# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2019

####################################################################### 
# 
# 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 1871700'
loop_
_audit_author_name
_audit_author_address
'Blanca M. Munoz-Flores' 'Universidad Aut?noma de Nuevo Le?n'
_audit_update_record             
;
2018-10-05 deposited with the CCDC.	2019-02-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H22 N2 O3 Sn'
_chemical_formula_sum            'C27 H22 N2 O3 Sn'
_chemical_formula_weight         541.18

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                   8.7687(2)
_cell_length_b                   11.4801(2)
_cell_length_c                   13.2600(2)
_cell_angle_alpha                64.2670(10)
_cell_angle_beta                 81.3370(10)
_cell_angle_gamma                90.3440(10)
_cell_volume                     1184.90(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    18324
_cell_measurement_theta_min      2.91
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_F_000             544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.109
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26003
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.141
_diffrn_reflns_theta_max         27.522
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             5401
_reflns_number_gt                4712
_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    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_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)+(0.0362P)²+0.2046P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5401
_refine_ls_number_parameters     366
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0268
_refine_ls_wR_factor_ref         0.0662
_refine_ls_wR_factor_gt          0.0627
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_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
C2 C 0.4825(3) -0.0609(2) 0.76851(18) 0.0554(5) Uani 1 1 d . . . . .
C3 C 0.4216(3) -0.1673(2) 0.7592(2) 0.0610(6) Uani 1 1 d . . . . .
C4 C 0.3485(3) -0.1478(2) 0.6705(2) 0.0568(5) Uani 1 1 d . . . . .
C5 C 0.3295(2) -0.02204(19) 0.58721(17) 0.0482(4) Uani 1 1 d . . . . .
C6 C 0.3933(2) 0.08545(19) 0.59608(16) 0.0467(4) Uani 1 1 d . . . . .
C7 C 0.4697(3) 0.0644(2) 0.68767(18) 0.0519(5) Uani 1 1 d . . . . .
C8 C 0.2514(3) -0.0133(2) 0.49811(18) 0.0503(5) Uani 1 1 d . . . . .
C9 C 0.0955(2) 0.1865(2) 0.26846(18) 0.0516(5) Uani 1 1 d . . . . .
C10 C 0.0167(3) 0.1867(2) 0.17749(18) 0.0548(5) Uani 1 1 d . . . . .
C11 C -0.0301(3) 0.0709(3) 0.1772(2) 0.0642(6) Uani 1 1 d . . . . .
C12 C -0.1080(3) 0.0733(4) 0.0931(3) 0.0803(8) Uani 1 1 d . . . . .
C13 C -0.1383(4) 0.1885(4) 0.0097(3) 0.0882(10) Uani 1 1 d . . . . .
C14 C -0.0918(4) 0.3023(4) 0.0084(3) 0.0951(11) Uani 1 1 d . . . . .
C15 C -0.0143(4) 0.3026(3) 0.0927(2) 0.0776(8) Uani 1 1 d . . . . .
C16 C 0.0589(3) 0.31003(19) 0.51186(19) 0.0524(5) Uani 1 1 d . . . . .
C17 C -0.0844(3) 0.3435(3) 0.4824(3) 0.0688(6) Uani 1 1 d . . . . .
C18 C -0.2019(4) 0.3531(3) 0.5615(3) 0.0865(9) Uani 1 1 d . . . . .
C19 C -0.1779(4) 0.3305(3) 0.6665(3) 0.0828(9) Uani 1 1 d . . . . .
C20 C -0.0359(4) 0.2976(3) 0.6965(3) 0.0816(8) Uani 1 1 d . . . . .
C21 C 0.0792(4) 0.2874(3) 0.6198(2) 0.0686(7) Uani 1 1 d . . . . .
C22 C 0.4146(3) 0.43386(19) 0.28433(18) 0.0517(5) Uani 1 1 d . . . . .
C23 C 0.4064(4) 0.4977(3) 0.1707(2) 0.0743(7) Uani 1 1 d . . . . .
H23 H 0.3264 0.4737 0.1430 0.089 Uiso 1 1 calc R U . . .
