(3) 0.6277(2) 0.0527(10) Uani 1 1 d . . . . .
C39 C 0.6645(3) 0.5138(3) 0.6982(2) 0.0420(8) Uani 1 1 d . . . . .
C40 C 0.5267(5) 0.5908(4) 0.5937(3) 0.0742(15) Uani 1 1 d . . . . .
H40A H 0.460116 0.576362 0.629799 0.089 Uiso 1 1 calc R U . . .
H40B H 0.535490 0.661632 0.587497 0.089 Uiso 1 1 calc R U . . .
C41 C 0.8738(5) 0.3001(4) 0.5788(3) 0.0781(16) Uani 1 1 d . . . . .
C42 C 0.9951(6) 0.2543(6) 0.6065(4) 0.124(3) Uani 1 1 d . . . . .
H42A H 1.034223 0.310673 0.600169 0.185 Uiso 1 1 calc R U . . .
H42B H 1.037931 0.210389 0.576930 0.185 Uiso 1 1 calc R U . . .
H42C H 0.989836 0.212871 0.659815 0.185 Uiso 1 1 calc R U . . .
C43 C 0.8139(9) 0.2053(7) 0.5978(6) 0.184(5) Uani 1 1 d . . . . .
H43A H 0.808820 0.171223 0.652451 0.276 Uiso 1 1 calc R U . . .
H43B H 0.858454 0.156042 0.572992 0.276 Uiso 1 1 calc R U . . .
H43C H 0.737312 0.229527 0.579859 0.276 Uiso 1 1 calc R U . . .
C44 C 0.8800(9) 0.3499(7) 0.4943(4) 0.176(5) Uani 1 1 d . . . . .
H44A H 0.803000 0.380773 0.477757 0.264 Uiso 1 1 calc R U . . .
H44B H 0.915680 0.297447 0.470103 0.264 Uiso 1 1 calc R U . . .
H44C H 0.925265 0.403856 0.480188 0.264 Uiso 1 1 calc R U . . .
C45 C 0.7604(6) 0.7525(5) 0.7080(3) 0.0843(18) Uani 1 1 d . . . . .
C46 C 0.7674(6) 0.8467(4) 0.7313(4) 0.107(2) Uani 1 1 d . . . . .
H46A H 0.691678 0.876059 0.749718 0.161 Uiso 1 1 calc R U . . .
H46B H 0.795126 0.899257 0.687549 0.161 Uiso 1 1 calc R U . . .
H46C H 0.819797 0.824344 0.771223 0.161 Uiso 1 1 calc R U . . .
C47 C 0.7001(11) 0.7863(9) 0.6340(4) 0.234(7) Uani 1 1 d . . . . .
H47A H 0.689482 0.724939 0.624123 0.350 Uiso 1 1 calc R U . . .
H47B H 0.746920 0.824511 0.592022 0.350 Uiso 1 1 calc R U . . .
H47C H 0.625862 0.830775 0.638973 0.350 Uiso 1 1 calc R U . . .
C48 C 0.8810(8) 0.6897(7) 0.6988(6) 0.198(6) Uani 1 1 d . . . . .
H48A H 0.920887 0.674246 0.744002 0.297 Uiso 1 1 calc R U . . .
H48B H 0.922863 0.729965 0.654796 0.297 Uiso 1 1 calc R U . . .
H48C H 0.875981 0.624875 0.691662 0.297 Uiso 1 1 calc R U . . .
C50 C 0.4927(4) 0.6985(4) 0.8514(3) 0.0629(12) Uani 1 1 d . . . . .
C51 C 0.4018(5) 0.7287(6) 0.7940(4) 0.117(3) Uani 1 1 d . . . . .
H51A H 0.421479 0.783832 0.748972 0.176 Uiso 1 1 calc R U . . .
H51B H 0.327236 0.753166 0.816754 0.176 Uiso 1 1 calc R U . . .
H51C H 0.399044 0.668245 0.779977 0.176 Uiso 1 1 calc R U . . .
C52 C 0.4920(7) 0.7954(6) 0.8752(5) 0.139(3) Uani 1 1 d . . . . .
H52A H 0.552437 0.778889 0.909102 0.208 Uiso 1 1 calc R U . . .
H52B H 0.418217 0.814489 0.901023 0.208 Uiso 1 1 calc R U . . .
H52C H 0.505065 0.853348 0.830180 0.208 Uiso 1 1 calc R U . . .
C53 C 0.4710(6) 0.6094(7) 0.9195(4) 0.162(4) Uani 1 1 d . . . . .
H53A H 0.468046 0.550397 0.903857 0.244 Uiso 1 1 calc R U . . .
H53B H 0.398366 0.629780 0.946154 0.244 Uiso 1 1 calc R U . . .
H53C H 0.532502 0.589997 0.953135 0.244 Uiso 1 1 calc R U . . .
N1 N 0.7467(3) 0.9069(2) 0.13150(15) 0.0347(6) Uani 1 1 d . . . . .
N2 N 0.9137(3) 1.0990(2) -0.12184(18) 0.0454(8) Uani 1 1 d . . . . .
N3 N 0.7584(3) 0.4916(2) 0.84454(15) 0.0359(6) Uani 1 1 d . . . . .
N4 N 0.8992(3) 0.2583(3) 1.09430(17) 0.0473(8) Uani 1 1 d . . . . .
O1 O 0.7291(3) 0.7611(2) 0.07307(15) 0.0530(7) Uani 1 1 d . . . . .
O2 O 0.5900(3) 0.8591(3) 0.26133(17) 0.0631(8) Uani 1 1 d . . . . .
O3A O 0.5095(9) 0.7764(8) 0.4155(4) 0.138(4) Uani 0.572(9) 1 d . . P B 1
H3A H 0.520435 0.763860 0.374529 0.206 Uiso 0.572(9) 1 calc R U P B 1
O3B O 0.4837(12) 0.8648(13) 0.4762(5) 0.172(8) Uani 0.428(9) 1 d D . P B 2
H3B H 0.476056 0.921085 0.484395 0.258 Uiso 0.428(9) 1 calc R U P B 2
O4 O 0.9486(3) 1.1003(2) -0.18816(17) 0.0657(9) Uani 1 1 d . . . . .
O5 O 0.9182(3) 1.1706(2) -0.09821(17) 0.0715(10) Uani 1 1 d . . . . .
O6 O 0.7518(3) 0.65439(19) 0.89031(15) 0.0529(7) Uani 1 1 d . . . . .
O7 O 0.6008(2) 0.5813(2) 0.73148(15) 0.0493(7) Uani 1 1 d . . . . .
O8 O 0.5044(6) 0.5875(4) 0.5236(3) 0.141(2) Uani 1 1 d . . . . .
H8 H 0.490332 0.647770 0.493517 0.211 Uiso 1 1 calc R U . . .
O9 O 0.9431(3) 0.2495(2) 1.15285(17) 0.0703(9) Uani 1 1 d . . . . .
O10 O 0.8792(3) 0.1822(2) 1.08189(17) 0.0671(9) Uani 1 1 d . . . . .
Sn1 Sn 0.65041(2) 0.77741(2) 0.18059(2) 0.03965(8) Uani 1 1 d . . . . .
Sn2 Sn 0.66162(2) 0.65382(2) 0.79804(2) 0.03888(8) Uani 1 1 d . . . . .


_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
C1 O1 1.314(4) . ?
C1 C2 1.400(5) . ?
C1 C6 1.421(5) . ?
C2 C3 1.374(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.380(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.393(5) . ?
C4 N2 1.447(4) . ?
C5 C6 1.376(5) . ?
C5 H5 0.9300 . ?
C6 N1 1.425(4) . ?
C7 N1 1.305(4) . ?
C7 C8 1.425(5) . ?
C7 H7 0.9300 . ?
C8 C13 1.401(5) . ?
C8 C9 1.415(5) . ?
C9 C10 1.373(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.390(6) . ?
C10 C15 1.535(6) . ?
C11 C12 1.371(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.413(5) . ?
C12 C14 1.508(7) . ?
C13 O2 1.318(4) . ?
C14 O3B 1.313(10) . ?
C14 O3A 1.345(10) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C17 1.502(8) . ?
C15 C16 1.514(8) . ?
C15 C18 1.525(6) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.494(8) . ?
C19 C22 1.504(7) . ?
C19 C21 1.539(8) . ?
C19 Sn1 2.158(5) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C25 1.495(8) . ?
C23 C24 1.499(9) . ?
C23 C26 1.520(8) . ?
C23 Sn1 2.155(5) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 O6 1.313(4) . ?
C27 C28 1.398(5) . ?
C27 C32 1.417(5) . ?
C28 C29 1.368(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.398(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.374(5) . ?
C30 N4 1.448(5) . ?
C31 C32 1.381(5) . ?
C31 H31 0.9300 . ?
C32 N3 1.426(4) . ?
C33 N3 1.303(4) . ?
C33 C34 1.420(5) . ?
C33 H33 0.9300 . ?
C34 C39 1.410(5) . ?
C34 C35 1.415(5) . ?
C35 C36 1.380(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.408(6) . ?
C36 C41 1.518(6) . ?
C37 C38 1.358(6) . ?
C37 H37 0.9300 . ?
C38 C39 1.408(5) . ?
C38 C40 1.522(6) . ?
C39 O7 1.319(4) . ?
C40 O8 1.381(6) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C44 1.479(8) . ?
C41 C42 1.520(8) . ?
C41 C43 1.542(10) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C48 1.507(11) . ?
C45 C46 1.521(8) . ?
C45 C47 1.520(9) . ?
C45 Sn2 2.153(5) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C50 C53 1.470(8) . ?
C50 C51 1.515(7) . ?
C50 C52 1.537(8) . ?
C50 Sn2 2.152(4) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
N1 Sn1 2.203(3) . ?
N2 O5 1.221(4) . ?
N2 O4 1.234(4) . ?
N3 Sn2 2.195(3) . ?
N4 O10 1.225(4) . ?
N4 O9 1.230(4) . ?
O1 Sn1 2.134(3) . ?
O2 Sn1 2.113(3) . ?
O3A H3A 0.8200 . ?
O3B H3B 0.8200 . ?
O6 Sn2 2.151(2) . ?
O7 Sn2 2.115(3) . ?
O8 H8 0.8200 . ?

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
O1 C1 C2 121.9(3) . . ?
O1 C1 C6 119.4(3) . . ?
C2 C1 C6 118.7(3) . . ?
C3 C2 C1 120.2(3) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C2 C3 C4 119.6(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 122.5(3) . . ?
C3 C4 N2 119.0(3) . . ?
C5 C4 N2 118.5(3) . . ?
C6 C5 C4 117.7(3) . . ?
C6 C5 H5 121.1 . . ?
C4 C5 H5 121.1 . . ?
C5 C6 C1 121.2(3) . . ?
C5 C6 N1 125.1(3) . . ?
C1 C6 N1 113.6(3) . . ?
N1 C7 C8 127.1(3) . . ?
N1 C7 H7 116.5 . . ?
C8 C7 H7 116.5 . . ?
C13 C8 C9 119.6(3) . . ?
C13 C8 C7 123.3(3) . . ?
C9 C8 C7 117.0(3) . . ?
C10 C9 C8 122.1(4) . . ?
C10 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
C9 C10 C11 116.6(4) . . ?
C9 C10 C15 122.8(4) . . ?
C11 C10 C15 120.6(4) . . ?
C12 C11 C10 124.1(4) . . ?
C12 C11 H11 118.0 . . ?
C10 C11 H11 118.0 . . ?
C11 C12 C13 119.1(4) . . ?
C11 C12 C14 122.8(4) . . ?
C13 C12 C14 118.1(4) . . ?
O2 C13 C8 123.2(3) . . ?
O2 C13 C12 118.3(4) . . ?
C8 C13 C12 118.5(4) . . ?
O3B C14 C12 117.0(7) . . ?
O3A C14 C12 114.5(6) . . ?
O3A C14 H14A 108.6 . . ?
C12 C14 H14A 108.6 . . ?
O3A C14 H14B 108.6 . . ?
C12 C14 H14B 108.6 . . ?
H14A C14 H14B 107.6 . . ?
C17 C15 C16 111.1(6) . . ?
C17 C15 C18 109.3(5) . . ?
C16 C15 C18 105.8(5) . . ?
C17 C15 C10 109.1(4) . . ?
C16 C15 C10 111.4(4) . . ?
C18 C15 C10 110.0(4) . . ?
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 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C22 113.5(6) . . ?
C20 C19 C21 109.5(6) . . ?
C22 C19 C21 107.7(5) . . ?
C20 C19 Sn1 106.4(4) . . ?
C22 C19 Sn1 111.0(3) . . ?
C21 C19 Sn1 108.7(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 C24 114.5(7) . . ?
C25 C23 C26 107.8(6) . . ?
C24 C23 C26 107.4(7) . . ?
C25 C23 Sn1 111.1(4) . . ?
C24 C23 Sn1 108.3(4) . . ?
C26 C23 Sn1 107.6(4) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O6 C27 C28 123.0(3) . . ?
O6 C27 C32 119.0(3) . . ?
C28 C27 C32 118.0(3) . . ?
C29 C28 C27 121.3(4) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C28 C29 C30 118.6(3) . . ?
C28 C29 H29 120.7 . . ?
C30 C29 H29 120.7 . . ?
C31 C30 C29 122.7(3) . . ?
C31 C30 N4 119.0(3) . . ?
C29 C30 N4 118.1(3) . . ?
C30 C31 C32 117.8(3) . . ?
C30 C31 H31 121.1 . . ?
C32 C31 H31 121.1 . . ?
C31 C32 C27 121.5(3) . . ?
C31 C32 N3 124.7(3) . . ?
C27 C32 N3 113.7(3) . . ?
N3 C33 C34 126.1(3) . . ?
N3 C33 H33 116.9 . . ?
C34 C33 H33 116.9 . . ?
C39 C34 C35 119.5(3) . . ?
C39 C34 C33 123.5(3) . . ?
C35 C34 C33 116.9(3) . . ?
C36 C35 C34 122.4(4) . . ?
C36 C35 H35 118.8 . . ?
C34 C35 H35 118.8 . . ?
C35 C36 C37 116.1(4) . . ?
C35 C36 C41 122.4(4) . . ?
C37 C36 C41 121.5(4) . . ?
C38 C37 C36 123.5(4) . . ?
C38 C37 H37 118.2 . . ?
C36 C37 H37 118.2 . . ?
C37 C38 C39 120.4(4) . . ?
C37 C38 C40 122.1(4) . . ?
C39 C38 C40 117.5(4) . . ?
O7 C39 C38 119.9(4) . . ?
O7 C39 C34 122.2(3) . . ?
C38 C39 C34 117.9(4) . . ?
O8 C40 C38 114.3(4) . . ?
O8 C40 H40A 108.7 . . ?
C38 C40 H40A 108.7 . . ?
O8 C40 H40B 108.7 . . ?
C38 C40 H40B 108.7 . . ?
H40A C40 H40B 107.6 . . ?
C44 C41 C36 112.8(5) . . ?
C44 C41 C42 110.3(6) . . ?
C36 C41 C42 112.4(4) . . ?
C44 C41 C43 107.6(7) . . ?
C36 C41 C43 107.4(5) . . ?
C42 C41 C43 105.9(6) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C48 C45 C46 109.5(6) . . ?
C48 C45 C47 110.1(8) . . ?
C46 C45 C47 111.8(7) . . ?
C48 C45 Sn2 108.8(4) . . ?
C46 C45 Sn2 108.4(4) . . ?
C47 C45 Sn2 108.2(4) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C53 C50 C51 111.8(6) . . ?
C53 C50 C52 110.2(6) . . ?
C51 C50 C52 108.4(5) . . ?
C53 C50 Sn2 108.4(4) . . ?
C51 C50 Sn2 109.6(3) . . ?
C52 C50 Sn2 108.5(4) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C7 N1 C6 120.9(3) . . ?
C7 N1 Sn1 125.1(2) . . ?
C6 N1 Sn1 113.4(2) . . ?
O5 N2 O4 121.9(3) . . ?
O5 N2 C4 119.1(3) . . ?
O4 N2 C4 119.0(3) . . ?
C33 N3 C32 121.3(3) . . ?
C33 N3 Sn2 124.5(2) . . ?
C32 N3 Sn2 113.0(2) . . ?
O10 N4 O9 122.1(3) . . ?
O10 N4 C30 118.5(3) . . ?
O9 N4 C30 119.3(3) . . ?
C1 O1 Sn1 116.8(2) . . ?
C13 O2 Sn1 129.1(3) . . ?
C14 O3A H3A 109.5 . . ?
C14 O3B H3B 109.5 . . ?
C27 O6 Sn2 116.0(2) . . ?
C39 O7 Sn2 126.3(2) . . ?
C40 O8 H8 109.5 . . ?
O2 Sn1 O1 154.84(10) . . ?
O2 Sn1 C23 100.40(18) . . ?
O1 Sn1 C23 95.48(17) . . ?
O2 Sn1 C19 92.00(17) . . ?
O1 Sn1 C19 93.01(16) . . ?
C23 Sn1 C19 129.0(2) . . ?
O2 Sn1 N1 81.06(10) . . ?
O1 Sn1 N1 75.01(10) . . ?
C23 Sn1 N1 111.23(17) . . ?
C19 Sn1 N1 119.50(15) . . ?
O7 Sn2 O6 154.44(10) . . ?
O7 Sn2 C50 94.41(16) . . ?
O6 Sn2 C50 93.62(15) . . ?
O7 Sn2 C45 98.60(17) . . ?
O6 Sn2 C45 95.31(17) . . ?
C50 Sn2 C45 128.3(2) . . ?
O7 Sn2 N3 80.33(10) . . ?
O6 Sn2 N3 74.53(10) . . ?
C50 Sn2 N3 118.64(15) . . ?
C45 Sn2 N3 112.8(2) . . ?

