# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry B.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2057690'
loop_
_audit_author_name
_audit_author_address
'Blanca Munoz-Flores'
;Universidad Autonoma de Nuevo Leon
Mexico
;
_audit_update_record             
;
2021-01-21 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;

_audit_creation_date             2021-01-20T21:44:19-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_sum            'C21 H26 N2 O5 Sn'
_chemical_formula_weight         505.13

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.67160(10)
_cell_length_b                   16.2257(2)
_cell_length_c                   14.4268(2)
_cell_angle_alpha                90
_cell_angle_beta                 109.6280(10)
_cell_angle_gamma                90
_cell_volume                     2132.42(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    24097
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      27.48
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1024

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    1.232
_exptl_absorpt_correction_type   multi-scan

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'Enraf Nonius FR590'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_orient_matrix_ub_11      -0.029661
_diffrn_orient_matrix_ub_12      0.056281
_diffrn_orient_matrix_ub_13      -0.027825
_diffrn_orient_matrix_ub_21      -0.099269
_diffrn_orient_matrix_ub_22      -0.021538
_diffrn_orient_matrix_ub_23      -0.03935
_diffrn_orient_matrix_ub_31      -0.036281
_diffrn_orient_matrix_ub_32      0.012919
_diffrn_orient_matrix_ub_33      0.055616
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_number            43369
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.924
_diffrn_reflns_theta_max         27.466
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_reflns_Friedel_coverage         0
_reflns_number_total             4874
_reflns_number_gt                4006
_reflns_threshold_expression     'I > 2σ(I)'
_diffrn_reflns_reduction_process 
;
        Scaled and merged with Sortav
        R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
        R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction        
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_shelx_SHELXL_version_number     2018/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0385P)²+1.7040P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         4874
_refine_ls_number_parameters     296
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0321
_refine_ls_wR_factor_ref         0.0843
_refine_ls_wR_factor_gt          0.0765
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.087
_refine_diff_density_min         -0.627
_refine_diff_density_rms         0.064