C24 C 0.5151(5) 0.5972(3) 0.0970(3) 0.1020(11) Uani 1 1 d . . . . .
H24 H 0.5068 0.6404 0.0206 0.122 Uiso 1 1 calc R U . . .
C25 C 0.6337(5) 0.6321(4) 0.1351(3) 0.1119(13) Uani 1 1 d . . . . .
H25 H 0.7074 0.6986 0.0852 0.134 Uiso 1 1 calc R U . . .
C26 C 0.6438(5) 0.5692(4) 0.2467(4) 0.1261(16) Uani 1 1 d . . . . .
H26 H 0.7255 0.5924 0.2733 0.151 Uiso 1 1 calc R U . . .
C27 C 0.5343(4) 0.4707(3) 0.3218(3) 0.0880(10) Uani 1 1 d . . . . .
H27 H 0.5423 0.4293 0.3984 0.106 Uiso 1 1 calc R U . . .
C28 C 0.6319(4) 0.0132(3) 0.8677(3) 0.0819(8) Uani 1 1 d . . . . .
N1 N 0.2153(2) 0.09224(16) 0.41778(14) 0.0475(4) Uani 1 1 d . . . . .
N2 N 0.1384(2) 0.07645(18) 0.33911(16) 0.0534(4) Uani 1 1 d . . . . .
O1 O 0.1181(2) 0.29742(15) 0.27230(14) 0.0654(4) Uani 1 1 d . . . . .
O2 O 0.38897(19) 0.20727(14) 0.52036(13) 0.0556(4) Uani 1 1 d . . . . .
O3 O 0.5513(2) -0.08948(18) 0.86096(14) 0.0718(5) Uani 1 1 d . . . . .
Sn1 Sn 0.24363(2) 0.28574(2) 0.40095(2) 0.04774(7) Uani 1 1 d . . . . .
H3 H 0.428(3) -0.251(3) 0.817(3) 0.089(9) Uiso 1 1 d . . . . .
H4 H 0.307(3) -0.218(2) 0.6599(19) 0.050(6) Uiso 1 1 d . . . . .
H7 H 0.512(3) 0.134(3) 0.698(2) 0.062(7) Uiso 1 1 d . . . . .
H8 H 0.219(3) -0.096(2) 0.497(2) 0.054(6) Uiso 1 1 d . . . . .
H11 H -0.013(3) -0.014(3) 0.243(3) 0.083(9) Uiso 1 1 d . . . . .
H12 H -0.140(4) -0.005(4) 0.089(3) 0.108(11) Uiso 1 1 d . . . . .
H13 H -0.194(4) 0.186(3) -0.045(3) 0.088(9) Uiso 1 1 d . . . . .
H14 H -0.108(4) 0.383(4) -0.056(3) 0.114(12) Uiso 1 1 d . . . . .
H15 H 0.026(4) 0.387(3) 0.090(3) 0.088(9) Uiso 1 1 d . . . . .
H17 H -0.099(3) 0.361(3) 0.412(2) 0.069(8) Uiso 1 1 d . . . . .
H18 H -0.284(4) 0.369(3) 0.544(3) 0.086(11) Uiso 1 1 d . . . . .
H19 H -0.259(4) 0.342(3) 0.715(3) 0.100(11) Uiso 1 1 d . . . . .
H20 H -0.015(5) 0.283(4) 0.775(4) 0.140(15) Uiso 1 1 d . . . . .
H21 H 0.155(4) 0.269(3) 0.636(3) 0.084(11) Uiso 1 1 d . . . . .
H28A H 0.558(4) 0.079(3) 0.874(3) 0.092(10) Uiso 1 1 d . . . . .
H28B H 0.710(4) 0.055(3) 0.798(3) 0.085(9) Uiso 1 1 d . . . . .
H28C H 0.676(4) -0.022(3) 0.937(3) 0.105(11) Uiso 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
C2 O3 1.360(3) . ?
C2 C7 1.389(3) . ?
C2 C3 1.392(4) . ?
C3 C4 1.357(4) . ?
C3 H3 0.94(3) . ?
C4 C5 1.416(3) . ?
C4 H4 0.95(2) . ?