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
O1 C1 C2 C3 179.9(4) . . . . ?
C6 C1 C2 C3 0.6(6) . . . . ?
C1 C2 C3 C4 -1.0(7) . . . . ?
C2 C3 C4 C5 0.7(6) . . . . ?
C2 C3 C4 N2 -178.0(4) . . . . ?
C3 C4 C5 C6 0.1(6) . . . . ?
N2 C4 C5 C6 178.8(3) . . . . ?
C4 C5 C6 C1 -0.5(5) . . . . ?
C4 C5 C6 N1 -178.3(3) . . . . ?
O1 C1 C6 C5 -179.1(3) . . . . ?
C2 C1 C6 C5 0.1(6) . . . . ?
O1 C1 C6 N1 -1.1(5) . . . . ?
C2 C1 C6 N1 178.2(3) . . . . ?
N1 C7 C8 C13 -9.5(6) . . . . ?
N1 C7 C8 C9 174.6(3) . . . . ?
C13 C8 C9 C10 0.1(6) . . . . ?
C7 C8 C9 C10 176.1(4) . . . . ?
C8 C9 C10 C11 -2.5(6) . . . . ?
C8 C9 C10 C15 179.7(4) . . . . ?
C9 C10 C11 C12 1.9(7) . . . . ?
C15 C10 C11 C12 179.8(4) . . . . ?
C10 C11 C12 C13 1.2(7) . . . . ?
C10 C11 C12 C14 -177.7(5) . . . . ?
C9 C8 C13 O2 179.1(4) . . . . ?
C7 C8 C13 O2 3.4(6) . . . . ?
C9 C8 C13 C12 3.0(6) . . . . ?
C7 C8 C13 C12 -172.7(4) . . . . ?
C11 C12 C13 O2 -179.9(4) . . . . ?
C14 C12 C13 O2 -0.9(7) . . . . ?
C11 C12 C13 C8 -3.6(7) . . . . ?
C14 C12 C13 C8 175.3(5) . . . . ?
C11 C12 C14 O3B -20.9(13) . . . . ?
C13 C12 C14 O3B 160.2(10) . . . . ?
C11 C12 C14 O3A -123.6(7) . . . . ?
C13 C12 C14 O3A 57.5(8) . . . . ?
C9 C10 C15 C17 104.7(6) . . . . ?
C11 C10 C15 C17 -73.1(6) . . . . ?
C9 C10 C15 C16 -18.4(6) . . . . ?
C11 C10 C15 C16 163.8(5) . . . . ?
C9 C10 C15 C18 -135.4(5) . . . . ?
C11 C10 C15 C18 46.8(6) . . . . ?
O6 C27 C28 C29 178.8(4) . . . . ?
C32 C27 C28 C29 -1.2(7) . . . . ?
C27 C28 C29 C30 -1.0(7) . . . . ?
C28 C29 C30 C31 1.4(7) . . . . ?
C28 C29 C30 N4 -174.2(4) . . . . ?
C29 C30 C31 C32 0.6(6) . . . . ?
N4 C30 C31 C32 176.2(3) . . . . ?
C30 C31 C32 C27 -3.0(5) . . . . ?
C30 C31 C32 N3 -179.7(3) . . . . ?
O6 C27 C32 C31 -176.7(4) . . . . ?
C28 C27 C32 C31 3.2(6) . . . . ?
O6 C27 C32 N3 0.3(5) . . . . ?
C28 C27 C32 N3 -179.7(4) . . . . ?
N3 C33 C34 C39 -12.0(6) . . . . ?
N3 C33 C34 C35 169.3(4) . . . . ?
C39 C34 C35 C36 0.9(6) . . . . ?
C33 C34 C35 C36 179.7(4) . . . . ?
C34 C35 C36 C37 -3.3(7) . . . . ?
C34 C35 C36 C41 179.6(4) . . . . ?
C35 C36 C37 C38 2.1(7) . . . . ?
C41 C36 C37 C38 179.1(5) . . . . ?
C36 C37 C38 C39 1.7(7) . . . . ?
C36 C37 C38 C40 -180.0(5) . . . . ?
C37 C38 C39 O7 177.4(4) . . . . ?
C40 C38 C39 O7 -1.0(6) . . . . ?
C37 C38 C39 C34 -4.1(6) . . . . ?
C40 C38 C39 C34 177.5(4) . . . . ?
C35 C34 C39 O7 -178.7(4) . . . . ?
C33 C34 C39 O7 2.6(6) . . . . ?
C35 C34 C39 C38 2.8(6) . . . . ?
C33 C34 C39 C38 -175.9(4) . . . . ?
C37 C38 C40 O8 0.0(8) . . . . ?
C39 C38 C40 O8 178.4(5) . . . . ?
C35 C36 C41 C44 -146.8(7) . . . . ?
C37 C36 C41 C44 36.3(9) . . . . ?
C35 C36 C41 C42 -21.3(8) . . . . ?
C37 C36 C41 C42 161.9(6) . . . . ?
C35 C36 C41 C43 94.8(7) . . . . ?
C37 C36 C41 C43 -82.1(7) . . . . ?
C8 C7 N1 C6 176.0(3) . . . . ?
C8 C7 N1 Sn1 -13.7(5) . . . . ?
C5 C6 N1 C7 -19.7(5) . . . . ?
C1 C6 N1 C7 162.3(3) . . . . ?
C5 C6 N1 Sn1 169.0(3) . . . . ?
C1 C6 N1 Sn1 -9.0(4) . . . . ?
C3 C4 N2 O5 176.3(4) . . . . ?
C5 C4 N2 O5 -2.5(5) . . . . ?
C3 C4 N2 O4 -4.5(5) . . . . ?
C5 C4 N2 O4 176.7(3) . . . . ?
C34 C33 N3 C32 178.3(3) . . . . ?
C34 C33 N3 Sn2 -15.3(5) . . . . ?
C31 C32 N3 C33 -29.6(5) . . . . ?
C27 C32 N3 C33 153.5(3) . . . . ?
C31 C32 N3 Sn2 162.5(3) . . . . ?
C27 C32 N3 Sn2 -14.4(4) . . . . ?
C31 C30 N4 O10 -9.2(6) . . . . ?
C29 C30 N4 O10 166.6(4) . . . . ?
C31 C30 N4 O9 171.7(4) . . . . ?
C29 C30 N4 O9 -12.6(6) . . . . ?
C2 C1 O1 Sn1 -168.0(3) . . . . ?
C6 C1 O1 Sn1 11.2(5) . . . . ?
C8 C13 O2 Sn1 27.7(6) . . . . ?
C12 C13 O2 Sn1 -156.2(3) . . . . ?
C28 C27 O6 Sn2 -165.4(3) . . . . ?
C32 C27 O6 Sn2 14.6(5) . . . . ?
C38 C39 O7 Sn2 -146.6(3) . . . . ?
C34 C39 O7 Sn2 35.0(5) . . . . ?

_refine_diff_density_max         1.407
_refine_diff_density_min         -0.624
_refine_diff_density_rms         0.088

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_6
_database_code_depnum_ccdc_archive 'CCDC 2270678'
loop_
_audit_author_name
_audit_author_address
'Hari Pada Nayek'
;Indian Institute of Technology (ISM) Dhanbad
India
;
_audit_update_record             
;
2024-05-07 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2024-04-22
_audit_creation_method           
;
Olex2 1.5-dev
(compiled 2024.04.08 svn.rfee37e2d for OlexSys, GUI svn.r6697)
;
_chemical_formula_moiety         'C25 H34 N2 O4 Sn'
_chemical_formula_sum            'C25 H34 N2 O4 Sn'
_chemical_formula_weight         545.270
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00313 0.00162 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
N 0.00612 0.00332 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
O 0.01085 0.00610 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
Sn -0.62528 1.43050 19.18890 19.10050 4.45850 2.46630 5.83030 0.50310 26.89090
83.95710 4.78210 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   10.3748(7)
_cell_length_b                   10.7560(6)
_cell_length_c                   13.2715(6)
_cell_angle_alpha                90.075(4)
_cell_angle_beta                 110.462(5)
_cell_angle_gamma                111.715(6)
_cell_volume                     1274.47(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3869
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.9360
_cell_measurement_theta_min      2.8260
_exptl_absorpt_coefficient_mu    1.034
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56734
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_description       block
_exptl_crystal_F_000             559.089
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_unetI/netI     0.1125
_diffrn_reflns_Laue_measured_fraction_full 0.9998
_diffrn_reflns_Laue_measured_fraction_max 0.9998
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11420
_diffrn_reflns_point_group_measured_fraction_full 0.9998
_diffrn_reflns_point_group_measured_fraction_max 0.9998
_diffrn_reflns_theta_full        24.9999
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.06
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.0303
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.9998
_diffrn_measured_fraction_theta_max 0.9998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     39.00  86.00   1.00   17.82    --   14.53 178.00  60.00   47
  2  ω     17.00  53.00   1.00   17.82    --   14.53 -99.00 -90.00   36
  3  ω    -12.00  13.00   1.00   17.82    --   14.53  77.00-120.00   25
  4  ω    -12.00  37.00   1.00   17.82    --   14.53  77.00  90.00   49
  5  ω    -66.00  40.00   1.00   17.82    --  -16.64  -4.00 134.00  106
  6  ω    -35.00   5.00   1.00   17.82    --  -16.64 -77.00 -30.00   40
  7  ω    -78.00   1.00   1.00   17.82    --  -16.64 -38.00  90.00   79
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -12
_reflns_limit_k_max              12
_reflns_limit_k_min              -12
_reflns_limit_l_max              15
_reflns_limit_l_min              0
_reflns_number_gt                3130
_reflns_number_total             4491
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5-dev (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.8753
_refine_diff_density_min         -0.7555
_refine_diff_density_rms         0.1467
_refine_ls_d_res_high            0.8409
_refine_ls_d_res_low             9.8795
_refine_ls_goodness_of_fit_ref   0.8868
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    64
_refine_ls_number_parameters     375
_refine_ls_number_reflns         4491
_refine_ls_number_restraints     212
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0392
_refine_ls_restrained_S_all      0.8648
_refine_ls_shift/su_max          -0.0003
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0302P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0668
_refine_ls_wR_factor_ref         0.0727
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C22-C23A \\sim C22A-C23B
 with sigma of 0.02
 C22-Sn1 \\sim C22A-Sn1
 with sigma of 0.02
 C23A-H23a \\sim C23B-H23c
 with sigma of 0.02
 C23A-H23b \\sim C23B-H23d
 with sigma of 0.02
 C23A-C24A \\sim C23B-C24B
 with sigma of 0.02
 C24A-H24a \\sim C24B-H24c
 with sigma of 0.02
 C24A-H24b \\sim C24B-H24d
 with sigma of 0.02
 C24A-C25 \\sim C24B-C25A
 with sigma of 0.02
 C25-H25a \\sim C25A-H25d
 with sigma of 0.02
 C25-H25b \\sim C25A-H25e
 with sigma of 0.02
 C25-H25c \\sim C25A-H25f
 with sigma of 0.02
 C22-H23a \\sim C22A-H23c
 with sigma of 0.04
 C22-H23b \\sim C22A-H23d
 with sigma of 0.04
 C22-C24A \\sim C22A-C24B
 with sigma of 0.04
 C23A-H24a \\sim C23B-H24c
 with sigma of 0.04
 C23A-H24b \\sim C23B-H24d
 with sigma of 0.04
 C23A-C25 \\sim C23B-C25A
 with sigma of 0.04
 C23A-Sn1 \\sim C23B-Sn1
 with sigma of 0.04
 H23a-H23b \\sim H23c-H23d
 with sigma of 0.04
 H23a-C24A \\sim H23c-C24B
 with sigma of 0.04
 H23b-C24A \\sim H23d-C24B
 with sigma of 0.04
 C24A-H25a \\sim C24B-H25d
 with sigma of 0.04
 C24A-H25b \\sim C24B-H25e
 with sigma of 0.04
 C24A-H25c \\sim C24B-H25f
 with sigma of 0.04
 H24a-H24b \\sim H24c-H24d
 with sigma of 0.04
 H24a-C25 \\sim H24c-C25A
 with sigma of 0.04
 H24b-C25 \\sim H24d-C25A
 with sigma of 0.04
 H25a-H25b \\sim H25d-H25e
 with sigma of 0.04
 H25a-H25c \\sim H25d-H25f
 with sigma of 0.04
 H25b-H25c \\sim H25e-H25f
 with sigma of 0.04
 C10-C14 \\sim C10-C14a
 with sigma of 0.02
 C14-C15 \\sim C14a-C15a
 with sigma of 0.02
 C15-H15a \\sim C15a-H15d
 with sigma of 0.02
 C15-H15b \\sim C15a-H15e
 with sigma of 0.02
 C15-H15c \\sim C15a-H15f
 with sigma of 0.02
 C10-C15 \\sim C10-C15a
 with sigma of 0.04
 C14-H15a \\sim C14a-H15d
 with sigma of 0.04
 C14-H15b \\sim C14a-H15e
 with sigma of 0.04
 C14-H15c \\sim C14a-H15f
 with sigma of 0.04
 H15a-H15b \\sim H15d-H15e
 with sigma of 0.04
 H15a-H15c \\sim H15d-H15f
 with sigma of 0.04
 H15b-H15c \\sim H15e-H15f
 with sigma of 0.04
 C14-C17 \\sim C14a-C17a
 with sigma of 0.02
 C17-H17a \\sim C17a-H17d
 with sigma of 0.02
 C17-H17b \\sim C17a-H17e
 with sigma of 0.02
 C17-H17c \\sim C17a-H17f
 with sigma of 0.02
 C10-C17 \\sim C10-C17a
 with sigma of 0.04
 C14-H17a \\sim C14a-H17d
 with sigma of 0.04
 C14-H17b \\sim C14a-H17e
 with sigma of 0.04
 C14-H17c \\sim C14a-H17f
 with sigma of 0.04
 C15-C17 \\sim C15a-C17a
 with sigma of 0.04
 H17a-H17b \\sim H17d-H17e
 with sigma of 0.04
 H17a-H17c \\sim H17d-H17f
 with sigma of 0.04
 H17b-H17c \\sim H17e-H17f
 with sigma of 0.04
 C14-C16 \\sim C14a-C16a
 with sigma of 0.02
 C16-H16a \\sim C16a-H16d
 with sigma of 0.02
 C16-H16b \\sim C16a-H16e
 with sigma of 0.02
 C16-H16c \\sim C16a-H16f
 with sigma of 0.02
 C10-C16 \\sim C10-C16a
 with sigma of 0.04
 C14-H16a \\sim C14a-H16d
 with sigma of 0.04
 C14-H16b \\sim C14a-H16e
 with sigma of 0.04
 C14-H16c \\sim C14a-H16f
 with sigma of 0.04
 C15-C16 \\sim C15a-C16a
 with sigma of 0.04
 C16-C17 \\sim C16a-C17a
 with sigma of 0.04
 H16a-H16b \\sim H16d-H16e
 with sigma of 0.04
 H16a-H16c \\sim H16d-H16f
 with sigma of 0.04
 H16b-H16c \\sim H16e-H16f
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C25A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C25) \\sim Ueq, Uanis(C25A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C14a) = Uanis(C14)
4. Rigid body (RIGU) restrains
 C23A, C22, C24A, C25
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C25A, C22A, C23B, C24B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C10, C14a, C15a, C16a, C17a
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Others
 Sof(C22A)=Sof(H22c)=Sof(H22d)=Sof(C23B)=Sof(H23c)=Sof(H23d)=Sof(C24B)=
 Sof(H24c)=Sof(H24d)=Sof(C25A)=Sof(H25d)=Sof(H25e)=Sof(H25f)=1-FVAR(1)
 Sof(C22)=Sof(H22a)=Sof(H22b)=Sof(C23A)=Sof(H23a)=Sof(H23b)=Sof(C24A)=
 Sof(H24a)=Sof(H24b)=Sof(C25)=Sof(H25a)=Sof(H25b)=Sof(H25c)=FVAR(1)
 Sof(C14a)=Sof(C15a)=Sof(H15d)=Sof(H15e)=Sof(H15f)=Sof(C17a)=Sof(H17d)=
 Sof(H17e)=Sof(H17f)=Sof(C16a)=Sof(H16d)=Sof(H16e)=Sof(H16f)=1-FVAR(2)
 Sof(C14)=Sof(C15)=Sof(H15a)=Sof(H15b)=Sof(H15c)=Sof(C16)=Sof(H16a)=Sof(H16b)=
 Sof(H16c)=Sof(C17)=Sof(H17a)=Sof(H17b)=Sof(H17c)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C18(H18a,H18b), C19(H19a,H19b), C20(H20a,H20b), C22(H22a,H22b), C23A(H23a,
 H23b), C24A(H24a,H24b), C22A(H22c,H22d), C23B(H23c,H23d), C24B(H24c,H24d)
6.b Me refined with riding coordinates:
 C15(H15a,H15b,H15c), C16(H16a,H16b,H16c), C17(H17a,H17b,H17c), C21(H21a,H21b,
 H21c), C15a(H15d,H15e,H15f), C17a(H17d,H17e,H17f), C16a(H16d,H16e,H16f)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C7(H7), C9(H9), C11(H11), C12(H12)
6.d Idealised Me refined as rotating group:
 C25(H25a,H25b,H25c), C25A(H25d,H25e,H25f)
;
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_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_group
C1 C 0.5804(5) 0.6876(4) 0.2705(3) 0.0530(11) Uani 1.000000 . . . .
C2 C 0.5191(5) 0.7458(4) 0.1819(3) 0.0662(13) Uani 1.000000 . . . .
H2 H 0.5206(5) 0.7233(4) 0.1148(3) 0.0795(16) Uiso 1.000000 R . . .
C3 C 0.4574(5) 0.8343(4) 0.1916(3) 0.0628(12) Uani 1.000000 . . . .
H3 H 0.4168(5) 0.8717(4) 0.1316(3) 0.0754(15) Uiso 1.000000 R . . .
C4 C 0.4552(5) 0.8683(4) 0.2909(3) 0.0547(11) Uani 1.000000 . . . .
C5 C 0.5124(4) 0.8124(3) 0.3814(3) 0.0516(11) Uani 1.000000 . . . .
H5 H 0.5083(4) 0.8351(3) 0.4475(3) 0.0620(13) Uiso 1.000000 R . . .
C6 C 0.5753(4) 0.7227(3) 0.3719(3) 0.0432(10) Uani 1.000000 . . . .
C7 C 0.6548(4) 0.6855(3) 0.5568(3) 0.0452(10) Uani 1.000000 . . . .
H7 H 0.6219(4) 0.7510(3) 0.5703(3) 0.0543(11) Uiso 1.000000 R . . .
C8 C 0.7174(4) 0.6275(3) 0.6478(3) 0.0422(9) Uani 1.000000 . . . .
C9 C 0.7401(4) 0.6852(3) 0.7526(3) 0.0475(10) Uani 1.000000 . . . .
H9 H 0.7147(4) 0.7587(3) 0.7576(3) 0.0570(12) Uiso 1.000000 R . . .
C10 C 0.7972(4) 0.6372(4) 0.8454(3) 0.0484(10) Uani 1.000000 D U . .
C11 C 0.8349(5) 0.5272(4) 0.8345(3) 0.0566(11) Uani 1.000000 . . . .
H11 H 0.8737(5) 0.4921(4) 0.8966(3) 0.0679(14) Uiso 1.000000 R . . .
C12 C 0.8167(5) 0.4690(4) 0.7356(3) 0.0547(11) Uani 1.000000 . . . .
H12 H 0.8451(5) 0.3970(4) 0.7325(3) 0.0657(13) Uiso 1.000000 R . . .
C13 C 0.7564(4) 0.5162(4) 0.6400(3) 0.0478(10) Uani 1.000000 . . . .
C14 C 0.8193(9) 0.6967(8) 0.9593(6) 0.0621(13) Uani 0.841(9) D . P 1
C15 C 0.7348(11) 0.5874(6) 1.0104(5) 0.115(4) Uani 0.841(9) D . P 1
H15a H 0.7658(11) 0.5134(6) 1.0121(5) 0.173(6) Uiso 0.841(9) DR . P 1
H15b H 0.7555(11) 0.6231(6) 1.0833(5) 0.173(6) Uiso 0.841(9) DR . P 1
H15c H 0.6293(11) 0.5560(6) 0.9685(5) 0.173(6) Uiso 0.841(9) DR . P 1
C16 C 0.7709(10) 0.8137(7) 0.9565(4) 0.096(3) Uani 0.841(9) D . P 1
H16a H 0.8250(10) 0.8832(7) 0.9239(4) 0.144(5) Uiso 0.841(9) DR . P 1
H16b H 0.6655(10) 0.7826(7) 0.9146(4) 0.144(5) Uiso 0.841(9) DR . P 1
H16c H 0.7916(10) 0.8496(7) 1.0293(4) 0.144(5) Uiso 0.841(9) DR . P 1
C17 C 0.9885(8) 0.7517(8) 1.0319(5) 0.100(3) Uani 0.841(9) D . P 1
H17a H 1.0438(8) 0.8216(8) 1.0002(5) 0.150(4) Uiso 0.841(9) DR . P 1
H17b H 1.0038(8) 0.7881(8) 1.1032(5) 0.150(4) Uiso 0.841(9) DR . P 1
H17c H 1.0227(8) 0.6794(8) 1.0373(5) 0.150(4) Uiso 0.841(9) DR . P 1
C18 C 0.6634(5) 0.3370(4) 0.3198(3) 0.0704(13) Uani 1.000000 . . . .
H18a H 0.5555(5) 0.3028(4) 0.2825(3) 0.0845(16) Uiso 1.000000 R . . .
H18b H 0.6858(5) 0.2771(4) 0.3716(3) 0.0845(16) Uiso 1.000000 R . . .
C19 C 0.7346(7) 0.3357(5) 0.2373(4) 0.107(2) Uani 1.000000 . . . .
H19a H 0.7003(7) 0.3851(5) 0.1798(4) 0.128(2) Uiso 1.000000 R . . .
H19b H 0.8424(7) 0.3823(5) 0.2727(4) 0.128(2) Uiso 1.000000 R . . .
C20 C 0.6978(10) 0.1954(7) 0.1880(6) 0.180(4) Uani 1.000000 . . . .
H20a H 0.7129(10) 0.1424(7) 0.2469(6) 0.217(5) Uiso 1.000000 R . . .
H20b H 0.5918(10) 0.1564(7) 0.1430(6) 0.217(5) Uiso 1.000000 R . . .
C21 C 0.7686(10) 0.1788(8) 0.1304(7) 0.220(4) Uani 1.000000 . . . .
H21a H 0.7329(10) 0.0842(8) 0.1047(7) 0.330(6) Uiso 1.000000 R . . .
H21b H 0.7520(10) 0.2270(8) 0.0694(7) 0.330(6) Uiso 1.000000 R . . .
H21c H 0.8737(10) 0.2130(8) 0.1739(7) 0.330(6) Uiso 1.000000 R . . .
C22 C 0.9723(16) 0.6767(12) 0.4705(12) 0.059(3) Uani 0.589(14) D U P 1
H22a H 1.0303(16) 0.6422(12) 0.4436(12) 0.070(4) Uiso 0.589(14) R . P 1
H22b H 1.0096(16) 0.6808(12) 0.5489(12) 0.070(4) Uiso 0.589(14) R . P 1
C23A C 1.0010(10) 0.8179(9) 0.4453(7) 0.083(4) Uani 0.589(14) D U P 1
H23a H 0.9266(10) 0.8452(9) 0.4554(7) 0.099(4) Uiso 0.589(14) DR . P 1
H23b H 1.0984(10) 0.8784(9) 0.4967(7) 0.099(4) Uiso 0.589(14) DR . P 1
C24A C 0.9970(13) 0.8342(11) 0.3322(8) 0.106(4) Uani 0.589(14) D U P 1
H24a H 1.0671(13) 0.8026(11) 0.3194(8) 0.127(5) Uiso 0.589(14) DR . P 1
H24b H 0.8974(13) 0.7801(11) 0.2798(8) 0.127(5) Uiso 0.589(14) DR . P 1
C25 C 1.0383(19) 0.9829(14) 0.3173(13) 0.122(6) Uani 0.589(14) D U P 1
H25a H 0.971(6) 1.015(3) 0.333(6) 0.184(9) Uiso 0.589(14) DGR . P 1
H25b H 1.139(4) 1.0354(18) 0.366(5) 0.184(9) Uiso 0.589(14) DGR . P 1
H25c H 1.030(9) 0.9919(17) 0.244(2) 0.184(9) Uiso 0.589(14) DGR . P 1
N1 N 0.6385(3) 0.6566(3) 0.4558(2) 0.0432(8) Uani 1.000000 . . . .
N2 N 0.3898(5) 0.9639(4) 0.3021(3) 0.0772(12) Uani 1.000000 . . . .
O1 O 0.6410(3) 0.6033(3) 0.26219(18) 0.0679(9) Uani 1.000000 . . . .
O2 O 0.7331(3) 0.4524(2) 0.54530(19) 0.0604(8) Uani 1.000000 . . . .
O3 O 0.3947(5) 0.9983(4) 0.3900(3) 0.1345(18) Uani 1.000000 . . . .
O4 O 0.3335(4) 1.0077(3) 0.2210(2) 0.0992(12) Uani 1.000000 . . . .
Sn1 Sn 0.74167(3) 0.53334(3) 0.404436(19) 0.05035(12) Uani 1.000000 D . . .
C22A C 0.963(3) 0.6527(19) 0.4390(17) 0.076(6) Uani 0.411(14) D U P 2
H22c H 1.004(3) 0.6954(19) 0.5140(17) 0.091(8) Uiso 0.411(14) R . P 2
H22d H 1.011(3) 0.5919(19) 0.4368(17) 0.091(8) Uiso 0.411(14) R . P 2
C23B C 1.014(2) 0.7625(14) 0.3749(12) 0.103(6) Uani 0.411(14) D U P 2
H23c H 1.119(2) 0.7859(14) 0.3904(12) 0.15(7) Uiso 0.411(14) DR . P 2
H23d H 0.960(2) 0.7272(14) 0.2980(12) 0.11(4) Uiso 0.411(14) DR . P 2
C24B C 0.993(2) 0.8881(15) 0.3973(13) 0.123(7) Uani 0.411(14) D U P 2
H24c H 0.902(2) 0.8633(15) 0.4119(13) 0.13(6) Uiso 0.411(14) DR . P 2
H24d H 1.076(2) 0.9434(15) 0.4624(13) 0.14(5) Uiso 0.411(14) DR . P 2
C25A C 0.983(3) 0.975(2) 0.3011(17) 0.104(7) Uani 0.411(14) D U P 2
H25d H 1.056(8) 0.978(10) 0.272(6) 0.5(3) Uiso 0.411(14) DGR . P 2
H25e H 0.885(4) 0.935(6) 0.245(4) 0.09(4) Uiso 0.411(14) DGR . P 2
H25f H 1.002(13) 1.066(3) 0.328(2) 1.0(6) Uiso 0.411(14) DGR . P 2
C14a C 0.820(4) 0.701(3) 0.957(3) 0.0621(13) Uani 0.159(9) D U P 2
C15a C 0.904(5) 0.642(4) 1.0451(18) 0.092(11) Uani 0.159(9) D U P 2
H15d H 0.999(5) 0.659(4) 1.0412(18) 0.02(5) Uiso 0.159(9) DR . P 2
H15e H 0.919(5) 0.684(4) 1.1145(18) 0.05(6) Uiso 0.159(9) DR . P 2
H15f H 0.848(5) 0.547(4) 1.0364(18) 0.00(4) Uiso 0.159(9) DR . P 2
C16a C 0.668(4) 0.682(5) 0.955(3) 0.107(13) Uani 0.159(9) D U P 2
H16d H 0.621(4) 0.723(5) 0.896(3) 0.01(4) Uiso 0.159(9) DR . P 2
H16e H 0.607(4) 0.587(5) 0.945(3) 0.07(8) Uiso 0.159(9) DR . P 2
H16f H 0.679(4) 0.725(5) 1.023(3) 0.19(17) Uiso 0.159(9) DR . P 2
C17a C 0.913(4) 0.855(3) 0.970(2) 0.080(10) Uani 0.159(9) D U P 2
H17d H 0.860(4) 0.893(3) 0.914(2) 0.00(4) Uiso 0.159(9) DR . P 2
H17e H 0.930(4) 0.897(3) 1.040(2) 0.05(6) Uiso 0.159(9) DR . P 2
H17f H 1.008(4) 0.869(3) 0.966(2) 0.01(5) Uiso 0.159(9) DR . P 2