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_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
C11 C 0.8769(3) -0.07201(18) 0.4216(2) 0.0518(7) Uani 1 1 d . . . . .
C12 C 0.8510(3) -0.00285(18) 0.3626(2) 0.0501(6) Uani 1 1 d . . . . .
H12 H 0.891499 0.001661 0.312752 0.06 Uiso 1 1 calc R U . . .
C13 C 0.7641(3) 0.05989(17) 0.3784(2) 0.0443(6) Uani 1 1 d . . . . .
C8 C 0.7067(3) 0.05075(17) 0.4561(2) 0.0450(6) Uani 1 1 d . . . . .
C9 C 0.7324(3) -0.02032(19) 0.5124(2) 0.0559(7) Uani 1 1 d . . . . .
H9 H 0.691464 -0.02614 0.561846 0.067 Uiso 1 1 calc R U . . .
C10 C 0.8181(3) -0.08258(19) 0.4956(3) 0.0591(8) Uani 1 1 d . . . . .
H10 H 0.835788 -0.130453 0.533225 0.071 Uiso 1 1 calc R U . . .
C7 C 0.6107(3) 0.1370(2) 0.5536(2) 0.0514(7) Uani 1 1 d . . . . .
C6 C 0.5234(3) 0.19988(18) 0.5729(2) 0.0513(7) Uani 1 1 d . . . . .
C1 C 0.4157(3) 0.2451(2) 0.4984(2) 0.0519(7) Uani 1 1 d . . . . .
C2 C 0.3271(4) 0.3010(2) 0.5265(3) 0.0597(8) Uani 1 1 d . . . . .
H2 H 0.255329 0.330147 0.478311 0.072 Uiso 1 1 calc R U . . .
C3 C 0.3439(4) 0.3138(2) 0.6234(3) 0.0595(8) Uani 1 1 d . . . . .
C4 C 0.4526(4) 0.2722(2) 0.6981(3) 0.0640(8) Uani 1 1 d . . . . .
H4 H 0.465798 0.282716 0.763909 0.077 Uiso 1 1 calc R U . . .
C5 C 0.5391(4) 0.2160(2) 0.6731(2) 0.0614(8) Uani 1 1 d . . . . .
H5 H 0.609994 0.1875 0.72258 0.074 Uiso 1 1 calc R U . . .
C17 C 0.0961(5) -0.0071(3) 0.1518(4) 0.1004(15) Uani 1 1 d . . . . .
H17A H 0.157989 -0.05433 0.174573 0.151 Uiso 1 1 calc R U . . .
H17B H 0.01959 -0.020413 0.091294 0.151 Uiso 1 1 calc R U . . .
H17C H 0.053274 0.008544 0.200343 0.151 Uiso 1 1 calc R U . . .
C16 C 0.1866(4) 0.0637(2) 0.1346(3) 0.0598(8) Uani 1 1 d . . . . .
C15 C 0.3058(4) 0.0918(2) 0.2287(2) 0.0530(7) Uani 1 1 d . . . . .
C14 C 0.3978(4) 0.1624(2) 0.2118(2) 0.0505(7) Uani 1 1 d . . . . .
C18 C 0.6790(4) 0.3115(2) 0.3980(3) 0.0693(9) Uani 1 1 d . . . . .
H18A H 0.610676 0.357326 0.383812 0.083 Uiso 1 1 calc R U . . .
H18B H 0.720319 0.306648 0.469021 0.083 Uiso 1 1 calc R U . . .
C19 C 0.7991(5) 0.3330(2) 0.3611(3) 0.0730(10) Uani 1 1 d . . . . .
H19A H 0.759628 0.33935 0.290183 0.088 Uiso 1 1 calc R U . . .
H19B H 0.869719 0.288316 0.375677 0.088 Uiso 1 1 calc R U . . .
C20 C 0.8780(6) 0.4132(3) 0.4070(4) 0.1002(15) Uani 1 1 d . . . . .
H20A H 0.805628 0.455624 0.403009 0.12 Uiso 1 1 calc R U . . .
H20B H 0.932909 0.403789 0.476031 0.12 Uiso 1 1 calc R U . . .
C21 C 0.9787(5) 0.4419(3) 0.3570(4) 0.1006(14) Uani 1 1 d . . . . .
H21A H 1.063175 0.406545 0.37387 0.151 Uiso 1 1 calc R U . . .
H21B H 1.009232 0.49725 0.377233 0.151 Uiso 1 1 calc R U . . .
H21C H 0.929537 0.44062 0.287044 0.151 Uiso 1 1 calc R U . . .
N1 N 0.6205(2) 0.11815(15) 0.46703(17) 0.0466(5) Uani 1 1 d . . . . .
N2 N 0.9701(3) -0.13730(18) 0.4035(2) 0.0671(7) Uani 1 1 d . . . . .
O1 O 0.3927(2) 0.23296(17) 0.40465(15) 0.0642(6) Uani 1 1 d . . . . .
O2 O 0.7335(2) 0.12850(12) 0.32451(15) 0.0524(5) Uani 1 1 d . . . . .
O3 O 0.9918(5) -0.19845(18) 0.4553(3) 0.1128(12) Uani 1 1 d . . . . .
O4 O 1.0250(3) -0.12672(19) 0.3392(2) 0.0861(8) Uani 1 1 d . . . . .
O5 O 0.2528(3) 0.36871(18) 0.6438(2) 0.0768(8) Uani 1 1 d . . . . .
Sn1 Sn 0.55788(2) 0.20356(2) 0.34389(2) 0.04595(8) Uani 1 1 d . . . . .
H7 H 0.671(4) 0.107(2) 0.608(3) 0.062(9) Uiso 1 1 d . . . . .
H16A H 0.122(4) 0.115(3) 0.106(3) 0.079(11) Uiso 1 1 d . . . . .
H16B H 0.234(4) 0.046(2) 0.088(3) 0.064(10) Uiso 1 1 d . . . . .
H15A H 0.260(4) 0.108(2) 0.279(3) 0.067(10) Uiso 1 1 d . . . . .
H15B H 0.367(4) 0.042(2) 0.258(2) 0.064(10) Uiso 1 1 d . . . . .
H14B H 0.448(4) 0.148(3) 0.175(3) 0.072(12) Uiso 1 1 d . . . . .
H14A H 0.343(4) 0.212(2) 0.188(3) 0.073(11) Uiso 1 1 d . . . . .
H5AA H 0.264(5) 0.368(3) 0.695(3) 0.092(17) Uiso 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
C11 C10 1.379(5) . ?
C11 C12 1.379(4) . ?
C11 N2 1.470(4) . ?
C12 C13 1.387(4) . ?
C12 H12 0.93 . ?
C13 O2 1.333(3) . ?
C13 C8 1.416(4) . ?
C8 C9 1.384(4) . ?
C8 N1 1.415(4) . ?
C9 C10 1.379(4) . ?
C9 H9 0.93 . ?
C10 H10 0.93 . ?
C7 N1 1.320(4) . ?
C7 C6 1.411(4) . ?
C7 H7 0.95(3) . ?
C6 C1 1.423(4) . ?
C6 C5 1.425(4) . ?
C1 O1 1.310(4) . ?
C1 C2 1.398(4) . ?
C2 C3 1.368(5) . ?
C2 H2 0.93 . ?
C3 O5 1.353(4) . ?
C3 C4 1.400(5) . ?
C4 C5 1.366(5) . ?
C4 H4 0.93 . ?
C5 H5 0.93 . ?
C17 C16 1.514(5) . ?
C17 H17A 0.96 . ?
C17 H17B 0.96 . ?
C17 H17C 0.96 . ?
C16 C15 1.526(4) . ?
C16 H16A 1.03(4) . ?
C16 H16B 0.98(4) . ?
C15 C14 1.519(4) . ?
C15 H15A 1.00(4) . ?
C15 H15B 1.01(4) . ?
C14 Sn1 2.119(3) . ?
C14 H14B 0.86(4) . ?
C14 H14A 0.96(4) . ?
C18 C19 1.473(5) . ?
C18 Sn1 2.105(3) . ?
C18 H18A 0.97 . ?
C18 H18B 0.97 . ?
C19 C20 1.540(5) . ?
C19 H19A 0.97 . ?
C19 H19B 0.97 . ?
C20 C21 1.470(6) . ?
C20 H20A 0.97 . ?
C20 H20B 0.97 . ?
C21 H21A 0.96 . ?
C21 H21B 0.96 . ?
C21 H21C 0.96 . ?
N1 Sn1 2.173(2) . ?
N2 O3 1.218(4) . ?
N2 O4 1.225(4) . ?
O1 Sn1 2.118(2) . ?
O2 Sn1 2.1830(19) . ?
O5 H5AA 0.71(5) . ?