C5 C6 1.410(3) . ?
C5 C8 1.420(3) . ?
C6 O2 1.326(2) . ?
C6 C7 1.405(3) . ?
C7 H7 0.95(3) . ?
C8 N1 1.299(3) . ?
C8 H8 1.00(2) . ?
C9 N2 1.304(3) . ?
C9 O1 1.311(3) . ?
C9 C10 1.477(3) . ?
C10 C15 1.381(4) . ?
C10 C11 1.391(3) . ?
C11 C12 1.383(4) . ?
C11 H11 1.02(3) . ?
C12 C13 1.366(5) . ?
C12 H12 0.97(4) . ?
C13 C14 1.358(5) . ?
C13 H13 0.95(3) . ?
C14 C15 1.394(4) . ?
C14 H14 0.98(4) . ?
C15 H15 1.01(3) . ?
C16 C17 1.379(4) . ?
C16 C21 1.380(4) . ?
C16 Sn1 2.124(2) . ?
C17 C18 1.397(5) . ?
C17 H17 0.90(3) . ?
C18 C19 1.351(5) . ?
C18 H18 0.79(3) . ?
C19 C20 1.369(5) . ?
C19 H19 0.93(4) . ?
C20 C21 1.365(4) . ?
C20 H20 1.02(4) . ?
C21 H21 0.73(3) . ?
C22 C27 1.364(4) . ?
C22 C23 1.374(3) . ?
C22 Sn1 2.126(2) . ?
C23 C24 1.380(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.351(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.354(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.383(4) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 O3 1.413(4) . ?
C28 H28A 1.02(3) . ?
C28 H28B 0.99(3) . ?
C28 H28C 0.98(3) . ?
N1 N2 1.397(2) . ?
N1 Sn1 2.1429(17) . ?
O1 Sn1 2.1231(15) . ?
O2 Sn1 2.0799(15) . ?

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
O3 C2 C7 124.1(2) . . ?
O3 C2 C3 115.4(2) . . ?
C7 C2 C3 120.5(2) . . ?
C4 C3 C2 119.4(2) . . ?
C4 C3 H3 121(2) . . ?
C2 C3 H3 119(2) . . ?
C3 C4 C5 122.3(2) . . ?
C3 C4 H4 122.3(14) . . ?
C5 C4 H4 115.4(14) . . ?
C6 C5 C4 118.1(2) . . ?
C6 C5 C8 124.49(18) . . ?
C4 C5 C8 117.4(2) . . ?
O2 C6 C7 117.28(19) . . ?
O2 C6 C5 123.45(18) . . ?
C7 C6 C5 119.25(18) . . ?
C2 C7 C6 120.4(2) . . ?
C2 C7 H7 117.8(16) . . ?
C6 C7 H7 121.8(16) . . ?
N1 C8 C5 126.58(19) . . ?
N1 C8 H8 116.1(14) . . ?
C5 C8 H8 117.3(14) . . ?
N2 C9 O1 124.44(19) . . ?
N2 C9 C10 117.9(2) . . ?
O1 C9 C10 117.6(2) . . ?
C15 C10 C11 119.2(2) . . ?
C15 C10 C9 120.1(2) . . ?
C11 C10 C9 120.7(2) . . ?
C12 C11 C10 119.7(3) . . ?
C12 C11 H11 121.5(17) . . ?
C10 C11 H11 118.6(17) . . ?
C13 C12 C11 120.6(3) . . ?
C13 C12 H12 117(2) . . ?
C11 C12 H12 122(2) . . ?
C14 C13 C12 120.2(3) . . ?
C14 C13 H13 122.1(19) . . ?
C12 C13 H13 117.7(19) . . ?
C13 C14 C15 120.4(3) . . ?
C13 C14 H14 118(2) . . ?
C15 C14 H14 122(2) . . ?
C10 C15 C14 119.9(3) . . ?
C10 C15 H15 119.3(18) . . ?
C14 C15 H15 120.7(18) . . ?
C17 C16 C21 117.7(3) . . ?
C17 C16 Sn1 122.83(19) . . ?