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
C1 C2 1.396(5) . ?
C1 C6 1.422(5) . ?
C1 O1 1.304(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.357(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.376(5) . ?
C4 C5 1.387(4) . ?
C4 N2 1.458(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.377(5) . ?
C6 N1 1.419(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.423(4) . ?
C7 N1 1.313(4) . ?
C8 C9 1.426(4) . ?
C8 C13 1.413(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.362(4) . ?
C10 C11 1.398(5) . ?
C10 C14 1.547(8) . ?
C10 C14a 1.53(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.374(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.393(4) . ?
C13 O2 1.331(4) . ?
C14 C15 1.505(9) . ?
C14 C16 1.514(8) . ?
C14 C17 1.552(9) . ?
C15 H15a 0.9600 . ?
C15 H15b 0.9600 . ?
C15 H15c 0.9600 . ?
C16 H16a 0.9600 . ?
C16 H16b 0.9600 . ?
C16 H16c 0.9600 . ?
C17 H17a 0.9600 . ?
C17 H17b 0.9600 . ?
C17 H17c 0.9600 . ?
C18 H18a 0.9700 . ?
C18 H18b 0.9700 . ?
C18 C19 1.522(6) . ?
C18 Sn1 2.114(4) . ?
C19 H19a 0.9700 . ?
C19 H19b 0.9700 . ?
C19 C20 1.500(7) . ?
C20 H20a 0.9700 . ?
C20 H20b 0.9700 . ?
C20 C21 1.283(8) . ?
C21 H21a 0.9600 . ?
C21 H21b 0.9600 . ?
C21 H21c 0.9600 . ?
C22 H22a 0.9700 . ?
C22 H22b 0.9700 . ?
C22 C23A 1.498(15) . ?
C22 Sn1 2.161(12) . ?
C23A H23a 0.9700 . ?
C23A H23b 0.9700 . ?
C23A C24A 1.499(14) . ?
C24A H24a 0.9700 . ?
C24A H24b 0.9700 . ?
C24A C25 1.527(14) . ?
C25 H25a 0.9600 . ?
C25 H25b 0.9600 . ?
C25 H25c 0.9600 . ?
N1 Sn1 2.220(3) . ?
N2 O3 1.201(4) . ?
N2 O4 1.219(4) . ?
O1 Sn1 2.104(2) . ?
O2 Sn1 2.079(2) . ?
Sn1 C22A 2.05(2) . ?
C22A H22c 0.9700 . ?
C22A H22d 0.9700 . ?
C22A C23B 1.50(2) . ?
C23B H23c 0.9700 . ?
C23B H23d 0.9700 . ?
C23B C24B 1.49(2) . ?
C24B H24c 0.9700 . ?
C24B H24d 0.9700 . ?
C24B C25A 1.583(18) . ?
C25A H25d 0.9600 . ?
C25A H25e 0.9600 . ?
C25A H25f 0.9600 . ?
C14a C15a 1.49(3) . ?
C14a C16a 1.51(3) . ?
C14a C17a 1.54(3) . ?
C15a H15d 0.9600 . ?
C15a H15e 0.9600 . ?
C15a H15f 0.9600 . ?
C16a H16d 0.9600 . ?
C16a H16e 0.9600 . ?
C16a H16f 0.9600 . ?
C17a H17d 0.9600 . ?
C17a H17e 0.9600 . ?
C17a H17f 0.9600 . ?

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
C6 C1 C2 118.1(4) . . ?
O1 C1 C2 122.0(3) . . ?
O1 C1 C6 119.9(3) . . ?
H2 C2 C1 119.2(2) . . ?
C3 C2 C1 121.5(4) . . ?
C3 C2 H2 119.2(2) . . ?
H3 C3 C2 120.2(2) . . ?
C4 C3 C2 119.5(3) . . ?
C4 C3 H3 120.2(2) . . ?
C5 C4 C3 121.6(4) . . ?
N2 C4 C3 119.9(3) . . ?
N2 C4 C5 118.5(3) . . ?
H5 C5 C4 120.5(2) . . ?
C6 C5 C4 119.0(3) . . ?
C6 C5 H5 120.5(2) . . ?
C5 C6 C1 120.2(3) . . ?
N1 C6 C1 113.5(3) . . ?
N1 C6 C5 126.3(3) . . ?
C8 C7 H7 116.51(19) . . ?
N1 C7 H7 116.5(2) . . ?
N1 C7 C8 127.0(3) . . ?
C9 C8 C7 117.4(3) . . ?
C13 C8 C7 123.9(3) . . ?
C13 C8 C9 118.7(3) . . ?
H9 C9 C8 118.61(19) . . ?
C10 C9 C8 122.8(3) . . ?
C10 C9 H9 118.6(2) . . ?
C11 C10 C9 116.9(3) . . ?
C14 C10 C9 123.4(4) . . ?
C14 C10 C11 119.7(4) . . ?
C14a C10 C9 121.5(13) . . ?
C14a C10 C11 121.5(13) . . ?
C14a C10 C14 2.2(15) . . ?
H11 C11 C10 118.7(2) . . ?
C12 C11 C10 122.5(3) . . ?
C12 C11 H11 118.7(2) . . ?
H12 C12 C11 119.5(2) . . ?
C13 C12 C11 121.0(3) . . ?
C13 C12 H12 119.5(2) . . ?
C12 C13 C8 118.1(3) . . ?
O2 C13 C8 122.7(3) . . ?
O2 C13 C12 119.1(3) . . ?
C15 C14 C10 109.8(5) . . ?
C16 C14 C10 112.9(5) . . ?
C16 C14 C15 109.7(7) . . ?
C17 C14 C10 108.6(6) . . ?
C17 C14 C15 108.6(7) . . ?
C17 C14 C16 107.1(6) . . ?
H15a C15 C14 109.5 . . ?
H15b C15 C14 109.5 . . ?
H15b C15 H15a 109.5 . . ?
H15c C15 C14 109.5 . . ?
H15c C15 H15a 109.5 . . ?
H15c C15 H15b 109.5 . . ?
H16a C16 C14 109.5 . . ?
H16b C16 C14 109.5 . . ?
H16b C16 H16a 109.5 . . ?
H16c C16 C14 109.5 . . ?
H16c C16 H16a 109.5 . . ?
H16c C16 H16b 109.5 . . ?
H17a C17 C14 109.5 . . ?
H17b C17 C14 109.5 . . ?
H17b C17 H17a 109.5 . . ?
H17c C17 C14 109.5 . . ?
H17c C17 H17a 109.5 . . ?
H17c C17 H17b 109.5 . . ?
H18b C18 H18a 107.9 . . ?
C19 C18 H18a 109.2(3) . . ?
C19 C18 H18b 109.2(3) . . ?
Sn1 C18 H18a 109.21(13) . . ?
Sn1 C18 H18b 109.21(11) . . ?
Sn1 C18 C19 112.0(3) . . ?
H19a C19 C18 109.0(3) . . ?
H19b C19 C18 109.0(3) . . ?
H19b C19 H19a 107.8 . . ?
C20 C19 C18 112.8(5) . . ?
C20 C19 H19a 109.0(4) . . ?
C20 C19 H19b 109.0(4) . . ?
H20a C20 C19 107.5(4) . . ?
H20b C20 C19 107.5(4) . . ?
H20b C20 H20a 107.0 . . ?
C21 C20 C19 119.2(7) . . ?
C21 C20 H20a 107.5(6) . . ?
C21 C20 H20b 107.5(6) . . ?
H21a C21 C20 109.5 . . ?
H21b C21 C20 109.5 . . ?
H21b C21 H21a 109.5 . . ?
H21c C21 C20 109.5 . . ?
H21c C21 H21a 109.5 . . ?
H21c C21 H21b 109.5 . . ?
H22b C22 H22a 107.4 . . ?
C23A C22 H22a 108.2(6) . . ?
C23A C22 H22b 108.2(6) . . ?
Sn1 C22 H22a 108.2(4) . . ?
Sn1 C22 H22b 108.2(4) . . ?
Sn1 C22 C23A 116.3(9) . . ?
H23a C23A C22 108.7(7) . . ?
H23b C23A C22 108.7(6) . . ?
H23b C23A H23a 107.6 . . ?
C24A C23A C22 114.0(10) . . ?
C24A C23A H23a 108.7(7) . . ?
C24A C23A H23b 108.7(5) . . ?
H24a C24A C23A 109.7(7) . . ?
H24b C24A C23A 109.7(5) . . ?
H24b C24A H24a 108.2 . . ?
C25 C24A C23A 109.9(11) . . ?
C25 C24A H24a 109.7(8) . . ?
C25 C24A H24b 109.7(8) . . ?
H25a C25 C24A 109.5 . . ?
H25b C25 C24A 109.5 . . ?
H25b C25 H25a 109.5 . . ?
H25c C25 C24A 109.5 . . ?
H25c C25 H25a 109.5 . . ?
H25c C25 H25b 109.5 . . ?
C7 N1 C6 121.7(3) . . ?
Sn1 N1 C6 113.0(2) . . ?
Sn1 N1 C7 124.4(2) . . ?
O3 N2 C4 119.6(3) . . ?
O4 N2 C4 118.1(4) . . ?
O4 N2 O3 122.2(4) . . ?
Sn1 O1 C1 117.9(2) . . ?
Sn1 O2 C13 128.2(2) . . ?
C22 Sn1 C18 125.6(4) . . ?
N1 Sn1 C18 135.69(15) . . ?
N1 Sn1 C22 98.7(4) . . ?
O1 Sn1 C18 92.08(13) . . ?
O1 Sn1 C22 104.8(4) . . ?
O1 Sn1 N1 75.33(10) . . ?
O2 Sn1 C18 90.26(13) . . ?
O2 Sn1 C22 98.1(4) . . ?
O2 Sn1 N1 82.09(9) . . ?
O2 Sn1 O1 149.83(11) . . ?
C22A Sn1 C18 115.7(6) . . ?
C22A Sn1 C22 11.9(8) . . ?
C22A Sn1 N1 108.4(6) . . ?
C22A Sn1 O1 100.1(6) . . ?
C22A Sn1 O2 105.9(6) . . ?
H22c C22A Sn1 106.5(5) . . ?
H22d C22A Sn1 106.5(6) . . ?
H22d C22A H22c 106.51223149(3) . . ?
C23B C22A Sn1 123.3(16) . . ?
C23B C22A H22c 106.5(9) . . ?
C23B C22A H22d 106.5(11) . . ?
H23c C23B C22A 108.6(12) . . ?
H23d C23B C22A 108.6(10) . . ?
H23d C23B H23c 107.6 . . ?
C24B C23B C22A 114.7(15) . . ?
C24B C23B H23c 108.6(11) . . ?
C24B C23B H23d 108.6(10) . . ?
H24c C24B C23B 108.8(11) . . ?
H24d C24B C23B 108.8(10) . . ?
H24d C24B H24c 107.66579118(3) . . ?
C25A C24B C23B 113.9(15) . . ?
C25A C24B H24c 108.8(12) . . ?
C25A C24B H24d 108.8(11) . . ?
H25d C25A C24B 109.5 . . ?
H25e C25A C24B 109.5 . . ?
H25e C25A H25d 109.5 . . ?
H25f C25A C24B 109.5 . . ?
H25f C25A H25d 109.5 . . ?
H25f C25A H25e 109.5 . . ?
C15a C14a C10 110(2) . . ?
C16a C14a C10 107(2) . . ?
C16a C14a C15a 114(3) . . ?
C17a C14a C10 108(2) . . ?
C17a C14a C15a 109(3) . . ?
C17a C14a C16a 108(3) . . ?
H15d C15a C14a 109.5 . . ?
H15e C15a C14a 109.5 . . ?
H15e C15a H15d 109.5 . . ?
H15f C15a C14a 109.5 . . ?
H15f C15a H15d 109.5 . . ?
H15f C15a H15e 109.5 . . ?
H16d C16a C14a 109.5 . . ?
H16e C16a C14a 109.5 . . ?
H16e C16a H16d 109.5 . . ?
H16f C16a C14a 109.5 . . ?
H16f C16a H16d 109.5 . . ?
H16f C16a H16e 109.5 . . ?
H17d C17a C14a 109.5 . . ?
H17e C17a C14a 109.5 . . ?
H17e C17a H17d 109.5 . . ?
H17f C17a C14a 109.5 . . ?
H17f C17a H17d 109.5 . . ?
H17f C17a H17e 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 C2 C3 C4 0.2(5) . . . . ?
C1 C6 C5 C4 -0.4(4) . . . . ?
C1 C6 N1 C7 174.1(3) . . . . ?
C1 C6 N1 Sn1 4.8(3) . . . . ?
C2 C3 C4 C5 -1.2(5) . . . . ?
C2 C3 C4 N2 179.7(4) . . . . ?
C3 C4 C5 C6 1.3(5) . . . . ?
C3 C4 N2 O3 -176.4(5) . . . . ?
C3 C4 N2 O4 2.5(5) . . . . ?
C4 C5 C6 N1 -180.0(3) . . . . ?
C5 C6 N1 C7 -6.3(5) . . . . ?
C5 C6 N1 Sn1 -175.6(3) . . . . ?
C6 N1 C7 C8 -179.4(3) . . . . ?
C7 C8 C9 C10 179.1(3) . . . . ?
C7 C8 C13 C12 -179.9(4) . . . . ?
C7 C8 C13 O2 -2.3(4) . . . . ?
C8 C9 C10 C11 0.4(4) . . . . ?
C8 C9 C10 C14 -178.7(5) . . . . ?
C8 C9 C10 C14a -179.9(16) . . . . ?
C8 C13 C12 C11 1.3(4) . . . . ?
C8 C13 O2 Sn1 33.4(5) . . . . ?
C9 C10 C11 C12 0.3(4) . . . . ?
C9 C10 C14 C15 122.7(7) . . . . ?
C9 C10 C14 C16 -0.1(6) . . . . ?
C9 C10 C14 C17 -118.7(6) . . . . ?
C9 C10 C14a C15a -172(3) . . . . ?
C9 C10 C14a C16a 63(2) . . . . ?
C9 C10 C14a C17a -53.1(18) . . . . ?
C10 C11 C12 C13 -1.2(5) . . . . ?
C11 C12 C13 O2 -176.4(4) . . . . ?
C12 C13 O2 Sn1 -149.0(3) . . . . ?
C18 C19 C20 C21 -169.2(8) . . . . ?
C22 C23A C24A C25 -176.0(11) . . . . ?
Sn1 C22A C23B C24B 75.7(15) . . . . ?
C22A C23B C24B C25A -156.2(18) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_id
C10 C14 1 31
C10 C15 1 36
C10 C16 1 59
C10 C17 1 47
C10 C14a 1 31
C10 C15a 1 36
C10 C16a 1 59
C10 C17a 1 47
C14 C15 1 32
C14 H15a 1 37
C14 H15b 1 38
C14 H15c 1 39
C14 C16 1 55
C14 H16a 1 60
C14 H16b 1 61
C14 H16c 1 62
C14 C17 1 43
C14 H17a 1 48
C14 H17b 1 49
C14 H17c 1 50
C15 H15a 1 33
C15 H15b 1 34
C15 H15c 1 35
C15 C16 1 63
C15 C17 1 51
H15a H15b 1 40
H15a H15c 1 41
H15b H15c 1 42
C16 H16a 1 56
C16 H16b 1 57
C16 H16c 1 58
C16 C17 1 64
H16a H16b 1 65
H16a H16c 1 66
H16b H16c 1 67
C17 H17a 1 44
C17 H17b 1 45
C17 H17c 1 46
H17a H17b 1 52
H17a H17c 1 53
H17b H17c 1 54
C22 C23A 1 1
C22 H23a 1 12
C22 H23b 1 13
C22 C24A 1 14
C22 Sn1 1 2
C23A H23a 1 3
C23A H23b 1 4
C23A C24A 1 5
C23A H24a 1 15
C23A H24b 1 16
C23A C25 1 17
C23A Sn1 1 18
H23a H23b 1 19
H23a C24A 1 20
H23b C24A 1 21
C24A H24a 1 6
C24A H24b 1 7
C24A C25 1 8
C24A H25a 1 22
C24A H25b 1 23
C24A H25c 1 24
H24a H24b 1 25
H24a C25 1 26
H24b C25 1 27
C25 H25a 1 9
C25 H25b 1 10
C25 H25c 1 11
H25a H25b 1 28
H25a H25c 1 29
H25b H25c 1 30
C22A Sn1 1 2
C22A C23B 1 1
C22A H23c 1 12
C22A H23d 1 13
C22A C24B 1 14
C23B Sn1 1 18
C23B H23c 1 3
C23B H23d 1 4
C23B C24B 1 5
C23B H24c 1 15
C23B H24d 1 16
C23B C25A 1 17
H23c H23d 1 19
H23c C24B 1 20
H23d C24B 1 21
C24B H24c 1 6
C24B H24d 1 7
C24B C25A 1 8
C24B H25d 1 22
C24B H25e 1 23
C24B H25f 1 24
H24c H24d 1 25
H24c C25A 1 26
H24d C25A 1 27
C25A H25d 1 9
C25A H25e 1 10
C25A H25f 1 11
H25d H25e 1 28
H25d H25f 1 29
H25e H25f 1 30
C14a C15a 1 32
C14a H15d 1 37
C14a H15e 1 38
C14a H15f 1 39
C14a C16a 1 55
C14a H16d 1 60
C14a H16e 1 61
C14a H16f 1 62
C14a C17a 1 43
C14a H17d 1 48
C14a H17e 1 49
C14a H17f 1 50
C15a H15d 1 33
C15a H15e 1 34
C15a H15f 1 35
C15a C16a 1 63
C15a C17a 1 51
H15d H15e 1 40
H15d H15f 1 41
H15e H15f 1 42
C16a H16d 1 56
C16a H16e 1 57
C16a H16f 1 58
C16a C17a 1 64
H16d H16e 1 65
H16d H16f 1 66
H16e H16f 1 67
C17a H17d 1 44
C17a H17e 1 45
C17a H17f 1 46
H17d H17e 1 52
H17d H17f 1 53
H17e H17f 1 54