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
C10 C11 C12 122.8(3) . . ?
C10 C11 N2 119.0(3) . . ?
C12 C11 N2 118.1(3) . . ?
C11 C12 C13 119.4(3) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
O2 C13 C12 123.1(3) . . ?
O2 C13 C8 118.6(2) . . ?
C12 C13 C8 118.3(3) . . ?
C9 C8 N1 125.1(3) . . ?
C9 C8 C13 120.7(3) . . ?
N1 C8 C13 114.2(2) . . ?
C10 C9 C8 120.5(3) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 118.3(3) . . ?
C9 C10 H10 120.9 . . ?
C11 C10 H10 120.9 . . ?
N1 C7 C6 126.3(3) . . ?
N1 C7 H7 117(2) . . ?
C6 C7 H7 117(2) . . ?
C7 C6 C1 123.9(3) . . ?
C7 C6 C5 117.8(3) . . ?
C1 C6 C5 118.2(3) . . ?
O1 C1 C2 119.2(3) . . ?
O1 C1 C6 122.0(3) . . ?
C2 C1 C6 118.7(3) . . ?
C3 C2 C1 121.4(3) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
O5 C3 C2 117.3(3) . . ?
O5 C3 C4 121.7(3) . . ?
C2 C3 C4 120.9(3) . . ?
C5 C4 C3 119.1(3) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 121.6(3) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C17 C16 C15 112.8(3) . . ?
C17 C16 H16A 112(2) . . ?
C15 C16 H16A 107(2) . . ?
C17 C16 H16B 109(2) . . ?
C15 C16 H16B 108(2) . . ?
H16A C16 H16B 108(3) . . ?
C14 C15 C16 113.0(3) . . ?
C14 C15 H15A 110(2) . . ?
C16 C15 H15A 109.7(19) . . ?
C14 C15 H15B 112(2) . . ?
C16 C15 H15B 107.0(19) . . ?
H15A C15 H15B 105(3) . . ?
C15 C14 Sn1 112.6(2) . . ?
C15 C14 H14B 112(3) . . ?
Sn1 C14 H14B 104(2) . . ?
C15 C14 H14A 114(2) . . ?
Sn1 C14 H14A 102(2) . . ?
H14B C14 H14A 111(4) . . ?
C19 C18 Sn1 118.1(3) . . ?
C19 C18 H18A 107.8 . . ?
Sn1 C18 H18A 107.8 . . ?
C19 C18 H18B 107.8 . . ?
Sn1 C18 H18B 107.8 . . ?
H18A C18 H18B 107.1 . . ?
C18 C19 C20 112.5(3) . . ?
C18 C19 H19A 109.1 . . ?
C20 C19 H19A 109.1 . . ?
C18 C19 H19B 109.1 . . ?
C20 C19 H19B 109.1 . . ?
H19A C19 H19B 107.8 . . ?
C21 C20 C19 111.8(4) . . ?
C21 C20 H20A 109.3 . . ?
C19 C20 H20A 109.3 . . ?
C21 C20 H20B 109.3 . . ?
C19 C20 H20B 109.3 . . ?
H20A C20 H20B 107.9 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C7 N1 C8 121.1(3) . . ?
C7 N1 Sn1 122.5(2) . . ?
C8 N1 Sn1 114.49(17) . . ?
O3 N2 O4 123.4(3) . . ?
O3 N2 C11 117.9(3) . . ?
O4 N2 C11 118.7(3) . . ?
C1 O1 Sn1 124.83(19) . . ?
C13 O2 Sn1 114.94(16) . . ?
C3 O5 H5AA 109(4) . . ?
C18 Sn1 O1 93.56(13) . . ?
C18 Sn1 C14 137.96(15) . . ?
O1 Sn1 C14 91.04(11) . . ?
C18 Sn1 N1 105.05(13) . . ?
O1 Sn1 N1 81.22(9) . . ?
C14 Sn1 N1 116.94(11) . . ?
C18 Sn1 O2 98.72(12) . . ?
O1 Sn1 O2 154.93(9) . . ?
C14 Sn1 O2 94.25(11) . . ?
N1 Sn1 O2 74.54(8) . . ?