C21 C16 Sn1 119.4(2) . . ?
C16 C17 C18 119.5(3) . . ?
C16 C17 H17 119.1(18) . . ?
C18 C17 H17 121.4(18) . . ?
C19 C18 C17 121.3(3) . . ?
C19 C18 H18 121(3) . . ?
C17 C18 H18 117(3) . . ?
C18 C19 C20 119.7(3) . . ?
C18 C19 H19 118(2) . . ?
C20 C19 H19 122(2) . . ?
C21 C20 C19 119.3(3) . . ?
C21 C20 H20 120(2) . . ?
C19 C20 H20 121(2) . . ?
C20 C21 C16 122.5(3) . . ?
C20 C21 H21 120(3) . . ?
C16 C21 H21 118(3) . . ?
C27 C22 C23 118.0(2) . . ?
C27 C22 Sn1 120.25(18) . . ?
C23 C22 Sn1 121.69(19) . . ?
C22 C23 C24 120.9(3) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C25 C24 C23 120.5(3) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C26 C25 C24 119.2(3) . . ?
C26 C25 H25 120.4 . . ?
C24 C25 H25 120.4 . . ?
C25 C26 C27 120.9(3) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C22 C27 C26 120.5(3) . . ?
C22 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
O3 C28 H28A 110.7(19) . . ?
O3 C28 H28B 107.0(18) . . ?
H28A C28 H28B 110(3) . . ?
O3 C28 H28C 109(2) . . ?
H28A C28 H28C 106(3) . . ?
H28B C28 H28C 114(3) . . ?
C8 N1 N2 116.23(17) . . ?
C8 N1 Sn1 127.11(15) . . ?
N2 N1 Sn1 116.44(12) . . ?
C9 N2 N1 111.34(17) . . ?
C9 O1 Sn1 113.85(14) . . ?
C6 O2 Sn1 129.56(13) . . ?
C2 O3 C28 117.9(2) . . ?
O2 Sn1 C16 96.31(8) . . ?
O2 Sn1 O1 156.90(7) . . ?
C16 Sn1 O1 98.09(8) . . ?
O2 Sn1 C22 93.11(7) . . ?
C16 Sn1 C22 125.28(8) . . ?
O1 Sn1 C22 93.21(8) . . ?
O2 Sn1 N1 84.55(6) . . ?
C16 Sn1 N1 108.07(7) . . ?
O1 Sn1 N1 73.86(6) . . ?
C22 Sn1 N1 126.47(7) . . ?

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
O3 C2 C3 C4 178.9(2) . . . . ?
C7 C2 C3 C4 -0.4(4) . . . . ?
C2 C3 C4 C5 -1.0(4) . . . . ?
C3 C4 C5 C6 1.9(3) . . . . ?
C3 C4 C5 C8 179.9(2) . . . . ?
C4 C5 C6 O2 176.80(19) . . . . ?
C8 C5 C6 O2 -1.0(3) . . . . ?
C4 C5 C6 C7 -1.4(3) . . . . ?
C8 C5 C6 C7 -179.3(2) . . . . ?
O3 C2 C7 C6 -178.4(2) . . . . ?
C3 C2 C7 C6 0.8(3) . . . . ?
O2 C6 C7 C2 -178.18(19) . . . . ?
C5 C6 C7 C2 0.1(3) . . . . ?
C6 C5 C8 N1 -6.2(3) . . . . ?
C4 C5 C8 N1 176.0(2) . . . . ?
N2 C9 C10 C15 -172.2(2) . . . . ?
O1 C9 C10 C15 7.5(3) . . . . ?
N2 C9 C10 C11 9.1(3) . . . . ?
O1 C9 C10 C11 -171.2(2) . . . . ?
C15 C10 C11 C12 -0.7(4) . . . . ?
C9 C10 C11 C12 178.0(2) . . . . ?
C10 C11 C12 C13 0.5(4) . . . . ?
C11 C12 C13 C14 0.1(5) . . . . ?
C12 C13 C14 C15 -0.7(6) . . . . ?
C11 C10 C15 C14 0.2(4) . . . . ?
C9 C10 C15 C14 -178.5(3) . . . . ?