loop_
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
_restr_equal_distance_class_average
_restr_equal_distance_class_esd
_restr_equal_distance_class_diff_max
1 0.0200 1.5002 0.0021 0.0021
2 0.0200 2.1054 0.0557 0.0557
3 0.0200 0.9700 0.0000 0.0000
4 0.0200 0.9700 0.0000 0.0000
5 0.0200 1.4948 0.0046 0.0046
6 0.0200 0.9700 0.0000 0.0000
7 0.0200 0.9700 0.0000 0.0000
8 0.0200 1.5553 0.0280 0.0280
9 0.0200 0.9600 0.0000 0.0000
10 0.0200 0.9600 0.0000 0.0000
11 0.0200 0.9600 0.0000 0.0000
12 0.0400 2.0305 0.0010 0.0010
13 0.0400 2.0305 0.0010 0.0010
14 0.0400 2.5168 0.0027 0.0027
15 0.0400 2.0323 0.0093 0.0093
16 0.0400 2.0323 0.0093 0.0093
17 0.0400 2.5271 0.0490 0.0490
18 0.0400 3.1322 0.0042 0.0042
19 0.0400 1.5655 0.0004 0.0004
20 0.0400 2.0257 0.0050 0.0050
21 0.0400 2.0257 0.0050 0.0050
22 0.0400 2.0823 0.0252 0.0252
23 0.0400 2.0823 0.0252 0.0252
24 0.0400 2.0823 0.0252 0.0252
25 0.0400 1.5687 0.0025 0.0025
26 0.0400 2.0865 0.0198 0.0198
27 0.0400 2.0865 0.0198 0.0198
28 0.0400 1.5677 0.0000 0.0000
29 0.0400 1.5677 0.0000 0.0000
30 0.0400 1.5677 0.0000 0.0000
31 0.0200 1.5403 0.0069 0.0069
32 0.0200 1.4991 0.0062 0.0062
33 0.0200 0.9600 0.0000 0.0000
34 0.0200 0.9600 0.0000 0.0000
35 0.0200 0.9600 0.0000 0.0000
36 0.0400 2.4894 0.0085 0.0085
37 0.0400 2.0318 0.0056 0.0056
38 0.0400 2.0318 0.0056 0.0056
39 0.0400 2.0318 0.0056 0.0056
40 0.0400 1.5677 0.0000 0.0000
41 0.0400 1.5677 0.0000 0.0000
42 0.0400 1.5677 0.0000 0.0000
43 0.0200 1.5479 0.0040 0.0040
44 0.0200 0.9600 0.0000 0.0000
45 0.0200 0.9600 0.0000 0.0000
46 0.0200 0.9600 0.0000 0.0000
47 0.0400 2.5012 0.0150 0.0150
48 0.0400 2.0757 0.0036 0.0036
49 0.0400 2.0757 0.0036 0.0036
50 0.0400 2.0757 0.0036 0.0036
51 0.0400 2.4769 0.0059 0.0059
52 0.0400 1.5677 0.0000 0.0000
53 0.0400 1.5677 0.0000 0.0000
54 0.0400 1.5677 0.0000 0.0000
55 0.0200 1.5095 0.0042 0.0042
56 0.0200 0.9600 0.0000 0.0000
57 0.0200 0.9600 0.0000 0.0000
58 0.0200 0.9600 0.0000 0.0000
59 0.0400 2.4992 0.0520 0.0520
60 0.0400 2.0412 0.0037 0.0037
61 0.0400 2.0412 0.0037 0.0037
62 0.0400 2.0412 0.0037 0.0037
63 0.0400 2.4938 0.0248 0.0248
64 0.0400 2.4684 0.0023 0.0023
65 0.0400 1.5677 0.0000 0.0000
66 0.0400 1.5677 0.0000 0.0000
67 0.0400 1.5677 0.0000 0.0000

loop_
_restr_RIGU_atom_site_label_1
_restr_RIGU_atom_site_label_2
_restr_RIGU_target_weight_param
_restr_RIGU_U13_diff
_restr_RIGU_U23_diff
_restr_RIGU_U33_diff
C10 C14a 0.010000 0.006820 0.003588 0.000216
C10 C15a 0.010000 -0.021101 -0.014627 0.007971
C10 C16a 0.010000 0.001831 0.012013 -0.014219
C10 C17a 0.010000 0.007694 -0.032108 -0.017307
C22 C23A 0.004000 0.001508 -0.005850 -0.006906
C22 C24A 0.004000 0.001610 0.000126 -0.010823
C23A C24A 0.004000 -0.004258 -0.004151 0.003917
C23A C25 0.004000 -0.012616 -0.003618 -0.012898
C24A C25 0.004000 0.004351 0.007664 -0.006042
C22A C23B 0.004000 0.002611 0.000257 -0.001881
C22A C24B 0.004000 0.008383 -0.005786 -0.020044
C23B C24B 0.004000 0.003785 -0.001532 0.005630
C23B C25A 0.004000 -0.005110 0.011478 -0.022308
C24B C25A 0.004000 0.002530 0.000791 -0.008190
C14a C15a 0.010000 -0.013419 0.003289 -0.022550
C14a C16a 0.010000 -0.003828 0.021029 -0.012319
C14a C17a 0.010000 0.007444 -0.013271 -0.027414
C15a C16a 0.010000 0.027348 0.032519 -0.015530
C15a C17a 0.010000 0.015542 -0.036344 0.013517
C16a C17a 0.010000 -0.029629 -0.007593 0.024493

loop_
_restr_U_iso_atom_site_label
_restr_U_iso_weight_param
C25 0.0100
C25A 0.0100
C25A 0.0050

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2270675'
loop_
_audit_author_name
_audit_author_address
'Hari Pada Nayek'
;Indian Institute of Technology (ISM) Dhanbad
India
;
_audit_update_record             
;
2024-05-07 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2024-04-21
_audit_creation_method           
;
Olex2 1.5-dev
(compiled 2024.04.08 svn.rfee37e2d for OlexSys, GUI svn.r6697)
;
_chemical_formula_moiety         'C30 H28 N2 O5 Sn, C H4 O'
_chemical_formula_sum            'C31 H32 N2 O6 Sn'
_chemical_formula_weight         647.320
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00313 0.00162 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
N 0.00612 0.00332 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
O 0.01085 0.00610 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
Sn -0.62528 1.43050 19.18890 19.10050 4.45850 2.46630 5.83030 0.50310 26.89090
83.95710 4.78210 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   10.7364(3)
_cell_length_b                   12.0005(3)
_cell_length_c                   12.1066(3)
_cell_angle_alpha                90.921(2)
_cell_angle_beta                 97.576(2)
_cell_angle_gamma                112.023(2)
_cell_volume                     1429.75(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15050
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1520
_cell_measurement_theta_min      2.4030
_exptl_absorpt_coefficient_mu    0.940
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.37385
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_description       block
_exptl_crystal_F_000             659.177
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_unetI/netI     0.0534
_diffrn_reflns_Laue_measured_fraction_full 0.9996
_diffrn_reflns_Laue_measured_fraction_max 0.9952
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23232
_diffrn_reflns_point_group_measured_fraction_full 0.9996
_diffrn_reflns_point_group_measured_fraction_max 0.9952
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.07
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.0303
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.9996
_diffrn_measured_fraction_theta_max 0.9952
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     39.00  67.00   1.00   21.83    --   13.76 178.00 -60.00   28
  2  ω    -81.00   1.00   1.00   21.83    --  -15.95 -38.00   0.00   82
  3  ω    -12.00  30.00   1.00   21.83    --  -15.95  86.00  17.55   42
  4  ω    -82.00  -8.00   1.00   21.83    --  -15.95 -57.00-150.00   74
  5  ω    -72.00  -1.00   1.00   21.83    --  -15.95 -57.00 -60.00   71
  6  ω    -42.00   7.00   1.00   21.83    --  -15.95 -77.00 120.00   49
  7  ω    -22.00  53.00   1.00   21.83    --  -15.95  19.00   0.00   75
  8  ω    -72.00 -39.00   1.00   21.83    --  -15.95 131.00  22.61   33
  9  ω    -29.00  50.00   1.00   21.83    --  -15.95  57.00 120.00   79
 10  ω    -11.00  53.00   1.00   21.83    --  -15.95  19.00 -60.00   64
 11  ω    -68.00 -39.00   1.00   21.83    --  -15.95 124.00 -89.94   29
 12  ω    -75.00 -26.00   1.00   21.83    --  -15.95 135.00 132.40   49
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              13
_reflns_limit_h_min              -13
_reflns_limit_k_max              15
_reflns_limit_k_min              -15
_reflns_limit_l_max              15
_reflns_limit_l_min              0
_reflns_number_gt                5590
_reflns_number_total             6211
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5-dev (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.6467
_refine_diff_density_min         -0.5416
_refine_diff_density_rms         0.0753
_refine_ls_d_res_high            0.7828
_refine_ls_d_res_low             9.8423
_refine_ls_goodness_of_fit_ref   1.0524
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    55
_refine_ls_number_parameters     367
_refine_ls_number_reflns         6211
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0275
_refine_ls_restrained_S_all      1.0524
_refine_ls_shift/su_max          0.0009
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0292P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0653
_refine_ls_wR_factor_ref         0.0667
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C14(H14a,H14b)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C7(H7), C9(H9), C11(H11), C20(H20), C21(H21),
 C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30)
2.c Idealised Me refined as rotating group:
 C16(H16a,H16b,H16c), C17(H17a,H17b,H17c), C18(H18a,H18b,H18c), C31(H31a,H31b,
 H31c)
2.d Idealised tetrahedral OH refined as rotating group:
 O3(H3a), O6(H6)
;
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_refinement_flags_posn
C1 C 0.5759(2) 0.03146(17) 0.32279(18) 0.0340(5) Uani 1.000000 .
C2 C 0.5618(2) -0.05030(18) 0.23446(19) 0.0399(5) Uani 1.000000 .
H2 H 0.4891(2) -0.06893(18) 0.17702(19) 0.0478(6) Uiso 1.000000 R
C3 C 0.6544(2) -0.10359(19) 0.23142(19) 0.0406(5) Uani 1.000000 .
H3 H 0.6441(2) -0.15894(19) 0.17289(19) 0.0487(6) Uiso 1.000000 R
C4 C 0.7633(2) -0.07380(18) 0.31678(19) 0.0366(5) Uani 1.000000 .
C5 C 0.7788(2) 0.00259(18) 0.40834(19) 0.0352(5) Uani 1.000000 .
H5 H 0.8517(2) 0.01950(18) 0.46545(19) 0.0422(6) Uiso 1.000000 R
C6 C 0.6836(2) 0.05320(17) 0.41302(17) 0.0305(4) Uani 1.000000 .
C7 C 0.74361(19) 0.13394(17) 0.60076(17) 0.0328(5) Uani 1.000000 .
H7 H 0.78865(19) 0.08129(17) 0.61131(17) 0.0393(6) Uiso 1.000000 R
C8 C 0.74853(19) 0.20619(17) 0.69609(17) 0.0302(4) Uani 1.000000 .
C9 C 0.8128(2) 0.18520(17) 0.79918(17) 0.0344(5) Uani 1.000000 .
H9 H 0.8531(2) 0.12878(17) 0.79941(17) 0.0413(6) Uiso 1.000000 R
C10 C 0.8181(2) 0.24404(18) 0.89784(18) 0.0347(5) Uani 1.000000 .
C11 C 0.7583(2) 0.33023(18) 0.89340(18) 0.0378(5) Uani 1.000000 .
H11 H 0.7627(2) 0.37328(18) 0.95935(18) 0.0454(6) Uiso 1.000000 R
C12 C 0.6935(2) 0.35402(18) 0.79611(19) 0.0364(5) Uani 1.000000 .
C13 C 0.68701(19) 0.29203(17) 0.69457(17) 0.0316(4) Uani 1.000000 .
C14 C 0.6248(3) 0.4435(2) 0.7938(2) 0.0515(6) Uani 1.000000 .
H14a H 0.6742(3) 0.5115(2) 0.7535(2) 0.0617(8) Uiso 1.000000 R
H14b H 0.5335(3) 0.4056(2) 0.7531(2) 0.0617(8) Uiso 1.000000 R
C15 C 0.8884(2) 0.2231(2) 1.01054(19) 0.0434(6) Uani 1.000000 .
C16 C 1.0129(3) 0.3350(3) 1.0512(3) 0.0824(11) Uani 1.000000 .
H16a H 1.0802(9) 0.3450(12) 1.0033(12) 0.1235(17) Uiso 1.000000 GR
H16b H 0.9883(5) 0.4041(4) 1.0501(19) 0.1235(17) Uiso 1.000000 GR
H16c H 1.0492(15) 0.3268(10) 1.1261(8) 0.1235(17) Uiso 1.000000 GR
C17 C 0.9304(4) 0.1161(3) 0.9991(2) 0.0860(11) Uani 1.000000 .
H17a H 0.8536(6) 0.0472(6) 0.9651(17) 0.1290(17) Uiso 1.000000 GR
H17b H 1.0012(16) 0.1353(8) 0.9533(15) 0.1290(17) Uiso 1.000000 GR
H17c H 0.963(2) 0.0983(13) 1.0717(3) 0.1290(17) Uiso 1.000000 GR
C18 C 0.7912(3) 0.1968(3) 1.0957(2) 0.0768(10) Uani 1.000000 .
H18a H 0.7628(16) 0.2631(8) 1.1037(13) 0.1151(14) Uiso 1.000000 GR
H18b H 0.7132(10) 0.1247(10) 1.0710(8) 0.1151(14) Uiso 1.000000 GR
H18c H 0.8360(7) 0.1861(18) 1.1664(5) 0.1151(14) Uiso 1.000000 GR
C19 C 0.7088(2) 0.37125(17) 0.35806(18) 0.0347(5) Uani 1.000000 .
C20 C 0.8466(2) 0.3993(2) 0.3858(2) 0.0474(6) Uani 1.000000 .
H20 H 0.8776(2) 0.3591(2) 0.4412(2) 0.0569(7) Uiso 1.000000 R
C21 C 0.9384(3) 0.4859(2) 0.3325(2) 0.0598(7) Uani 1.000000 .
H21 H 1.0310(3) 0.5041(2) 0.3520(2) 0.0717(9) Uiso 1.000000 R
C22 C 0.8937(3) 0.5452(2) 0.2507(3) 0.0665(8) Uani 1.000000 .
H22 H 0.9562(3) 0.6041(2) 0.2151(3) 0.0799(10) Uiso 1.000000 R
C23 C 0.7590(3) 0.5188(2) 0.2211(2) 0.0702(9) Uani 1.000000 .
H23 H 0.7295(3) 0.5587(2) 0.1646(2) 0.0842(11) Uiso 1.000000 R
C24 C 0.6655(2) 0.4331(2) 0.2744(2) 0.0511(7) Uani 1.000000 .
H24 H 0.5733(2) 0.4163(2) 0.2546(2) 0.0614(8) Uiso 1.000000 R
C25 C 0.3688(2) 0.24583(19) 0.42641(19) 0.0371(5) Uani 1.000000 .
C26 C 0.2682(2) 0.1764(2) 0.3417(2) 0.0433(6) Uani 1.000000 .
H26 H 0.2855(2) 0.1235(2) 0.2946(2) 0.0519(7) Uiso 1.000000 R
C27 C 0.1422(2) 0.1851(2) 0.3265(3) 0.0592(8) Uani 1.000000 .
H27 H 0.0754(2) 0.1381(2) 0.2693(3) 0.0711(9) Uiso 1.000000 R
C28 C 0.1154(3) 0.2616(3) 0.3943(3) 0.0681(9) Uani 1.000000 .
H28 H 0.0303(3) 0.2667(3) 0.3837(3) 0.0817(10) Uiso 1.000000 R
C29 C 0.2135(3) 0.3315(3) 0.4786(3) 0.0692(8) Uani 1.000000 .
H29 H 0.1950(3) 0.3840(3) 0.5251(3) 0.0830(10) Uiso 1.000000 R
C30 C 0.3404(2) 0.3240(2) 0.4945(2) 0.0542(7) Uani 1.000000 .
H30 H 0.4069(2) 0.3719(2) 0.5514(2) 0.0650(8) Uiso 1.000000 R
C31 C 0.5983(5) 0.7811(3) 0.9388(3) 0.1226(17) Uani 1.000000 .
H31a H 0.5157(10) 0.7956(16) 0.926(2) 0.184(3) Uiso 1.000000 GR
H31b H 0.667(2) 0.8477(6) 0.9840(12) 0.184(3) Uiso 1.000000 GR
H31c H 0.628(3) 0.7726(11) 0.8687(13) 0.184(3) Uiso 1.000000 GR
N1 N 0.68347(16) 0.13290(14) 0.50053(14) 0.0313(4) Uani 1.000000 .
N2 N 0.8668(2) -0.12297(17) 0.30740(18) 0.0485(5) Uani 1.000000 .
O1 O 0.49195(14) 0.08819(12) 0.32667(13) 0.0405(4) Uani 1.000000 .
O2 O 0.62372(16) 0.31663(13) 0.60275(12) 0.0449(4) Uani 1.000000 .
O3 O 0.6175(2) 0.48606(16) 0.90067(16) 0.0627(5) Uani 1.000000 .
H3a H 0.563(2) 0.4317(8) 0.9304(10) 0.0941(7) Uiso 1.000000 GR
O4 O 0.8562(2) -0.1860(2) 0.2240(2) 0.0870(7) Uani 1.000000 .
O5 O 0.96248(19) -0.09779(17) 0.38207(17) 0.0702(6) Uani 1.000000 .
O6 O 0.5758(3) 0.67701(19) 0.9933(2) 0.0887(7) Uani 1.000000 .
H6 H 0.607(4) 0.6342(17) 0.962(2) 0.1331(10) Uiso 1.000000 GR
Sn1 Sn 0.565847(12) 0.241292(11) 0.441047(11) 0.03144(6) Uani 1.000000 .


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
C1 C2 1.394(3) . ?
C1 C6 1.425(3) . ?
C1 O1 1.322(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.372(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.386(3) . ?
C4 C5 1.379(3) . ?
C4 N2 1.455(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.378(3) . ?
C6 N1 1.416(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.416(3) . ?
C7 N1 1.295(2) . ?
C8 C9 1.418(3) . ?
C8 C13 1.416(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.361(3) . ?
C10 C11 1.406(3) . ?
C10 C15 1.542(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.377(3) . ?
C12 C13 1.407(3) . ?
C12 C14 1.512(3) . ?
C13 O2 1.322(2) . ?
C14 H14a 0.9700 . ?
C14 H14b 0.9700 . ?
C14 O3 1.407(3) . ?
C15 C16 1.514(3) . ?
C15 C17 1.522(3) . ?
C15 C18 1.517(4) . ?
C16 H16a 0.9600 . ?
C16 H16b 0.9600 . ?
C16 H16c 0.9600 . ?
C17 H17a 0.9600 . ?
C17 H17b 0.9600 . ?
C17 H17c 0.9600 . ?
C18 H18a 0.9600 . ?
C18 H18b 0.9600 . ?
C18 H18c 0.9600 . ?
C19 C20 1.381(3) . ?
C19 C24 1.396(3) . ?
C19 Sn1 2.112(2) . y
C20 H20 0.9300 . ?
C20 C21 1.375(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.368(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.355(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.379(3) . ?
C24 H24 0.9300 . ?
C25 C26 1.385(3) . ?
C25 C30 1.381(3) . ?
C25 Sn1 2.121(2) . y
C26 H26 0.9300 . ?
C26 C27 1.385(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.356(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.371(4) . ?
C29 H29 0.9300 . ?
C29 C30 1.388(3) . ?
C30 H30 0.9300 . ?
C31 H31a 0.9600 . ?
C31 H31b 0.9600 . ?
C31 H31c 0.9600 . ?
C31 O6 1.377(4) . ?
N1 Sn1 2.1971(15) . y
N2 O4 1.219(3) . ?
N2 O5 1.216(2) . ?
O1 Sn1 2.1113(15) . y
O2 Sn1 2.0584(15) . y
O3 H3a 0.8200 . ?
O6 H6 0.8200 . ?