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
C10 C11 C12 C13 1.0(4) . . . . ?
N2 C11 C12 C13 -179.7(3) . . . . ?
C11 C12 C13 O2 -179.8(3) . . . . ?
C11 C12 C13 C8 0.9(4) . . . . ?
O2 C13 C8 C9 178.3(3) . . . . ?
C12 C13 C8 C9 -2.4(4) . . . . ?
O2 C13 C8 N1 0.1(4) . . . . ?
C12 C13 C8 N1 179.5(2) . . . . ?
N1 C8 C9 C10 179.9(3) . . . . ?
C13 C8 C9 C10 2.0(5) . . . . ?
C8 C9 C10 C11 -0.1(5) . . . . ?
C12 C11 C10 C9 -1.4(5) . . . . ?
N2 C11 C10 C9 179.3(3) . . . . ?
N1 C7 C6 C1 9.6(5) . . . . ?
N1 C7 C6 C5 -173.8(3) . . . . ?
C7 C6 C1 O1 -2.2(5) . . . . ?
C5 C6 C1 O1 -178.9(3) . . . . ?
C7 C6 C1 C2 174.5(3) . . . . ?
C5 C6 C1 C2 -2.1(5) . . . . ?
O1 C1 C2 C3 177.9(3) . . . . ?
C6 C1 C2 C3 1.1(5) . . . . ?
C1 C2 C3 O5 -179.6(3) . . . . ?
C1 C2 C3 C4 1.2(5) . . . . ?
O5 C3 C4 C5 178.4(3) . . . . ?
C2 C3 C4 C5 -2.4(5) . . . . ?
C3 C4 C5 C6 1.3(5) . . . . ?
C7 C6 C5 C4 -175.9(3) . . . . ?
C1 C6 C5 C4 0.9(5) . . . . ?
C17 C16 C15 C14 179.5(4) . . . . ?
C16 C15 C14 Sn1 178.0(2) . . . . ?
Sn1 C18 C19 C20 -179.9(3) . . . . ?
C18 C19 C20 C21 -169.6(4) . . . . ?
C6 C7 N1 C8 -176.8(3) . . . . ?
C6 C7 N1 Sn1 19.8(4) . . . . ?
C9 C8 N1 C7 30.6(4) . . . . ?
C13 C8 N1 C7 -151.4(3) . . . . ?
C9 C8 N1 Sn1 -164.8(2) . . . . ?
C13 C8 N1 Sn1 13.3(3) . . . . ?
C10 C11 N2 O3 -0.2(5) . . . . ?
C12 C11 N2 O3 -179.5(3) . . . . ?
C10 C11 N2 O4 -178.3(3) . . . . ?
C12 C11 N2 O4 2.4(4) . . . . ?
C2 C1 O1 Sn1 148.0(2) . . . . ?
C6 C1 O1 Sn1 -35.3(4) . . . . ?
C12 C13 O2 Sn1 167.3(2) . . . . ?
C8 C13 O2 Sn1 -13.5(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O5 H5AA O2 0.71(5) 1.98(5) 2.676(3) 164(5) 4_566 yes
O5 H5AA O2 0.71(5) 1.98(5) 2.676(3) 164(5) 4_566 yes



# END of CIF
_exptl_crystal_colour            'Deep Red'
_exptl_crystal_preparation       Luminescent