C13 C14 C15 C10 0.5(5) . . . . ?
C21 C16 C17 C18 0.0(4) . . . . ?
Sn1 C16 C17 C18 177.7(2) . . . . ?
C16 C17 C18 C19 0.1(5) . . . . ?
C17 C18 C19 C20 0.1(5) . . . . ?
C18 C19 C20 C21 -0.4(5) . . . . ?
C19 C20 C21 C16 0.5(5) . . . . ?
C17 C16 C21 C20 -0.3(4) . . . . ?
Sn1 C16 C21 C20 -178.1(2) . . . . ?
C27 C22 C23 C24 -0.7(5) . . . . ?
Sn1 C22 C23 C24 177.4(3) . . . . ?
C22 C23 C24 C25 1.2(6) . . . . ?
C23 C24 C25 C26 -0.6(7) . . . . ?
C24 C25 C26 C27 -0.4(8) . . . . ?
C23 C22 C27 C26 -0.3(5) . . . . ?
Sn1 C22 C27 C26 -178.4(3) . . . . ?
C25 C26 C27 C22 0.9(7) . . . . ?
C5 C8 N1 N2 179.90(19) . . . . ?
C5 C8 N1 Sn1 -5.7(3) . . . . ?
O1 C9 N2 N1 -1.5(3) . . . . ?
C10 C9 N2 N1 178.14(17) . . . . ?
C8 N1 N2 C9 174.33(19) . . . . ?
Sn1 N1 N2 C9 -0.7(2) . . . . ?
N2 C9 O1 Sn1 3.0(3) . . . . ?
C10 C9 O1 Sn1 -176.71(14) . . . . ?
C7 C6 O2 Sn1 -161.45(15) . . . . ?
C5 C6 O2 Sn1 20.3(3) . . . . ?
C7 C2 O3 C28 -8.5(4) . . . . ?
C3 C2 O3 C28 172.3(3) . . . . ?

_refine_diff_density_max         0.528
_refine_diff_density_min         -0.602
_refine_diff_density_rms         0.051

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_dias831m
_database_code_depnum_ccdc_archive 'CCDC 1872097'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2018-10-08 deposited with the CCDC.	2019-02-27 downloaded from the CCDC.
;
_audit_creation_date             2018-10-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C34 H36 N2 O2 Sn'
_chemical_formula_sum            'C34 H36 N2 O2 Sn'
_chemical_formula_weight         623.34
_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                   10.3043(12)
_cell_length_b                   11.1764(13)
_cell_length_c                   12.8993(15)
_cell_angle_alpha                85.3470(10)
_cell_angle_beta                 87.3890(10)
_cell_angle_gamma                83.9970(10)
_cell_volume                     1471.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9963
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.956
_shelx_estimated_absorpt_T_min   0.761
_exptl_absorpt_coefficient_mu    0.901
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6218
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2008/1 (Bruker,2008) was used for absorption correction. wR2(int) was 0.0572 before and 0.0265 after correction. The Ratio of minimum to maximum transmission is 0.8338. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_unetI/netI     0.0244
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14585
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.329
_diffrn_reflns_theta_min         1.585
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6950
_reflns_number_total             7251
_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       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.137
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         7251
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0282
_refine_ls_restrained_S_all      1.080
_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)+(0.0432P)²+0.6820P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0725
_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.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14),
 C24(H24), C25(H25), C26(H26), C27(H27), C28(H28), C30(H30), C31(H31), C32(H32),
  C33(H33), C34(H34)
2.b Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Sn Sn 0.15058(2) 0.73284(2) 0.08417(2) 0.01655(5) Uani 1 1 d . . . . .
O1 O 0.01717(12) 0.75129(11) 0.20937(10) 0.0197(2) Uani 1 1 d . . . . .
O2 O 0.29048(13) 0.78391(11) -0.03435(10) 0.0216(2) Uani 1 1 d . . . . .
N1 N 0.14724(14) 0.92442(13) 0.08326(11) 0.0172(3) Uani 1 1 d . . . . .
N2 N 0.23282(14) 0.97961(13) 0.01190(11) 0.0190(3) Uani 1 1 d . . . . .