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
C6 C1 C2 118.65(19) . . ?
O1 C1 C2 122.47(18) . . ?
O1 C1 C6 118.9(2) . . ?
H2 C2 C1 119.68(12) . . ?
C3 C2 C1 120.6(2) . . ?
C3 C2 H2 119.68(13) . . ?
H3 C3 C2 120.46(13) . . ?
C4 C3 C2 119.1(2) . . ?
C4 C3 H3 120.46(14) . . ?
C5 C4 C3 122.6(2) . . ?
N2 C4 C3 118.4(2) . . ?
N2 C4 C5 119.06(19) . . ?
H5 C5 C4 120.87(12) . . ?
C6 C5 C4 118.26(19) . . ?
C6 C5 H5 120.87(13) . . ?
C5 C6 C1 120.5(2) . . ?
N1 C6 C1 113.62(18) . . ?
N1 C6 C5 125.78(18) . . ?
C8 C7 H7 116.33(10) . . ?
N1 C7 H7 116.33(12) . . ?
N1 C7 C8 127.33(18) . . ?
C9 C8 C7 117.05(18) . . ?
C13 C8 C7 123.73(18) . . ?
C13 C8 C9 119.1(2) . . ?
H9 C9 C8 118.57(13) . . ?
C10 C9 C8 122.86(19) . . ?
C10 C9 H9 118.57(12) . . ?
C11 C10 C9 116.71(18) . . ?
C15 C10 C9 123.6(2) . . ?
C15 C10 C11 119.7(2) . . ?
H11 C11 C10 118.42(12) . . ?
C12 C11 C10 123.2(2) . . ?
C12 C11 H11 118.42(14) . . ?
C13 C12 C11 119.9(2) . . ?
C14 C12 C11 122.4(2) . . ?
C14 C12 C13 117.71(18) . . ?
C12 C13 C8 118.23(18) . . ?
O2 C13 C8 123.4(2) . . ?
O2 C13 C12 118.41(18) . . ?
H14a C14 C12 108.88(13) . . ?
H14b C14 C12 108.88(13) . . ?
H14b C14 H14a 107.7 . . ?
O3 C14 C12 113.45(19) . . ?
O3 C14 H14a 108.88(13) . . ?
O3 C14 H14b 108.88(14) . . ?
C16 C15 C10 109.34(17) . . ?
C17 C15 C10 111.0(2) . . ?
C17 C15 C16 109.4(3) . . ?
C18 C15 C10 109.6(2) . . ?
C18 C15 C16 109.3(2) . . ?
C18 C15 C17 108.1(2) . . ?
H16a C16 C15 109.5 . . ?
H16b C16 C15 109.5 . . ?
H16b C16 H16a 109.5 . . ?
H16c C16 C15 109.5 . . ?
H16c C16 H16a 109.5 . . ?
H16c C16 H16b 109.5 . . ?
H17a C17 C15 109.5 . . ?
H17b C17 C15 109.5 . . ?
H17b C17 H17a 109.5 . . ?
H17c C17 C15 109.5 . . ?
H17c C17 H17a 109.5 . . ?
H17c C17 H17b 109.5 . . ?
H18a C18 C15 109.5 . . ?
H18b C18 C15 109.5 . . ?
H18b C18 H18a 109.5 . . ?
H18c C18 C15 109.5 . . ?
H18c C18 H18a 109.5 . . ?
H18c C18 H18b 109.5 . . ?
C24 C19 C20 118.2(2) . . ?
Sn1 C19 C20 121.50(15) . . ?
Sn1 C19 C24 120.28(16) . . ?
H20 C20 C19 119.63(13) . . ?
C21 C20 C19 120.7(2) . . ?
C21 C20 H20 119.63(15) . . ?
H21 C21 C20 119.98(15) . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21 119.98(16) . . ?
H22 C22 C21 119.77(16) . . ?
C23 C22 C21 120.5(2) . . ?
C23 C22 H22 119.77(16) . . ?
H23 C23 C22 119.84(16) . . ?
C24 C23 C22 120.3(2) . . ?
C24 C23 H23 119.84(15) . . ?
C23 C24 C19 120.2(2) . . ?
H24 C24 C19 119.88(13) . . ?
H24 C24 C23 119.88(15) . . ?
C30 C25 C26 118.5(2) . . ?
Sn1 C25 C26 119.99(18) . . ?
Sn1 C25 C30 121.35(16) . . ?
H26 C26 C25 119.78(14) . . ?
C27 C26 C25 120.4(2) . . ?
C27 C26 H26 119.78(17) . . ?
H27 C27 C26 119.74(17) . . ?
C28 C27 C26 120.5(2) . . ?
C28 C27 H27 119.74(15) . . ?
H28 C28 C27 119.97(15) . . ?
C29 C28 C27 120.1(2) . . ?
C29 C28 H28 119.97(18) . . ?
H29 C29 C28 119.99(18) . . ?
C30 C29 C28 120.0(3) . . ?
C30 C29 H29 119.99(17) . . ?
C29 C30 C25 120.5(2) . . ?
H30 C30 C25 119.75(13) . . ?
H30 C30 C29 119.75(17) . . ?
H31b C31 H31a 109.5 . . ?
H31c C31 H31a 109.5 . . ?
H31c C31 H31b 109.5 . . ?
O6 C31 H31a 109.5 . . ?
O6 C31 H31b 109.5 . . ?
O6 C31 H31c 109.5 . . ?
C7 N1 C6 121.44(17) . . ?
Sn1 N1 C6 110.73(11) . . ?
Sn1 N1 C7 127.81(15) . . ?
O4 N2 C4 119.0(2) . . ?
O5 N2 C4 118.9(2) . . ?
O5 N2 O4 122.1(2) . . ?
Sn1 O1 C1 114.61(12) . . ?
Sn1 O2 C13 134.21(14) . . ?
H3a O3 C14 109.5 . . ?
H6 O6 C31 109.5 . . ?
C25 Sn1 C19 116.77(8) . . y
N1 Sn1 C19 100.20(7) . . y
N1 Sn1 C25 142.60(7) . . y
O1 Sn1 C19 102.84(7) . . y
O1 Sn1 C25 90.34(7) . . y
O1 Sn1 N1 75.37(6) . . y
O2 Sn1 C19 101.08(7) . . y
O2 Sn1 C25 94.55(8) . . y
O2 Sn1 N1 83.16(6) . . y
O2 Sn1 O1 150.21(6) . . y

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 C2 C3 C4 -0.9(2) . . . . ?
C1 C6 C5 C4 -3.0(2) . . . . ?
C1 C6 N1 C7 158.10(17) . . . . ?
C1 C6 N1 Sn1 -20.05(17) . . . . ?
C2 C3 C4 C5 3.7(2) . . . . ?
C2 C3 C4 N2 -174.7(2) . . . . ?
C3 C4 C5 C6 -1.7(2) . . . . ?
C3 C4 N2 O4 1.8(2) . . . . ?
C3 C4 N2 O5 -179.7(2) . . . . ?
C4 C5 C6 N1 179.79(16) . . . . ?
C5 C6 N1 C7 -24.5(2) . . . . ?
C5 C6 N1 Sn1 157.31(17) . . . . ?
C6 N1 C7 C8 -178.27(17) . . . . ?
C7 C8 C9 C10 -176.49(18) . . . . ?
C7 C8 C13 C12 176.93(19) . . . . ?
C7 C8 C13 O2 -2.9(2) . . . . ?
C8 C9 C10 C11 -1.2(2) . . . . ?
C8 C9 C10 C15 -179.52(19) . . . . ?
C8 C13 C12 C11 -0.1(2) . . . . ?
C8 C13 C12 C14 -178.73(19) . . . . ?
C8 C13 O2 Sn1 8.5(3) . . . . ?
C9 C10 C11 C12 1.7(2) . . . . ?
C9 C10 C15 C16 112.0(3) . . . . ?
C9 C10 C15 C17 -8.8(3) . . . . ?
C9 C10 C15 C18 -128.2(2) . . . . ?
C10 C11 C12 C13 -1.1(2) . . . . ?
C10 C11 C12 C14 177.5(2) . . . . ?
C11 C12 C13 O2 179.78(19) . . . . ?
C11 C12 C14 O3 -8.4(2) . . . . ?
C12 C13 O2 Sn1 -171.37(12) . . . . ?
C19 C20 C21 C22 -0.2(3) . . . . ?
C19 C24 C23 C22 -1.1(3) . . . . ?
C20 C21 C22 C23 -0.4(3) . . . . ?
C21 C22 C23 C24 1.0(4) . . . . ?
C25 C26 C27 C28 -0.0(3) . . . . ?
C25 C30 C29 C28 -0.4(3) . . . . ?
C26 C27 C28 C29 0.2(3) . . . . ?
C27 C28 C29 C30 -0.0(3) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5
_database_code_depnum_ccdc_archive 'CCDC 2270679'
loop_
_audit_author_name
_audit_author_address
'Hari Pada Nayek'
;Indian Institute of Technology (ISM) Dhanbad
India
;
_audit_update_record             
;
2024-05-07 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2024-05-04
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2016.08.26 svn.r3337 for Rigaku Oxford Diffraction, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H34 N2 O4 Sn'
_chemical_formula_sum            'C25 H34 N2 O4 Sn'
_chemical_formula_weight         545.23
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.6108(4)
_cell_length_b                   13.7661(4)
_cell_length_c                   17.6211(5)
_cell_angle_alpha                79.327(2)
_cell_angle_beta                 81.161(3)
_cell_angle_gamma                77.032(3)
_cell_volume                     2678.62(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8984
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.7710
_cell_measurement_theta_min      2.2780
_shelx_estimated_absorpt_T_max   0.917
_shelx_estimated_absorpt_T_min   0.883
_exptl_absorpt_coefficient_mu    0.984
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0576
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            23275
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         2.082
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0606
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -14.00  21.00   1.00   25.34    --   14.53  19.00-120.00   35
  2  ω    -40.00  10.00   1.00   25.34    --  -16.64 -77.00-120.00   50
  3  ω    -42.00  10.00   1.00   25.34    --  -16.64 -77.00  90.00   52
  4  ω    -79.00   0.00   1.00   25.34    --  -16.64 -57.00 -30.00   79
  5  ω    -33.00  48.00   1.00   25.34    --  -16.64  57.00-150.00   81
  6  ω    -36.00  52.00   1.00   25.34    --  -16.64  38.00 120.00   88
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8251
_reflns_number_total             11494
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.429
_refine_diff_density_min         -0.546
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     611
_refine_ls_number_reflns         11494
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0382
_refine_ls_restrained_S_all      0.964
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0283P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0779
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(C19A)=Sof(H19D)=Sof(H19E)=Sof(H19F)=Sof(C20A)=Sof(H20D)=Sof(H20E)=
 Sof(H20F)=Sof(C21A)=Sof(H21D)=Sof(H21E)=Sof(H21F)=1-FVAR(1)
 Sof(C19)=Sof(H19A)=Sof(H19B)=Sof(H19C)=Sof(C20)=Sof(H20A)=Sof(H20B)=Sof(H20C)=
 Sof(C21)=Sof(H21A)=Sof(H21B)=Sof(H21C)=FVAR(1)
3.a Me refined with riding coordinates:
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C41(H41A,
 H41B,H41C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C),
 C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C15(H15A,H15B,
 H15C)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C7(H7), C9(H9), C11(H11), C12(H12), C27(H27),
 C28(H28), C30(H30), C32(H32), C34(H34), C36(H36), C37(H37)
3.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C19A(H19D,H19E,
 H19F), C20A(H20D,H20E,H20F), C21A(H21D,H21E,H21F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.31285(2) 0.60635(2) 0.68998(2) 0.04281(7) Uani 1 1 d . . . . .
O1 O 0.2377(2) 0.69071(14) 0.58836(11) 0.0579(6) Uani 1 1 d . . . . .
O2 O 0.3698(2) 0.47580(16) 0.76795(13) 0.0623(6) Uani 1 1 d . . . . .
O3 O 0.0709(2) 0.50774(15) 0.33813(11) 0.0564(6) Uani 1 1 d . . . . .
O4 O 0.1119(2) 0.37482(15) 0.42233(12) 0.0657(7) Uani 1 1 d . . . . .
N1 N 0.2284(2) 0.50165(16) 0.64795(12) 0.0371(6) Uani 1 1 d . . . . .
N2 N 0.1061(2) 0.46574(18) 0.40028(14) 0.0442(6) Uani 1 1 d . . . . .
C1 C 0.2057(3) 0.6381(2) 0.54319(16) 0.0442(8) Uani 1 1 d . . . . .
C2 C 0.1804(3) 0.6796(2) 0.46761(17) 0.0541(9) Uani 1 1 d . . . . .
H2 H 0.1870 0.7460 0.4483 0.065 Uiso 1 1 calc R . . . .
C3 C 0.1459(3) 0.6240(2) 0.42149(16) 0.0466(8) Uani 1 1 d . . . . .
H3 H 0.1271 0.6526 0.3717 0.056 Uiso 1 1 calc R . . . .
C4 C 0.1394(3) 0.5248(2) 0.45006(15) 0.0365(7) Uani 1 1 d . . . . .
C5 C 0.1659(3) 0.47979(19) 0.52443(15) 0.0368(7) Uani 1 1 d . . . . .
H5 H 0.1628 0.4123 0.5421 0.044 Uiso 1 1 calc R . . . .
C6 C 0.1967(3) 0.53680(19) 0.57129(15) 0.0360(7) Uani 1 1 d . . . . .
C7 C 0.1941(3) 0.42231(19) 0.69008(15) 0.0391(7) Uani 1 1 d . . . . .
H7 H 0.1434 0.3936 0.6691 0.047 Uiso 1 1 calc R . . . .
C8 C 0.2268(3) 0.3752(2) 0.76533(16) 0.0417(7) Uani 1 1 d . . . . .
C9 C 0.1711(3) 0.2952(2) 0.80477(16) 0.0478(8) Uani 1 1 d . . . . .
H9 H 0.1127 0.2787 0.7816 0.057 Uiso 1 1 calc R . . . .
C10 C 0.1990(3) 0.2412(2) 0.87528(17) 0.0539(9) Uani 1 1 d . . . . .
C11 C 0.2906(4) 0.2669(3) 0.90552(18) 0.0670(11) Uani 1 1 d . . . . .
H11 H 0.3142 0.2304 0.9524 0.080 Uiso 1 1 calc R . . . .
C12 C 0.3475(4) 0.3432(3) 0.86961(19) 0.0668(11) Uani 1 1 d . . . . .
H12 H 0.4086 0.3563 0.8922 0.080 Uiso 1 1 calc R . . . .
C13 C 0.3149(3) 0.4019(2) 0.79929(17) 0.0490(8) Uani 1 1 d . . . . .
C14 C 0.1377(4) 0.1574(3) 0.92066(19) 0.0740(12) Uani 1 1 d . . . . .
C16 C 0.2303(5) 0.0608(3) 0.9386(3) 0.1165(18) Uani 1 1 d . . . . .
H16A H 0.2890 0.0740 0.9660 0.175 Uiso 1 1 calc R . . . .
H16B H 0.1920 0.0096 0.9701 0.175 Uiso 1 1 calc R . . . .
H16C H 0.2681 0.0379 0.8908 0.175 Uiso 1 1 calc R . . . .
C17 C 0.0781(5) 0.1894(4) 0.9983(2) 0.133(2) Uani 1 1 d . . . . .
H17A H 0.1368 0.2021 1.0260 0.199 Uiso 1 1 calc R . . . .
H17B H 0.0185 0.2497 0.9889 0.199 Uiso 1 1 calc R . . . .
H17C H 0.0416 0.1365 1.0287 0.199 Uiso 1 1 calc R . . . .
C18 C 0.1951(4) 0.6945(3) 0.7711(2) 0.0695(11) Uani 1 1 d . . . . .
C19 C 0.0929(11) 0.6391(10) 0.8075(9) 0.125(5) Uani 0.571(14) 1 d . . P A 1
H19A H 0.0526 0.6285 0.7670 0.188 Uiso 0.571(14) 1 calc GR . P A 1
H19B H 0.0376 0.6793 0.8415 0.188 Uiso 0.571(14) 1 calc GR . P A 1
H19C H 0.1250 0.5752 0.8367 0.188 Uiso 0.571(14) 1 calc GR . P A 1
C20 C 0.2734(13) 0.6881(12) 0.8390(7) 0.122(5) Uani 0.571(14) 1 d . . P A 1
H20A H 0.3063 0.6187 0.8572 0.183 Uiso 0.571(14) 1 calc GR . P A 1
H20B H 0.2245 0.7181 0.8811 0.183 Uiso 0.571(14) 1 calc GR . P A 1
H20C H 0.3368 0.7238 0.8197 0.183 Uiso 0.571(14) 1 calc GR . P A 1
C21 C 0.1552(16) 0.8011(10) 0.7391(9) 0.134(8) Uani 0.571(14) 1 d . . P A 1
H21A H 0.2227 0.8328 0.7244 0.201 Uiso 0.571(14) 1 calc GR . P A 1
H21B H 0.1012 0.8345 0.7777 0.201 Uiso 0.571(14) 1 calc GR . P A 1
H21C H 0.1155 0.8057 0.6942 0.201 Uiso 0.571(14) 1 calc GR . P A 1
C22 C 0.4907(3) 0.6193(3) 0.6409(2) 0.0719(11) Uani 1 1 d . . . . .
C23 C 0.5787(4) 0.5753(4) 0.6980(3) 0.1085(16) Uani 1 1 d . . . . .
H23A H 0.5570 0.6089 0.7428 0.163 Uiso 1 1 calc R . . . .
H23B H 0.5791 0.5046 0.7137 0.163 Uiso 1 1 calc R . . . .
H23C H 0.6566 0.5841 0.6743 0.163 Uiso 1 1 calc R . . . .
C24 C 0.4945(5) 0.7328(4) 0.6187(3) 0.142(2) Uani 1 1 d . . . . .
H24A H 0.4390 0.7642 0.5819 0.213 Uiso 1 1 calc R . . . .
H24B H 0.4736 0.7644 0.6645 0.213 Uiso 1 1 calc R . . . .
H24C H 0.5733 0.7400 0.5959 0.213 Uiso 1 1 calc R . . . .
C25 C 0.5210(4) 0.5690(5) 0.5696(3) 0.171(3) Uani 1 1 d . . . . .
H25A H 0.4630 0.5988 0.5342 0.257 Uiso 1 1 calc R . . . .
H25B H 0.5984 0.5778 0.5449 0.257 Uiso 1 1 calc R . . . .
H25C H 0.5209 0.4983 0.5842 0.257 Uiso 1 1 calc R . . . .
Sn2 Sn 0.36287(2) -0.03079(2) 0.29690(2) 0.04583(8) Uani 1 1 d . . . . .
O5 O 0.2475(2) -0.08795(14) 0.39405(11) 0.0594(6) Uani 1 1 d . . . . .
O6 O 0.4349(2) 0.08255(16) 0.21976(12) 0.0631(6) Uani 1 1 d . . . . .
O7 O 0.0387(3) 0.14190(18) 0.67287(13) 0.0806(8) Uani 1 1 d . . . . .
O8 O 0.1242(2) 0.25131(16) 0.59718(12) 0.0683(7) Uani 1 1 d . . . . .
N3 N 0.2617(2) 0.10243(16) 0.34756(12) 0.0409(6) Uani 1 1 d . . . . .
N4 N 0.0937(3) 0.1697(2) 0.61156(15) 0.0510(7) Uani 1 1 d . . . . .
C26 C 0.2050(3) -0.0272(2) 0.44571(17) 0.0475(8) Uani 1 1 d . . . . .
C27 C 0.1561(3) -0.0609(2) 0.52105(18) 0.0604(10) Uani 1 1 d . . . . .
H27 H 0.1514 -0.1285 0.5356 0.073 Uiso 1 1 calc R . . . .
C28 C 0.1154(3) 0.0042(2) 0.57342(17) 0.0535(9) Uani 1 1 d . . . . .
H28 H 0.0803 -0.0184 0.6227 0.064 Uiso 1 1 calc R . . . .
C29 C 0.1267(3) 0.1039(2) 0.55282(16) 0.0413(7) Uani 1 1 d . . . . .
C30 C 0.1738(3) 0.1402(2) 0.47927(15) 0.0414(7) Uani 1 1 d . . . . .
H30 H 0.1813 0.2073 0.4663 0.050 Uiso 1 1 calc R . . . .
C31 C 0.2095(3) 0.0760(2) 0.42534(15) 0.0392(7) Uani 1 1 d . . . . .
C32 C 0.2368(3) 0.1946(2) 0.31089(15) 0.0419(7) Uani 1 1 d . . . . .
H32 H 0.1802 0.2404 0.3367 0.050 Uiso 1 1 calc R . . . .
C33 C 0.2875(3) 0.2324(2) 0.23513(15) 0.0401(7) Uani 1 1 d . . . . .
C34 C 0.2415(3) 0.3334(2) 0.20375(16) 0.0473(8) Uani 1 1 d . . . . .
H34 H 0.1781 0.3701 0.2324 0.057 Uiso 1 1 calc R . . . .
C35 C 0.2856(3) 0.3799(2) 0.13313(17) 0.0526(9) Uani 1 1 d . . . . .
C36 C 0.3819(4) 0.3218(3) 0.09347(18) 0.0650(10) Uani 1 1 d . . . . .
H36 H 0.4150 0.3511 0.0456 0.078 Uiso 1 1 calc R . . . .
C37 C 0.4302(3) 0.2242(3) 0.12132(18) 0.0646(10) Uani 1 1 d . . . . .
H37 H 0.4946 0.1891 0.0923 0.078 Uiso 1 1 calc R . . . .
C38 C 0.3838(3) 0.1760(2) 0.19331(17) 0.0494(8) Uani 1 1 d . . . . .
C39 C 0.3304(6) 0.5418(4) 0.0580(4) 0.190(3) Uani 1 1 d . . . . .
H39A H 0.3773 0.5038 0.0195 0.285 Uiso 1 1 calc R . . . .
H39B H 0.2962 0.6080 0.0333 0.285 Uiso 1 1 calc R . . . .
H39C H 0.3802 0.5474 0.0952 0.285 Uiso 1 1 calc R . . . .
C40 C 0.1578(6) 0.4869(4) 0.0367(3) 0.157(3) Uani 1 1 d . . . . .
H40A H 0.2050 0.4487 -0.0016 0.235 Uiso 1 1 calc R . . . .
H40B H 0.0918 0.4560 0.0600 0.235 Uiso 1 1 calc R . . . .
H40C H 0.1285 0.5546 0.0123 0.235 Uiso 1 1 calc R . . . .
C41 C 0.1618(7) 0.5477(3) 0.1577(3) 0.190(4) Uani 1 1 d . . . . .
H41A H 0.0993 0.5141 0.1838 0.286 Uiso 1 1 calc R . . . .
H41B H 0.2116 0.5532 0.1947 0.286 Uiso 1 1 calc R . . . .
H41C H 0.1276 0.6139 0.1329 0.286 Uiso 1 1 calc R . . . .
C42 C 0.5308(4) -0.0556(4) 0.4157(3) 0.133(2) Uani 1 1 d . . . . .
H42A H 0.4626 -0.0647 0.4526 0.199 Uiso 1 1 calc R . . . .
H42B H 0.6020 -0.0883 0.4389 0.199 Uiso 1 1 calc R . . . .
H42C H 0.5303 0.0151 0.4006 0.199 Uiso 1 1 calc R . . . .
C43 C 0.6310(4) -0.0896(4) 0.2851(2) 0.1174(19) Uani 1 1 d . . . . .
H43A H 0.6247 -0.1197 0.2413 0.176 Uiso 1 1 calc R . . . .
H43B H 0.6317 -0.0192 0.2686 0.176 Uiso 1 1 calc R . . . .
H43C H 0.7034 -0.1226 0.3068 0.176 Uiso 1 1 calc R . . . .
C44 C 0.5263(5) -0.2153(3) 0.3690(3) 0.126(2) Uani 1 1 d . . . . .
H44A H 0.5236 -0.2436 0.3236 0.189 Uiso 1 1 calc R . . . .
H44B H 0.5972 -0.2487 0.3923 0.189 Uiso 1 1 calc R . . . .
H44C H 0.4577 -0.2242 0.4056 0.189 Uiso 1 1 calc R . . . .
C52 C 0.2846(4) -0.0799(3) 0.21056(19) 0.0646(10) Uani 1 1 d . . . . .
C53 C 0.2593(5) -0.1847(3) 0.2416(2) 0.1004(16) Uani 1 1 d . . . . .
H53A H 0.3327 -0.2315 0.2500 0.151 Uiso 1 1 calc R . . . .
H53B H 0.2080 -0.1831 0.2898 0.151 Uiso 1 1 calc R . . . .
H53C H 0.2211 -0.2055 0.2045 0.151 Uiso 1 1 calc R . . . .
C54 C 0.1682(4) -0.0051(3) 0.1970(3) 0.1071(16) Uani 1 1 d . . . . .
H54A H 0.1845 0.0609 0.1774 0.161 Uiso 1 1 calc R . . . .
H54B H 0.1299 -0.0258 0.1598 0.161 Uiso 1 1 calc R . . . .
H54C H 0.1168 -0.0034 0.2451 0.161 Uiso 1 1 calc R . . . .
C55 C 0.3714(5) -0.0805(4) 0.1355(2) 0.1215(19) Uani 1 1 d . . . . .
H55A H 0.3860 -0.0138 0.1171 0.182 Uiso 1 1 calc R . . . .
H55B H 0.4450 -0.1261 0.1458 0.182 Uiso 1 1 calc R . . . .
H55C H 0.3375 -0.1022 0.0967 0.182 Uiso 1 1 calc R . . . .
C56 C 0.5267(4) -0.1010(3) 0.3455(2) 0.0663(10) Uani 1 1 d . . . . .
C60 C 0.2333(4) 0.4893(3) 0.09872(19) 0.0754(12) Uani 1 1 d . . . . .
C15 C 0.0461(5) 0.1378(4) 0.8781(3) 0.143(2) Uani 1 1 d . . . . .
H15A H -0.0118 0.1989 0.8670 0.214 Uiso 1 1 calc R . . . .
H15B H 0.0835 0.1151 0.8302 0.214 Uiso 1 1 calc R . . . .
H15C H 0.0074 0.0868 0.9095 0.214 Uiso 1 1 calc R . . . .
C19A C 0.197(2) 0.6572(17) 0.8498(8) 0.168(14) Uani 0.429(14) 1 d . . P A 2
H19D H 0.2107 0.5849 0.8575 0.252 Uiso 0.429(14) 1 calc GR . P A 2
H19E H 0.1226 0.6834 0.8779 0.252 Uiso 0.429(14) 1 calc GR . P A 2
H19F H 0.2603 0.6777 0.8684 0.252 Uiso 0.429(14) 1 calc GR . P A 2
C20A C 0.2327(19) 0.7992(15) 0.7500(14) 0.123(8) Uani 0.429(14) 1 d . . P A 2
H20D H 0.3100 0.7933 0.7656 0.185 Uiso 0.429(14) 1 calc GR . P A 2
H20E H 0.1760 0.8477 0.7765 0.185 Uiso 0.429(14) 1 calc GR . P A 2
H20F H 0.2353 0.8210 0.6948 0.185 Uiso 0.429(14) 1 calc GR . P A 2
C21A C 0.0692(11) 0.7203(16) 0.7394(12) 0.132(8) Uani 0.429(14) 1 d . . P A 2
H21D H 0.0731 0.7642 0.6903 0.198 Uiso 0.429(14) 1 calc GR . P A 2
H21E H 0.0102 0.7533 0.7759 0.198 Uiso 0.429(14) 1 calc GR . P A 2
H21F H 0.0480 0.6591 0.7328 0.198 Uiso 0.429(14) 1 calc GR . P A 2


_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 O1 2.1381(18) . ?
Sn1 O2 2.094(2) . ?
Sn1 N1 2.200(2) . ?
Sn1 C18 2.164(3) . ?
Sn1 C22 2.145(4) . ?
O1 C1 1.313(3) . ?
O2 C13 1.312(4) . ?
O3 N2 1.224(3) . ?
O4 N2 1.230(3) . ?
N1 C6 1.423(3) . ?
N1 C7 1.306(3) . ?
N2 C4 1.446(3) . ?
C1 C2 1.396(4) . ?
C1 C6 1.412(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.369(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.379(4) . ?
C4 C5 1.390(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.372(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.431(4) . ?
C8 C9 1.419(4) . ?
C8 C13 1.406(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.369(4) . ?
C10 C11 1.398(5) . ?
C10 C14 1.527(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.369(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.402(4) . ?
C14 C16 1.527(5) . ?
C14 C17 1.530(5) . ?
C14 C15 1.488(5) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.547(10) . ?
C18 C20 1.589(13) . ?
C18 C21 1.468(13) . ?
C18 C19A 1.388(15) . ?
C18 C20A 1.56(2) . ?
C18 C21A 1.589(14) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.496(5) . ?
C22 C24 1.547(6) . ?
C22 C25 1.504(5) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
Sn2 O5 2.148(2) . ?
Sn2 O6 2.105(2) . ?
Sn2 N3 2.204(2) . ?
Sn2 C52 2.163(3) . ?
Sn2 C56 2.158(3) . ?
O5 C26 1.315(3) . ?
O6 C38 1.321(3) . ?
O7 N4 1.211(3) . ?
O8 N4 1.224(3) . ?
N3 C31 1.428(3) . ?
N3 C32 1.304(3) . ?
N4 C29 1.451(4) . ?
C26 C27 1.399(4) . ?
C26 C31 1.410(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.364(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.384(4) . ?
C29 C30 1.376(4) . ?
C30 H30 0.9300 . ?
C30 C31 1.372(4) . ?
C32 H32 0.9300 . ?
C32 C33 1.427(4) . ?
C33 C34 1.413(4) . ?
C33 C38 1.402(4) . ?
C34 H34 0.9300 . ?
C34 C35 1.370(4) . ?
C35 C36 1.394(4) . ?
C35 C60 1.540(4) . ?
C36 H36 0.9300 . ?
C36 C37 1.365(4) . ?
C37 H37 0.9300 . ?
C37 C38 1.407(4) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C39 C60 1.494(6) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C40 C60 1.512(6) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C41 C60 1.469(5) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C42 C56 1.496(5) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C43 C56 1.501(5) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C44 C56 1.551(5) . ?
C52 C53 1.521(5) . ?
C52 C54 1.526(5) . ?
C52 C55 1.534(5) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C19A H19D 0.9600 . ?
C19A H19E 0.9600 . ?
C19A H19F 0.9600 . ?
C20A H20D 0.9600 . ?
C20A H20E 0.9600 . ?
C20A H20F 0.9600 . ?
C21A H21D 0.9600 . ?
C21A H21E 0.9600 . ?
C21A H21F 0.9600 . ?