C1 C -0.04770(16) 0.84569(15) 0.25153(13) 0.0166(3) Uani 1 1 d . . . . .
C2 C -0.14836(16) 0.82758(15) 0.32892(13) 0.0173(3) Uani 1 1 d . . . . .
C3 C -0.20339(17) 0.92758(16) 0.37879(14) 0.0191(3) Uani 1 1 d . . . . .
H3 H -0.269276 0.915279 0.431380 0.023 Uiso 1 1 calc R . . . .
C4 C -0.16842(16) 1.04584(15) 0.35688(13) 0.0182(3) Uani 1 1 d . . . . .
C5 C -0.07794(16) 1.06295(15) 0.27678(13) 0.0182(3) Uani 1 1 d . . . . .
H5 H -0.055686 1.142174 0.256941 0.022 Uiso 1 1 calc R . . . .
C6 C -0.01725(16) 0.96518(15) 0.22324(13) 0.0170(3) Uani 1 1 d . . . . .
C7 C 0.07712(17) 0.99664(15) 0.14311(13) 0.0182(3) Uani 1 1 d . . . . .
H7 H 0.089973 1.079744 0.132455 0.022 Uiso 1 1 calc R . . . .
C8 C 0.30199(16) 0.89956(15) -0.04227(13) 0.0179(3) Uani 1 1 d . . . . .
C9 C 0.40338(16) 0.94526(16) -0.11605(13) 0.0182(3) Uani 1 1 d . . . . .
C10 C 0.41900(18) 1.06845(17) -0.12878(15) 0.0236(4) Uani 1 1 d . . . . .
H10 H 0.362232 1.123974 -0.091730 0.028 Uiso 1 1 calc R . . . .
C11 C 0.51708(19) 1.11000(18) -0.19531(15) 0.0265(4) Uani 1 1 d . . . . .
H11 H 0.526975 1.193818 -0.203951 0.032 Uiso 1 1 calc R . . . .
C12 C 0.60074(18) 1.02906(19) -0.24924(14) 0.0264(4) Uani 1 1 d . . . . .
H12 H 0.667975 1.057532 -0.294596 0.032 Uiso 1 1 calc R . . . .
C13 C 0.58616(19) 0.90694(19) -0.23692(15) 0.0281(4) Uani 1 1 d . . . . .
H13 H 0.643667 0.851778 -0.273757 0.034 Uiso 1 1 calc R . . . .
C14 C 0.48778(19) 0.86462(17) -0.17090(14) 0.0241(4) Uani 1 1 d . . . . .
H14 H 0.477922 0.780768 -0.163065 0.029 Uiso 1 1 calc R . . . .
C15 C -0.19215(17) 0.70153(16) 0.36041(14) 0.0202(3) Uani 1 1 d . . . . .
C16 C -0.22631(18) 0.63870(17) 0.26483(15) 0.0241(4) Uani 1 1 d . . . . .
H16A H -0.252937 0.558730 0.287342 0.036 Uiso 1 1 calc GR . . . .
H16B H -0.149658 0.630121 0.217176 0.036 Uiso 1 1 calc GR . . . .
H16C H -0.298096 0.687249 0.229103 0.036 Uiso 1 1 calc GR . . . .
C17 C -0.08296(19) 0.62270(18) 0.41859(15) 0.0260(4) Uani 1 1 d . . . . .
H17A H -0.063449 0.660933 0.481042 0.039 Uiso 1 1 calc GR . . . .
H17B H -0.004355 0.614082 0.373017 0.039 Uiso 1 1 calc GR . . . .
H17C H -0.111519 0.542888 0.438782 0.039 Uiso 1 1 calc GR . . . .
C18 C -0.3157(2) 0.70892(18) 0.43227(16) 0.0291(4) Uani 1 1 d . . . . .
H18A H -0.346183 0.628652 0.444764 0.044 Uiso 1 1 calc GR . . . .
H18B H -0.384140 0.764643 0.399126 0.044 Uiso 1 1 calc GR . . . .
H18C H -0.295422 0.738184 0.498679 0.044 Uiso 1 1 calc GR . . . .