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
O1 Sn1 N1 74.94(8) . . ?
O1 Sn1 C18 95.76(12) . . ?
O1 Sn1 C22 93.01(12) . . ?
O2 Sn1 O1 155.50(8) . . ?
O2 Sn1 N1 81.22(8) . . ?
O2 Sn1 C18 98.86(12) . . ?
O2 Sn1 C22 93.42(13) . . ?
C18 Sn1 N1 113.53(14) . . ?
C22 Sn1 N1 118.44(12) . . ?
C22 Sn1 C18 127.80(16) . . ?
C1 O1 Sn1 116.02(16) . . ?
C13 O2 Sn1 129.6(2) . . ?
C6 N1 Sn1 112.86(16) . . ?
C7 N1 Sn1 125.51(17) . . ?
C7 N1 C6 121.0(2) . . ?
O3 N2 O4 121.8(2) . . ?
O3 N2 C4 119.2(2) . . ?
O4 N2 C4 118.9(2) . . ?
O1 C1 C2 121.6(3) . . ?
O1 C1 C6 119.5(2) . . ?
C2 C1 C6 118.9(3) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 120.9(3) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 118.9(3) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 N2 118.6(2) . . ?
C3 C4 C5 122.1(3) . . ?
C5 C4 N2 119.3(2) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 C4 118.7(2) . . ?
C6 C5 H5 120.6 . . ?
C1 C6 N1 113.9(2) . . ?
C5 C6 N1 125.6(2) . . ?
C5 C6 C1 120.4(2) . . ?
N1 C7 H7 116.8 . . ?
N1 C7 C8 126.4(3) . . ?
C8 C7 H7 116.8 . . ?
C9 C8 C7 117.7(3) . . ?
C13 C8 C7 122.7(3) . . ?
C13 C8 C9 119.5(3) . . ?
C8 C9 H9 118.4 . . ?
C10 C9 C8 123.1(3) . . ?
C10 C9 H9 118.4 . . ?
C9 C10 C11 115.7(3) . . ?
C9 C10 C14 124.5(3) . . ?
C11 C10 C14 119.8(3) . . ?
C10 C11 H11 118.3 . . ?
C12 C11 C10 123.4(3) . . ?
C12 C11 H11 118.3 . . ?
C11 C12 H12 119.5 . . ?
C11 C12 C13 121.0(3) . . ?
C13 C12 H12 119.5 . . ?
O2 C13 C8 123.9(3) . . ?
O2 C13 C12 118.9(3) . . ?
C12 C13 C8 117.2(3) . . ?
C10 C14 C17 108.1(3) . . ?
C16 C14 C10 109.8(4) . . ?
C16 C14 C17 107.6(3) . . ?
C15 C14 C10 112.2(3) . . ?
C15 C14 C16 110.0(4) . . ?
C15 C14 C17 109.1(4) . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 Sn1 108.7(4) . . ?
C19 C18 C20 106.2(7) . . ?
C20 C18 Sn1 104.0(5) . . ?
C21 C18 Sn1 114.3(7) . . ?
C21 C18 C19 114.2(9) . . ?
C21 C18 C20 108.7(9) . . ?
C19A C18 Sn1 117.4(8) . . ?
C19A C18 C20A 111.3(14) . . ?
C19A C18 C21A 116.8(11) . . ?
C20A C18 Sn1 103.1(8) . . ?
C20A C18 C21A 101.2(9) . . ?
C21A C18 Sn1 105.0(5) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 Sn1 112.1(3) . . ?
C23 C22 C24 106.6(4) . . ?
C23 C22 C25 111.5(4) . . ?
C24 C22 Sn1 108.3(3) . . ?
C25 C22 Sn1 108.2(3) . . ?
C25 C22 C24 110.1(4) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O5 Sn2 N3 74.40(8) . . ?
O5 Sn2 C52 95.05(12) . . ?
O5 Sn2 C56 95.86(12) . . ?
O6 Sn2 O5 155.03(8) . . ?
O6 Sn2 N3 80.64(8) . . ?
O6 Sn2 C52 95.89(12) . . ?
O6 Sn2 C56 94.97(13) . . ?
C52 Sn2 N3 117.55(12) . . ?
C56 Sn2 N3 114.43(11) . . ?
C56 Sn2 C52 127.94(14) . . ?
C26 O5 Sn2 115.42(19) . . ?
C38 O6 Sn2 129.9(2) . . ?
C31 N3 Sn2 112.21(16) . . ?
C32 N3 Sn2 126.37(18) . . ?
C32 N3 C31 120.9(2) . . ?
O7 N4 O8 122.4(3) . . ?
O7 N4 C29 119.4(3) . . ?
O8 N4 C29 118.2(3) . . ?
O5 C26 C27 122.7(3) . . ?
O5 C26 C31 119.2(3) . . ?
C27 C26 C31 118.1(3) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.8(3) . . ?
C28 C27 H27 119.6 . . ?
C27 C28 H28 120.2 . . ?
C27 C28 C29 119.7(3) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 N4 118.9(3) . . ?
C30 C29 N4 119.7(3) . . ?
C30 C29 C28 121.3(3) . . ?
C29 C30 H30 120.5 . . ?
C31 C30 C29 119.1(3) . . ?
C31 C30 H30 120.5 . . ?
C26 C31 N3 113.7(2) . . ?
C30 C31 N3 125.2(2) . . ?
C30 C31 C26 120.9(3) . . ?
N3 C32 H32 116.7 . . ?
N3 C32 C33 126.6(3) . . ?
C33 C32 H32 116.7 . . ?
C34 C33 C32 117.5(3) . . ?
C38 C33 C32 123.1(3) . . ?
C38 C33 C34 119.4(3) . . ?
C33 C34 H34 118.4 . . ?
C35 C34 C33 123.2(3) . . ?
C35 C34 H34 118.4 . . ?
C34 C35 C36 115.9(3) . . ?
C34 C35 C60 122.8(3) . . ?
C36 C35 C60 121.3(3) . . ?
C35 C36 H36 118.3 . . ?
C37 C36 C35 123.3(3) . . ?
C37 C36 H36 118.3 . . ?
C36 C37 H37 119.6 . . ?
C36 C37 C38 120.8(3) . . ?
C38 C37 H37 119.6 . . ?
O6 C38 C33 123.2(3) . . ?
O6 C38 C37 119.3(3) . . ?
C33 C38 C37 117.4(3) . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C60 C39 H39A 109.5 . . ?
C60 C39 H39B 109.5 . . ?
C60 C39 H39C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C60 C40 H40A 109.5 . . ?
C60 C40 H40B 109.5 . . ?
C60 C40 H40C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C60 C41 H41A 109.5 . . ?
C60 C41 H41B 109.5 . . ?
C60 C41 H41C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C56 C42 H42A 109.5 . . ?
C56 C42 H42B 109.5 . . ?
C56 C42 H42C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C56 C43 H43A 109.5 . . ?
C56 C43 H43B 109.5 . . ?
C56 C43 H43C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C56 C44 H44A 109.5 . . ?
C56 C44 H44B 109.5 . . ?
C56 C44 H44C 109.5 . . ?
C53 C52 Sn2 109.2(2) . . ?
C53 C52 C54 109.7(4) . . ?
C53 C52 C55 110.9(3) . . ?
C54 C52 Sn2 107.3(2) . . ?
C54 C52 C55 110.9(3) . . ?
C55 C52 Sn2 108.7(3) . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C52 C55 H55A 109.5 . . ?
C52 C55 H55B 109.5 . . ?
C52 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C42 C56 Sn2 108.9(2) . . ?
C42 C56 C43 112.4(4) . . ?
C42 C56 C44 110.1(3) . . ?
C43 C56 Sn2 110.0(2) . . ?
C43 C56 C44 108.0(3) . . ?
C44 C56 Sn2 107.2(3) . . ?
C39 C60 C35 110.4(4) . . ?
C39 C60 C40 105.8(4) . . ?
C40 C60 C35 108.4(3) . . ?
C41 C60 C35 112.8(3) . . ?
C41 C60 C39 109.4(5) . . ?
C41 C60 C40 109.9(5) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C18 C19A H19D 109.5 . . ?
C18 C19A H19E 109.5 . . ?
C18 C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C18 C20A H20D 109.5 . . ?
C18 C20A H20E 109.5 . . ?
C18 C20A H20F 109.5 . . ?
H20D C20A H20E 109.5 . . ?
H20D C20A H20F 109.5 . . ?
H20E C20A H20F 109.5 . . ?
C18 C21A H21D 109.5 . . ?
C18 C21A H21E 109.5 . . ?
C18 C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 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
Sn1 O1 C1 C2 -165.7(3) . . . . ?
Sn1 O1 C1 C6 14.2(4) . . . . ?
Sn1 O2 C13 C8 25.7(5) . . . . ?
Sn1 O2 C13 C12 -156.3(2) . . . . ?
Sn1 N1 C6 C1 -10.7(3) . . . . ?
Sn1 N1 C6 C5 165.8(2) . . . . ?
Sn1 N1 C7 C8 -14.7(4) . . . . ?
O1 C1 C2 C3 -179.3(3) . . . . ?
O1 C1 C6 N1 -1.9(4) . . . . ?
O1 C1 C6 C5 -178.6(3) . . . . ?
O3 N2 C4 C3 -8.6(4) . . . . ?
O3 N2 C4 C5 172.4(3) . . . . ?
O4 N2 C4 C3 172.7(3) . . . . ?
O4 N2 C4 C5 -6.3(4) . . . . ?
N1 C7 C8 C9 174.2(3) . . . . ?
N1 C7 C8 C13 -8.9(5) . . . . ?
N2 C4 C5 C6 -179.6(3) . . . . ?
C1 C2 C3 C4 -1.7(5) . . . . ?
C2 C1 C6 N1 178.0(3) . . . . ?
C2 C1 C6 C5 1.3(5) . . . . ?
C2 C3 C4 N2 -178.4(3) . . . . ?
C2 C3 C4 C5 0.6(5) . . . . ?
C3 C4 C5 C6 1.5(5) . . . . ?
C4 C5 C6 N1 -178.7(3) . . . . ?
C4 C5 C6 C1 -2.4(4) . . . . ?
C6 N1 C7 C8 175.2(3) . . . . ?
C6 C1 C2 C3 0.8(5) . . . . ?
C7 N1 C6 C1 160.5(3) . . . . ?
C7 N1 C6 C5 -23.0(4) . . . . ?
C7 C8 C9 C10 176.8(3) . . . . ?
C7 C8 C13 O2 4.4(5) . . . . ?
C7 C8 C13 C12 -173.6(3) . . . . ?
C8 C9 C10 C11 -2.5(5) . . . . ?
C8 C9 C10 C14 177.7(3) . . . . ?
C9 C8 C13 O2 -178.7(3) . . . . ?
C9 C8 C13 C12 3.3(5) . . . . ?
C9 C10 C11 C12 2.2(5) . . . . ?
C9 C10 C14 C16 124.8(4) . . . . ?
C9 C10 C14 C17 -118.2(4) . . . . ?
C9 C10 C14 C15 2.1(6) . . . . ?
C10 C11 C12 C13 0.8(6) . . . . ?
C11 C10 C14 C16 -55.1(4) . . . . ?
C11 C10 C14 C17 61.9(5) . . . . ?
C11 C10 C14 C15 -177.7(4) . . . . ?
C11 C12 C13 O2 178.3(3) . . . . ?
C11 C12 C13 C8 -3.6(5) . . . . ?
C13 C8 C9 C10 -0.3(5) . . . . ?
C14 C10 C11 C12 -177.9(4) . . . . ?
Sn2 O5 C26 C27 -162.3(3) . . . . ?
Sn2 O5 C26 C31 16.9(4) . . . . ?
Sn2 O6 C38 C33 28.7(4) . . . . ?
Sn2 O6 C38 C37 -154.3(2) . . . . ?
Sn2 N3 C31 C26 -16.3(3) . . . . ?
Sn2 N3 C31 C30 159.0(2) . . . . ?
Sn2 N3 C32 C33 -12.7(4) . . . . ?
O5 C26 C27 C28 178.5(3) . . . . ?
O5 C26 C31 N3 0.2(4) . . . . ?
O5 C26 C31 C30 -175.3(3) . . . . ?
O7 N4 C29 C28 -12.6(5) . . . . ?
O7 N4 C29 C30 170.7(3) . . . . ?
O8 N4 C29 C28 166.7(3) . . . . ?
O8 N4 C29 C30 -10.1(4) . . . . ?
N3 C32 C33 C34 175.5(3) . . . . ?
N3 C32 C33 C38 -8.2(5) . . . . ?
N4 C29 C30 C31 177.1(3) . . . . ?
C26 C27 C28 C29 -2.5(5) . . . . ?
C27 C26 C31 N3 179.5(3) . . . . ?
C27 C26 C31 C30 3.9(5) . . . . ?
C27 C28 C29 N4 -174.0(3) . . . . ?
C27 C28 C29 C30 2.7(5) . . . . ?
C28 C29 C30 C31 0.5(5) . . . . ?
C29 C30 C31 N3 -178.8(3) . . . . ?
C29 C30 C31 C26 -3.8(5) . . . . ?
C31 N3 C32 C33 176.2(3) . . . . ?
C31 C26 C27 C28 -0.8(5) . . . . ?
C32 N3 C31 C26 155.9(3) . . . . ?
C32 N3 C31 C30 -28.8(4) . . . . ?
C32 C33 C34 C35 177.2(3) . . . . ?
C32 C33 C38 O6 1.1(5) . . . . ?
C32 C33 C38 C37 -176.1(3) . . . . ?
C33 C34 C35 C36 -1.2(5) . . . . ?
C33 C34 C35 C60 178.8(3) . . . . ?
C34 C33 C38 O6 177.4(3) . . . . ?
C34 C33 C38 C37 0.2(5) . . . . ?
C34 C35 C36 C37 0.8(5) . . . . ?
C34 C35 C60 C39 141.8(4) . . . . ?
C34 C35 C60 C40 -102.8(4) . . . . ?
C34 C35 C60 C41 19.1(6) . . . . ?
C35 C36 C37 C38 0.1(6) . . . . ?
C36 C35 C60 C39 -38.2(5) . . . . ?
C36 C35 C60 C40 77.3(5) . . . . ?
C36 C35 C60 C41 -160.9(5) . . . . ?
C36 C37 C38 O6 -177.8(3) . . . . ?
C36 C37 C38 C33 -0.6(5) . . . . ?
C38 C33 C34 C35 0.7(5) . . . . ?
C60 C35 C36 C37 -179.2(4) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 2270677'
loop_
_audit_author_name
_audit_author_address
'Hari Pada Nayek'
;Indian Institute of Technology (ISM) Dhanbad
India
;
_audit_update_record             
;
2024-05-07 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_audit_creation_date             2024-05-04
_audit_creation_method           
;
Olex2 1.2-ac3
(compiled 2016.08.26 svn.r3337 for Rigaku Oxford Diffraction, GUI svn.r5221)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C26 H36 N2 O5 Sn)'
_chemical_formula_sum            'C52 H72 N4 O10 Sn2'
_chemical_formula_weight         1150.51
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3278(6)
_cell_length_b                   15.8695(8)
_cell_length_c                   17.9400(12)
_cell_angle_alpha                112.274(5)
_cell_angle_beta                 93.904(5)
_cell_angle_gamma                96.094(4)
_cell_volume                     2686.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8022
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.9640
_cell_measurement_theta_min      2.5590
_shelx_estimated_absorpt_T_max   0.908
_shelx_estimated_absorpt_T_min   0.882
_exptl_absorpt_coefficient_mu    0.988
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.69a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0630
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25148
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         1.997
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.0303
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      2.00  51.00   1.00   52.10    --   13.76 -99.00 120.00   49
  2  ω    -82.00  -1.00   1.00   52.10    --  -15.95 -57.00 -30.00   81
  3  ω    -25.00  52.00   1.00   52.10    --  -15.95  19.00 -90.00   77
  4  ω    -42.00   9.00   1.00   52.10    --  -15.95 -77.00-120.00   51
  5  ω    -30.00   2.00   1.00   52.10    --  -15.95 -77.00 150.00   32
  6  ω    -85.00 -43.00   1.00   52.10    --  -15.95-178.00  60.00   42
  7  ω    -30.00  53.00   1.00   52.10    --  -15.95  38.00 150.00   83
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8189
_reflns_number_total             11557
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.69a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.348
_refine_diff_density_min         -1.103
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     573
_refine_ls_number_reflns         11557
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0585
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0958P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1573
_refine_ls_wR_factor_ref         0.1733
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C19(H19A,H19B), C20(H20A,H20B), C21(H21A,H21B), C23(H23A,
 H23B), C24(H24A,H24B), C25(H25A,H25B), C40(H40A,H40B), C45(H45A,H45B),
 C46(H46A,H46B), C47(H47A,H47B), C49(H49A,H49B), C50(H50A,H50B), C51(H51A,H51B)
2.b Me refined with riding coordinates:
 C26(H26A,H26B,H26C), C52(H52A,H52B,H52C)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C7(H7), C9(H9), C11(H11), C28(H28), C29(H29),
 C31(H31), C33(H33), C35(H35), C37(H37)
2.d Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,
 H44C), C48(H48A,H48B,H48C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C16(H16A,
 H16B,H16C)
2.e Idealised tetrahedral OH refined as rotating group:
 O3(H3A), O8(H8)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
C1 C 0.3303(5) 0.2801(3) 0.6632(3) 0.0434(11) Uani 1 1 d . . . . .
C2 C 0.3283(5) 0.2486(4) 0.7268(3) 0.0524(13) Uani 1 1 d . . . . .
H2 H 0.3724 0.2858 0.7776 0.063 Uiso 1 1 calc R . . . .
C3 C 0.2620(5) 0.1639(4) 0.7150(3) 0.0545(14) Uani 1 1 d . . . . .
H3 H 0.2650 0.1424 0.7566 0.065 Uiso 1 1 calc R . . . .
C4 C 0.1910(5) 0.1109(4) 0.6407(3) 0.0507(13) Uani 1 1 d . . . . .
C5 C 0.1863(5) 0.1402(3) 0.5768(3) 0.0468(12) Uani 1 1 d . . . . .
H5 H 0.1374 0.1037 0.5273 0.056 Uiso 1 1 calc R . . . .
C6 C 0.2550(4) 0.2241(3) 0.5877(3) 0.0396(10) Uani 1 1 d . . . . .
C7 C 0.2071(5) 0.2143(3) 0.4523(3) 0.0453(12) Uani 1 1 d . . . . .
H7 H 0.1608 0.1571 0.4431 0.054 Uiso 1 1 calc R . . . .
C8 C 0.2089(5) 0.2383(3) 0.3836(3) 0.0425(11) Uani 1 1 d . . . . .
C9 C 0.1530(5) 0.1675(4) 0.3089(3) 0.0492(12) Uani 1 1 d . . . . .
H9 H 0.1162 0.1112 0.3085 0.059 Uiso 1 1 calc R . . . .
C10 C 0.1516(5) 0.1798(4) 0.2373(3) 0.0475(12) Uani 1 1 d . . . . .
C11 C 0.2030(5) 0.2670(3) 0.2415(3) 0.0454(12) Uani 1 1 d . . . . .
H11 H 0.2013 0.2767 0.1934 0.054 Uiso 1 1 calc R . . . .
C12 C 0.2556(5) 0.3388(3) 0.3120(3) 0.0427(11) Uani 1 1 d . . . . .
C13 C 0.2632(5) 0.3254(3) 0.3867(3) 0.0398(10) Uani 1 1 d . . . . .
C14 C 0.2998(5) 0.4313(3) 0.3120(3) 0.0464(12) Uani 1 1 d . . . . .
H14A H 0.2618 0.4334 0.2619 0.056 Uiso 1 1 calc R . . . .
H14B H 0.2655 0.4771 0.3563 0.056 Uiso 1 1 calc R . . . .
C19 C 0.2738(5) 0.5054(4) 0.6233(3) 0.0576(15) Uani 1 1 d . . . . .
H19A H 0.2873 0.5243 0.6817 0.069 Uiso 1 1 calc R . . . .
H19B H 0.3065 0.5579 0.6112 0.069 Uiso 1 1 calc R . . . .
C20 C 0.1338(8) 0.4819(6) 0.5969(5) 0.103(3) Uiso 1 1 d . . . . .
H20A H 0.0996 0.4348 0.6154 0.124 Uiso 1 1 calc R . . . .
H20B H 0.1214 0.4551 0.5381 0.124 Uiso 1 1 calc R . . . .
C21 C 0.0518(10) 0.5609(7) 0.6259(6) 0.129(3) Uiso 1 1 d . . . . .
H21A H 0.0352 0.5794 0.5808 0.154 Uiso 1 1 calc R . . . .
H21B H -0.0324 0.5351 0.6347 0.154 Uiso 1 1 calc R . . . .
C22 C 0.0945(12) 0.6418(9) 0.6947(7) 0.166(5) Uiso 1 1 d . . . . .
H22A H 0.1306 0.6893 0.6781 0.249 Uiso 1 1 calc GR . . . .
H22B H 0.1605 0.6304 0.7287 0.249 Uiso 1 1 calc GR . . . .
H22C H 0.0216 0.6609 0.7243 0.249 Uiso 1 1 calc GR . . . .
C23 C 0.5698(6) 0.3633(5) 0.5326(5) 0.084(2) Uani 1 1 d . . . . .
H23A H 0.6001 0.4027 0.5052 0.101 Uiso 1 1 calc R . . . .
H23B H 0.6303 0.3804 0.5814 0.101 Uiso 1 1 calc R . . . .
C24 C 0.5840(10) 0.2750(9) 0.4834(8) 0.169(6) Uani 1 1 d . . . . .
H24A H 0.5173 0.2577 0.4375 0.203 Uiso 1 1 calc R . . . .
H24B H 0.5571 0.2377 0.5133 0.203 Uiso 1 1 calc R . . . .
C25 C 0.7138(14) 0.2370(11) 0.4450(9) 0.190(6) Uiso 1 1 d . . . . .
H25A H 0.7038 0.1704 0.4242 0.229 Uiso 1 1 calc R . . A .
H25B H 0.7333 0.2571 0.4017 0.229 Uiso 1 1 calc R . . A .
C26 C 0.8015(17) 0.2728(12) 0.5049(10) 0.237(8) Uiso 1 1 d . . . B 2
H26A H 0.8840 0.2543 0.4884 0.356 Uiso 1 1 calc R . . B 2
H26B H 0.8083 0.3386 0.5247 0.356 Uiso 1 1 calc R . . B 2
H26C H 0.7790 0.2526 0.5471 0.356 Uiso 1 1 calc R . . B 2
C27 C 0.5474(5) 0.2683(4) 1.1618(3) 0.0489(12) Uani 1 1 d . . . . .
C28 C 0.5376(6) 0.2345(4) 1.2237(4) 0.0588(15) Uani 1 1 d . . . . .
H28 H 0.5120 0.2718 1.2728 0.071 Uiso 1 1 calc R . . . .
C29 C 0.5641(6) 0.1500(5) 1.2142(4) 0.0611(15) Uani 1 1 d . . . . .
H29 H 0.5558 0.1292 1.2559 0.073 Uiso 1 1 calc R . . . .
C30 C 0.6039(6) 0.0943(4) 1.1415(4) 0.0565(14) Uani 1 1 d . . . . .
C31 C 0.6179(5) 0.1240(4) 1.0779(3) 0.0526(13) Uani 1 1 d . . . . .
H31 H 0.6461 0.0862 1.0299 0.063 Uiso 1 1 calc R . . . .
C32 C 0.5892(5) 0.2098(3) 1.0876(3) 0.0444(11) Uani 1 1 d . . . . .
C33 C 0.6142(5) 0.1983(4) 0.9543(3) 0.0539(13) Uani 1 1 d . . . . .
H33 H 0.6188 0.1367 0.9435 0.065 Uiso 1 1 calc R . . . .
C34 C 0.6254(5) 0.2246(4) 0.8877(3) 0.0502(13) Uani 1 1 d . . . . .
C35 C 0.6370(6) 0.1523(4) 0.8119(3) 0.0570(14) Uani 1 1 d . . . . .
H35 H 0.6313 0.0924 0.8095 0.068 Uiso 1 1 calc R . . . .
C36 C 0.6558(6) 0.1671(4) 0.7437(3) 0.0548(14) Uani 1 1 d . . . . .
C37 C 0.6673(5) 0.2598(4) 0.7514(3) 0.0504(13) Uani 1 1 d . . . . .
H37 H 0.6829 0.2720 0.7057 0.061 Uiso 1 1 calc R . . . .
C38 C 0.6570(5) 0.3330(4) 0.8218(3) 0.0463(12) Uani 1 1 d . . . . .
C39 C 0.6356(5) 0.3162(4) 0.8929(3) 0.0479(12) Uani 1 1 d . . . . .
C40 C 0.6681(5) 0.4279(4) 0.8237(3) 0.0533(13) Uani 1 1 d . . . . .
H40A H 0.7267 0.4688 0.8712 0.064 Uiso 1 1 calc R . . . .
H40B H 0.7065 0.4289 0.7761 0.064 Uiso 1 1 calc R . . . .
C41 C 0.6681(7) 0.0886(4) 0.6599(4) 0.0707(18) Uani 1 1 d . . . . .
C42 C 0.6181(11) -0.0048(5) 0.6607(4) 0.124(4) Uani 1 1 d . . . . .
H42A H 0.6796 -0.0200 0.6946 0.185 Uiso 1 1 calc GR . . . .
H42B H 0.6083 -0.0508 0.6065 0.185 Uiso 1 1 calc GR . . . .
H42C H 0.5348 -0.0026 0.6816 0.185 Uiso 1 1 calc GR . . . .
C43 C 0.8108(9) 0.0954(8) 0.6475(6) 0.151(5) Uani 1 1 d . . . . .
H43A H 0.8424 0.1567 0.6528 0.226 Uiso 1 1 calc GR . . . .
H43B H 0.8211 0.0526 0.5943 0.226 Uiso 1 1 calc GR . . . .
H43C H 0.8599 0.0811 0.6875 0.226 Uiso 1 1 calc GR . . . .
C44 C 0.5874(10) 0.0998(6) 0.5937(4) 0.111(3) Uani 1 1 d . . . . .
H44A H 0.4998 0.0690 0.5878 0.166 Uiso 1 1 calc GR . . . .
H44B H 0.6249 0.0735 0.5439 0.166 Uiso 1 1 calc GR . . . .
H44C H 0.5851 0.1640 0.6064 0.166 Uiso 1 1 calc GR . . . .
C45 C 0.7229(6) 0.4863(5) 1.1332(4) 0.0727(18) Uani 1 1 d . . . . .
H45A H 0.7197 0.5414 1.1221 0.087 Uiso 1 1 calc R . . . .
H45B H 0.7193 0.5037 1.1909 0.087 Uiso 1 1 calc R . . . .
C46 C 0.8431(8) 0.4566(8) 1.1151(6) 0.161(5) Uani 1 1 d . . . . .
H46A H 0.8388 0.4272 1.0566 0.193 Uiso 1 1 calc R . . . .
H46B H 0.8529 0.4094 1.1363 0.193 Uiso 1 1 calc R . . . .
C47 C 0.9678(13) 0.5266(9) 1.1455(8) 0.171(5) Uiso 1 1 d . . . . .
H47A H 1.0384 0.4938 1.1529 0.206 Uiso 1 1 calc R . . . .
H47B H 0.9867 0.5461 1.1018 0.206 Uiso 1 1 calc R . . . .
C48 C 0.9770(15) 0.6072(11) 1.2167(9) 0.213(6) Uiso 1 1 d . . . . .
H48A H 0.9003 0.6364 1.2159 0.319 Uiso 1 1 calc GR . . . .
H48B H 1.0536 0.6487 1.2193 0.319 Uiso 1 1 calc GR . . . .
H48C H 0.9833 0.5915 1.2633 0.319 Uiso 1 1 calc GR . . . .
C49 C 0.3611(6) 0.3684(4) 1.0129(4) 0.0707(17) Uani 1 1 d . . . . .
H49A H 0.3312 0.4275 1.0245 0.085 Uiso 1 1 calc R . . . .
H49B H 0.3643 0.3403 0.9549 0.085 Uiso 1 1 calc R . . . .
N1 N 0.2617(4) 0.2619(3) 0.5270(2) 0.0397(9) Uani 1 1 d . . . . .
N2 N 0.1208(5) 0.0209(4) 0.6281(4) 0.0667(14) Uani 1 1 d . . . . .
N3 N 0.5984(4) 0.2489(3) 1.0286(2) 0.0460(10) Uani 1 1 d . . . . .
N4 N 0.6347(5) 0.0035(4) 1.1312(4) 0.0665(13) Uani 1 1 d . . . . .
O1 O 0.3980(3) 0.3592(2) 0.6727(2) 0.0509(9) Uani 1 1 d . . . . .
O2 O 0.3133(4) 0.3940(2) 0.4533(2) 0.0575(10) Uani 1 1 d . . . . .
O3 O 0.4384(4) 0.4559(3) 0.3197(2) 0.0554(9) Uani 1 1 d . . . . .
H3A H 0.4658 0.4277 0.2766 0.083 Uiso 1 1 calc GR . . . .
O4 O 0.0716(5) -0.0296(3) 0.5605(3) 0.0904(15) Uani 1 1 d . . . . .
O5 O 0.1102(6) 0.0019(4) 0.6862(3) 0.125(2) Uani 1 1 d . . . . .
O6 O 0.5189(4) 0.3490(3) 1.1696(2) 0.0556(9) Uani 1 1 d . . . . .
O7 O 0.6309(4) 0.3865(2) 0.9607(2) 0.0659(11) Uani 1 1 d . . . . .
O8 O 0.5442(4) 0.4614(2) 0.8257(2) 0.0551(9) Uani 1 1 d . . . . .
H8 H 0.4932 0.4259 0.7867 0.083 Uiso 1 1 calc GR . . . .
O9 O 0.6594(5) -0.0468(3) 1.0649(3) 0.0930(15) Uani 1 1 d . . . . .
O10 O 0.6307(5) -0.0208(4) 1.1875(3) 0.0970(16) Uani 1 1 d . . . . .
Sn1 Sn 0.38647(3) 0.39854(2) 0.56993(2) 0.04029(12) Uani 1 1 d . . . . .
Sn2 Sn 0.55270(3) 0.39230(2) 1.07078(2) 0.04544(13) Uani 1 1 d . . . . .
C50 C 0.2706(12) 0.3152(9) 1.0325(8) 0.157(4) Uiso 1 1 d . . . . .
H50A H 0.2690 0.3426 1.0908 0.189 Uiso 1 1 calc R . . . .
H50B H 0.3000 0.2557 1.0200 0.189 Uiso 1 1 calc R . . . .
C51 C 0.1006(14) 0.2951(12) 0.9837(11) 0.199(7) Uani 1 1 d . . . . .
H51A H 0.0384 0.2646 1.0068 0.238 Uiso 1 1 calc R . . . .
H51B H 0.0707 0.3502 0.9819 0.238 Uiso 1 1 calc R . . . .
C52 C 0.1290(19) 0.2453(14) 0.9207(11) 0.249(10) Uiso 1 1 d . . . . .
H52A H 0.0526 0.2233 0.8813 0.373 Uiso 1 1 calc R . . . .
H52B H 0.1946 0.2782 0.9025 0.373 Uiso 1 1 calc R . . . .
H52C H 0.1629 0.1941 0.9271 0.373 Uiso 1 1 calc R . . . .
C15 C 0.0970(6) 0.1023(4) 0.1546(4) 0.0611(15) Uiso 1 1 d . . . . .
C17 C 0.1915(11) 0.0877(8) 0.0978(5) 0.187(7) Uani 1 1 d . . . . .
H17A H 0.2036 0.1392 0.0820 0.280 Uiso 1 1 calc GR . . . .
H17B H 0.1608 0.0326 0.0508 0.280 Uiso 1 1 calc GR . . . .
H17C H 0.2735 0.0815 0.1225 0.280 Uiso 1 1 calc GR . . . .
C18 C 0.0459(19) 0.0157(7) 0.1607(5) 0.243(10) Uani 1 1 d . . . . .
H18A H 0.1128 -0.0033 0.1882 0.365 Uiso 1 1 calc GR . . . .
H18B H 0.0200 -0.0308 0.1073 0.365 Uiso 1 1 calc GR . . . .
H18C H -0.0286 0.0244 0.1906 0.365 Uiso 1 1 calc GR . . . .
C16 C -0.0168(12) 0.1343(9) 0.1214(7) 0.220(8) Uani 1 1 d . . . . .
H16A H -0.0506 0.1799 0.1651 0.331 Uiso 1 1 calc GR . . . .
H16B H -0.0844 0.0830 0.0939 0.331 Uiso 1 1 calc GR . . . .
H16C H 0.0117 0.1604 0.0840 0.331 Uiso 1 1 calc GR . . . .


_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
C1 C2 1.409(7) . ?
C1 C6 1.423(6) . ?
C1 O1 1.314(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.375(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.381(8) . ?
C4 C5 1.391(7) . ?
C4 N2 1.460(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.377(7) . ?
C6 N1 1.431(6) . ?
C7 H7 0.9300 . ?
C7 C8 1.421(7) . ?
C7 N1 1.313(6) . ?
C8 C9 1.417(6) . ?
C8 C13 1.416(7) . ?
C9 H9 0.9300 . ?
C9 C10 1.370(7) . ?
C10 C11 1.401(7) . ?
C10 C15 1.544(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.370(6) . ?
C12 C13 1.433(7) . ?
C12 C14 1.490(7) . ?
C13 O2 1.300(5) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 O3 1.426(6) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C20 1.453(9) . ?
C19 Sn1 2.118(5) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.534(12) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.404(14) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.374(12) . ?
C23 Sn1 2.112(6) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.618(15) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.262(18) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.410(7) . ?
C27 C32 1.431(7) . ?
C27 O6 1.302(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.346(8) . ?
C29 H29 0.9300 . ?
C29 C30 1.389(8) . ?
C30 C31 1.400(7) . ?
C30 N4 1.454(8) . ?
C31 H31 0.9300 . ?
C31 C32 1.373(7) . ?
C32 N3 1.419(6) . ?
C33 H33 0.9300 . ?
C33 C34 1.414(7) . ?
C33 N3 1.301(6) . ?
C34 C35 1.431(7) . ?
C34 C39 1.413(7) . ?
C35 H35 0.9300 . ?
C35 C36 1.353(8) . ?
C36 C37 1.417(8) . ?
C36 C41 1.570(7) . ?
C37 H37 0.9300 . ?
C37 C38 1.374(7) . ?
C38 C39 1.425(7) . ?
C38 C40 1.485(7) . ?
C39 O7 1.311(6) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 O8 1.434(6) . ?
C41 C42 1.524(10) . ?
C41 C43 1.504(11) . ?
C41 C44 1.481(10) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 C46 1.390(10) . ?
C45 Sn2 2.116(6) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C46 C47 1.527(15) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C47 C48 1.413(16) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C49 Sn2 2.097(6) . ?
C49 C50 1.346(13) . ?
N1 Sn1 2.227(4) . ?
N2 O4 1.210(6) . ?
N2 O5 1.198(7) . ?
N3 Sn2 2.224(4) . ?
N4 O9 1.217(7) . ?
N4 O10 1.213(6) . ?
O1 Sn1 2.160(3) . ?
O2 Sn1 2.148(3) . ?
O3 H3A 0.8200 . ?
O6 Sn2 2.167(4) . ?
O7 Sn2 2.158(4) . ?
O8 H8 0.8200 . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C50 C51 1.847(17) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C51 C52 1.186(19) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C15 C17 1.432(10) . ?
C15 C18 1.466(11) . ?
C15 C16 1.502(12) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?

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
C2 C1 C6 118.0(5) . . ?
O1 C1 C2 121.6(5) . . ?
O1 C1 C6 120.3(4) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 121.0(5) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 120.3 . . ?
C2 C3 C4 119.3(5) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 C5 121.8(5) . . ?
C3 C4 N2 119.3(5) . . ?
C5 C4 N2 118.9(5) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 C4 119.1(5) . . ?
C6 C5 H5 120.4 . . ?
C1 C6 N1 114.2(4) . . ?
C5 C6 C1 120.6(4) . . ?
C5 C6 N1 125.2(4) . . ?
C8 C7 H7 115.5 . . ?
N1 C7 H7 115.5 . . ?
N1 C7 C8 128.9(5) . . ?
C9 C8 C7 115.4(5) . . ?
C13 C8 C7 124.1(4) . . ?
C13 C8 C9 120.5(4) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 C8 121.8(5) . . ?
C10 C9 H9 119.1 . . ?
C9 C10 C11 117.0(4) . . ?
C9 C10 C15 122.7(5) . . ?
C11 C10 C15 120.3(5) . . ?
C10 C11 H11 118.0 . . ?
C12 C11 C10 124.0(5) . . ?
C12 C11 H11 118.0 . . ?
C11 C12 C13 119.5(5) . . ?
C11 C12 C14 120.6(5) . . ?
C13 C12 C14 119.9(4) . . ?
C8 C13 C12 117.2(4) . . ?
O2 C13 C8 123.8(4) . . ?
O2 C13 C12 119.0(4) . . ?
C12 C14 H14A 108.5 . . ?
C12 C14 H14B 108.5 . . ?
H14A C14 H14B 107.5 . . ?
O3 C14 C12 115.2(4) . . ?
O3 C14 H14A 108.5 . . ?
O3 C14 H14B 108.5 . . ?
H19A C19 H19B 107.5 . . ?
C20 C19 H19A 108.5 . . ?
C20 C19 H19B 108.5 . . ?
C20 C19 Sn1 115.1(5) . . ?
Sn1 C19 H19A 108.5 . . ?
Sn1 C19 H19B 108.5 . . ?
C19 C20 H20A 108.2 . . ?
C19 C20 H20B 108.2 . . ?
C19 C20 C21 116.4(7) . . ?
H20A C20 H20B 107.3 . . ?
C21 C20 H20A 108.2 . . ?
C21 C20 H20B 108.2 . . ?
C20 C21 H21A 106.8 . . ?
C20 C21 H21B 106.8 . . ?
H21A C21 H21B 106.6 . . ?
C22 C21 C20 122.3(10) . . ?
C22 C21 H21A 106.8 . . ?
C22 C21 H21B 106.8 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
H23A C23 H23B 106.7 . . ?
C24 C23 H23A 106.9 . . ?
C24 C23 H23B 106.9 . . ?
C24 C23 Sn1 121.6(6) . . ?
Sn1 C23 H23A 106.9 . . ?
Sn1 C23 H23B 106.9 . . ?
C23 C24 H24A 105.2 . . ?
C23 C24 H24B 105.2 . . ?
C23 C24 C25 128.3(11) . . ?
H24A C24 H24B 105.9 . . ?
C25 C24 H24A 105.2 . . ?
C25 C24 H24B 105.2 . . ?
C24 C25 H25A 111.2 . . ?
C24 C25 H25B 111.2 . . ?
H25A C25 H25B 109.2 . . ?
C26 C25 C24 102.6(14) . . ?
C26 C25 H25A 111.2 . . ?
C26 C25 H25B 111.2 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 117.5(5) . . ?
O6 C27 C28 122.7(5) . . ?
O6 C27 C32 119.8(5) . . ?
C27 C28 H28 118.9 . . ?
C29 C28 C27 122.2(6) . . ?
C29 C28 H28 118.9 . . ?
C28 C29 H29 120.4 . . ?
C28 C29 C30 119.2(5) . . ?
C30 C29 H29 120.4 . . ?
C29 C30 C31 121.7(6) . . ?
C29 C30 N4 119.6(5) . . ?
C31 C30 N4 118.7(6) . . ?
C30 C31 H31 120.6 . . ?
C32 C31 C30 118.9(5) . . ?
C32 C31 H31 120.6 . . ?
C31 C32 C27 120.5(5) . . ?
C31 C32 N3 125.2(5) . . ?
N3 C32 C27 114.3(4) . . ?
C34 C33 H33 115.7 . . ?
N3 C33 H33 115.7 . . ?
N3 C33 C34 128.6(5) . . ?
C33 C34 C35 115.9(5) . . ?
C39 C34 C33 124.6(5) . . ?
C39 C34 C35 119.3(5) . . ?
C34 C35 H35 118.5 . . ?
C36 C35 C34 123.0(5) . . ?
C36 C35 H35 118.5 . . ?
C35 C36 C37 116.2(5) . . ?
C35 C36 C41 123.8(5) . . ?
C37 C36 C41 120.0(5) . . ?
C36 C37 H37 117.9 . . ?
C38 C37 C36 124.3(5) . . ?
C38 C37 H37 117.9 . . ?
C37 C38 C39 118.9(5) . . ?
C37 C38 C40 120.5(5) . . ?
C39 C38 C40 120.6(5) . . ?
C34 C39 C38 118.4(5) . . ?
O7 C39 C34 123.0(5) . . ?
O7 C39 C38 118.6(5) . . ?
C38 C40 H40A 109.0 . . ?
C38 C40 H40B 109.0 . . ?
H40A C40 H40B 107.8 . . ?
O8 C40 C38 112.9(4) . . ?
O8 C40 H40A 109.0 . . ?
O8 C40 H40B 109.0 . . ?
C42 C41 C36 110.0(5) . . ?
C43 C41 C36 107.0(6) . . ?
C43 C41 C42 110.9(8) . . ?
C44 C41 C36 110.5(5) . . ?
C44 C41 C42 107.6(7) . . ?
C44 C41 C43 110.9(7) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
H45A C45 H45B 107.3 . . ?
C46 C45 H45A 108.0 . . ?
C46 C45 H45B 108.0 . . ?
C46 C45 Sn2 117.0(6) . . ?
Sn2 C45 H45A 108.0 . . ?
Sn2 C45 H45B 108.0 . . ?
C45 C46 H46A 107.5 . . ?
C45 C46 H46B 107.5 . . ?
C45 C46 C47 119.1(10) . . ?
H46A C46 H46B 107.0 . . ?
C47 C46 H46A 107.5 . . ?
C47 C46 H46B 107.5 . . ?
C46 C47 H47A 106.9 . . ?
C46 C47 H47B 106.9 . . ?
H47A C47 H47B 106.7 . . ?
C48 C47 C46 121.8(12) . . ?
C48 C47 H47A 106.9 . . ?
C48 C47 H47B 106.9 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
H49A C49 H49B 107.2 . . ?
Sn2 C49 H49A 108.0 . . ?
Sn2 C49 H49B 108.0 . . ?
C50 C49 H49A 108.0 . . ?
C50 C49 H49B 108.0 . . ?
C50 C49 Sn2 117.2(7) . . ?
C6 N1 Sn1 113.4(3) . . ?
C7 N1 C6 121.0(4) . . ?
C7 N1 Sn1 125.4(3) . . ?
O4 N2 C4 119.0(5) . . ?
O5 N2 C4 118.0(6) . . ?
O5 N2 O4 122.9(5) . . ?
C32 N3 Sn2 113.7(3) . . ?
C33 N3 C32 120.5(4) . . ?
C33 N3 Sn2 125.1(4) . . ?
O9 N4 C30 118.4(5) . . ?
O10 N4 C30 119.4(6) . . ?
O10 N4 O9 122.2(6) . . ?
C1 O1 Sn1 116.8(3) . . ?
C13 O2 Sn1 131.4(3) . . ?
C14 O3 H3A 109.5 . . ?
C27 O6 Sn2 117.2(3) . . ?
C39 O7 Sn2 130.5(3) . . ?
C40 O8 H8 109.5 . . ?
C19 Sn1 N1 110.44(19) . . ?
C19 Sn1 O1 94.4(2) . . ?
C19 Sn1 O2 88.27(19) . . ?
C23 Sn1 C19 146.8(2) . . ?
C23 Sn1 N1 102.6(2) . . ?
C23 Sn1 O1 96.6(3) . . ?
C23 Sn1 O2 93.1(3) . . ?
O1 Sn1 N1 75.25(13) . . ?
O2 Sn1 N1 82.87(14) . . ?
O2 Sn1 O1 157.50(14) . . ?
C45 Sn2 N3 110.1(2) . . ?
C45 Sn2 O6 94.6(2) . . ?
C45 Sn2 O7 86.3(2) . . ?
C49 Sn2 C45 148.8(3) . . ?
C49 Sn2 N3 100.1(2) . . ?
C49 Sn2 O6 100.7(2) . . ?
C49 Sn2 O7 90.4(2) . . ?
O6 Sn2 N3 74.79(14) . . ?
O7 Sn2 N3 82.10(14) . . ?
O7 Sn2 O6 155.74(14) . . ?
C49 C50 H50A 107.8 . . ?
C49 C50 H50B 107.8 . . ?
C49 C50 C51 117.9(10) . . ?
H50A C50 H50B 107.2 . . ?
C51 C50 H50A 107.8 . . ?
C51 C50 H50B 107.8 . . ?
C50 C51 H51A 113.3 . . ?
C50 C51 H51B 113.3 . . ?
H51A C51 H51B 110.6 . . ?
C52 C51 C50 91.9(15) . . ?
C52 C51 H51A 113.3 . . ?
C52 C51 H51B 113.3 . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C17 C15 C10 111.6(5) . . ?
C17 C15 C18 110.8(9) . . ?
C17 C15 C16 107.2(9) . . ?
C18 C15 C10 113.5(6) . . ?
C18 C15 C16 106.6(11) . . ?
C16 C15 C10 106.6(6) . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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 C2 C3 C4 -3.3(8) . . . . ?
C1 C6 N1 C7 173.8(4) . . . . ?
C1 C6 N1 Sn1 -0.8(5) . . . . ?
C2 C1 C6 C5 -2.3(7) . . . . ?
C2 C1 C6 N1 179.3(4) . . . . ?
C2 C1 O1 Sn1 -178.5(4) . . . . ?
C2 C3 C4 C5 1.1(9) . . . . ?
C2 C3 C4 N2 180.0(5) . . . . ?
C3 C4 C5 C6 0.5(8) . . . . ?
C3 C4 N2 O4 -171.5(6) . . . . ?
C3 C4 N2 O5 11.3(9) . . . . ?
C4 C5 C6 C1 0.2(7) . . . . ?
C4 C5 C6 N1 178.4(5) . . . . ?
C5 C4 N2 O4 7.5(9) . . . . ?
C5 C4 N2 O5 -169.7(6) . . . . ?
C5 C6 N1 C7 -4.5(7) . . . . ?
C5 C6 N1 Sn1 -179.1(4) . . . . ?
C6 C1 C2 C3 3.9(8) . . . . ?
C6 C1 O1 Sn1 0.6(6) . . . . ?
C7 C8 C9 C10 -177.9(5) . . . . ?
C7 C8 C13 C12 -179.2(5) . . . . ?
C7 C8 C13 O2 -2.5(8) . . . . ?
C8 C7 N1 C6 -176.6(5) . . . . ?
C8 C7 N1 Sn1 -2.7(8) . . . . ?
C8 C9 C10 C11 -2.7(8) . . . . ?
C8 C9 C10 C15 177.0(5) . . . . ?
C8 C13 O2 Sn1 20.4(7) . . . . ?
C9 C8 C13 C12 1.6(7) . . . . ?
C9 C8 C13 O2 178.3(5) . . . . ?
C9 C10 C11 C12 1.1(8) . . . . ?
C9 C10 C15 C17 -125.3(9) . . . . ?
C9 C10 C15 C18 0.8(12) . . . . ?
C9 C10 C15 C16 117.9(9) . . . . ?
C10 C11 C12 C13 1.8(8) . . . . ?
C10 C11 C12 C14 -175.7(5) . . . . ?
C11 C10 C15 C17 54.4(9) . . . . ?
C11 C10 C15 C18 -179.5(10) . . . . ?
C11 C10 C15 C16 -62.4(9) . . . . ?
C11 C12 C13 C8 -3.1(7) . . . . ?
C11 C12 C13 O2 -179.9(4) . . . . ?
C11 C12 C14 O3 -105.4(5) . . . . ?
C12 C13 O2 Sn1 -162.9(3) . . . . ?
C13 C8 C9 C10 1.4(8) . . . . ?
C13 C12 C14 O3 77.1(6) . . . . ?
C14 C12 C13 C8 174.4(4) . . . . ?
C14 C12 C13 O2 -2.4(7) . . . . ?
C19 C20 C21 C22 -22.1(15) . . . . ?
C23 C24 C25 C26 46(2) . . . . ?
C27 C28 C29 C30 0.8(9) . . . . ?
C27 C32 N3 C33 -168.7(5) . . . . ?
C27 C32 N3 Sn2 2.4(5) . . . . ?
C28 C27 C32 C31 0.3(8) . . . . ?
C28 C27 C32 N3 -179.2(5) . . . . ?
C28 C27 O6 Sn2 175.9(4) . . . . ?
C28 C29 C30 C31 0.3(9) . . . . ?
C28 C29 C30 N4 179.0(6) . . . . ?
C29 C30 C31 C32 -1.1(8) . . . . ?
C29 C30 N4 O9 174.3(6) . . . . ?
C29 C30 N4 O10 -3.2(9) . . . . ?
C30 C31 C32 C27 0.8(8) . . . . ?
C30 C31 C32 N3 -179.8(5) . . . . ?
C31 C30 N4 O9 -6.9(9) . . . . ?
C31 C30 N4 O10 175.6(6) . . . . ?
C31 C32 N3 C33 11.9(8) . . . . ?
C31 C32 N3 Sn2 -177.1(4) . . . . ?
C32 C27 C28 C29 -1.1(8) . . . . ?
C32 C27 O6 Sn2 -4.7(6) . . . . ?
C33 C34 C35 C36 -176.2(5) . . . . ?
C33 C34 C39 C38 175.0(5) . . . . ?
C33 C34 C39 O7 -2.7(9) . . . . ?
C34 C33 N3 C32 180.0(5) . . . . ?
C34 C33 N3 Sn2 10.1(9) . . . . ?
C34 C35 C36 C37 1.7(9) . . . . ?
C34 C35 C36 C41 -179.7(6) . . . . ?
C34 C39 O7 Sn2 -20.5(8) . . . . ?
C35 C34 C39 C38 0.2(8) . . . . ?
C35 C34 C39 O7 -177.5(5) . . . . ?
C35 C36 C37 C38 -1.9(8) . . . . ?
C35 C36 C41 C42 16.0(9) . . . . ?
C35 C36 C41 C43 -104.7(8) . . . . ?
C35 C36 C41 C44 134.6(7) . . . . ?
C36 C37 C38 C39 1.2(8) . . . . ?
C36 C37 C38 C40 -178.9(5) . . . . ?
C37 C36 C41 C42 -165.5(7) . . . . ?
C37 C36 C41 C43 73.9(8) . . . . ?
C37 C36 C41 C44 -46.9(9) . . . . ?
C37 C38 C39 C34 -0.3(7) . . . . ?
C37 C38 C39 O7 177.4(5) . . . . ?
C37 C38 C40 O8 105.3(5) . . . . ?
C38 C39 O7 Sn2 161.9(4) . . . . ?
C39 C34 C35 C36 -0.9(9) . . . . ?
C39 C38 C40 O8 -74.8(6) . . . . ?
C40 C38 C39 C34 179.8(5) . . . . ?
C40 C38 C39 O7 -2.5(7) . . . . ?
C41 C36 C37 C38 179.5(5) . . . . ?
C45 C46 C47 C48 28(2) . . . . ?
C49 C50 C51 C52 72.8(18) . . . . ?
N1 C7 C8 C9 173.1(5) . . . . ?
N1 C7 C8 C13 -6.2(9) . . . . ?
N2 C4 C5 C6 -178.4(5) . . . . ?
N3 C33 C34 C35 -177.6(6) . . . . ?
N3 C33 C34 C39 7.4(10) . . . . ?
N4 C30 C31 C32 -179.8(5) . . . . ?
O1 C1 C2 C3 -176.9(5) . . . . ?
O1 C1 C6 C5 178.5(4) . . . . ?
O1 C1 C6 N1 0.1(6) . . . . ?
O6 C27 C28 C29 178.3(6) . . . . ?
O6 C27 C32 C31 -179.1(5) . . . . ?
O6 C27 C32 N3 1.4(7) . . . . ?
Sn1 C19 C20 C21 -172.5(6) . . . . ?
Sn1 C23 C24 C25 176.2(10) . . . . ?
Sn2 C45 C46 C47 168.4(9) . . . . ?
Sn2 C49 C50 C51 178.9(8) . . . . ?
C15 C10 C11 C12 -178.6(5) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