C19 C -0.22133(17) 1.14555(16) 0.42680(14) 0.0205(3) Uani 1 1 d . . . . .
C20 C -0.15009(19) 1.12205(19) 0.52980(15) 0.0269(4) Uani 1 1 d . . . . .
H20A H -0.184556 1.182459 0.577646 0.040 Uiso 1 1 calc GR . . . .
H20B H -0.056434 1.127436 0.516310 0.040 Uiso 1 1 calc GR . . . .
H20C H -0.163883 1.041278 0.561074 0.040 Uiso 1 1 calc GR . . . .
C21 C -0.36911(18) 1.14531(19) 0.44967(16) 0.0283(4) Uani 1 1 d . . . . .
H21A H -0.414964 1.158493 0.384171 0.042 Uiso 1 1 calc GR . . . .
H21B H -0.399401 1.209931 0.494674 0.042 Uiso 1 1 calc GR . . . .
H21C H -0.387126 1.067356 0.484739 0.042 Uiso 1 1 calc GR . . . .
C22 C -0.1959(2) 1.27118(17) 0.37791(17) 0.0329(5) Uani 1 1 d . . . . .
H22A H -0.238020 1.286066 0.310830 0.049 Uiso 1 1 calc GR . . . .
H22B H -0.101655 1.275239 0.367201 0.049 Uiso 1 1 calc GR . . . .
H22C H -0.231825 1.332459 0.424485 0.049 Uiso 1 1 calc GR . . . .
C23 C 0.29445(17) 0.62555(15) 0.17250(14) 0.0192(3) Uani 1 1 d . . . . .
C24 C 0.40543(18) 0.56833(17) 0.12373(15) 0.0235(4) Uani 1 1 d . . . . .
H24 H 0.419665 0.581460 0.050598 0.028 Uiso 1 1 calc R . . . .
C25 C 0.49520(19) 0.49206(19) 0.18226(18) 0.0291(4) Uani 1 1 d . . . . .
H25 H 0.569240 0.451873 0.148563 0.035 Uiso 1 1 calc R . . . .
C26 C 0.4770(2) 0.47471(19) 0.28883(17) 0.0311(4) Uani 1 1 d . . . . .
H26 H 0.538089 0.422345 0.328337 0.037 Uiso 1 1 calc R . . . .
C27 C 0.3693(2) 0.53387(19) 0.33820(16) 0.0293(4) Uani 1 1 d . . . . .
H27 H 0.357596 0.523331 0.411735 0.035 Uiso 1 1 calc R . . . .
C28 C 0.27825(18) 0.60866(17) 0.28010(14) 0.0233(3) Uani 1 1 d . . . . .
H28 H 0.204403 0.648524 0.314299 0.028 Uiso 1 1 calc R . . . .
C29 C 0.01702(17) 0.68158(15) -0.01923(13) 0.0185(3) Uani 1 1 d . . . . .
C30 C -0.11625(18) 0.71623(16) -0.00113(14) 0.0227(3) Uani 1 1 d . . . . .
H30 H -0.144507 0.755465 0.059766 0.027 Uiso 1 1 calc R . . . .
C31 C -0.20760(19) 0.69375(18) -0.07148(16) 0.0270(4) Uani 1 1 d . . . . .
H31 H -0.297672 0.717914 -0.058695 0.032 Uiso 1 1 calc R . . . .
C32 C -0.1669(2) 0.63599(17) -0.16029(16) 0.0268(4) Uani 1 1 d . . . . .
H32 H -0.229076 0.621033 -0.208626 0.032 Uiso 1 1 calc R . . . .
C33 C -0.0353(2) 0.60005(17) -0.17850(15) 0.0277(4) Uani 1 1 d . . . . .
H33 H -0.007701 0.559736 -0.238977 0.033 Uiso 1 1 calc R . . . .
C34 C 0.05642(19) 0.62285(17) -0.10848(14) 0.0234(3) Uani 1 1 d . . . . .
H34 H 0.146334 0.598259 -0.121577 0.028 Uiso 1 1 calc R . . . .


_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
Sn O1 2.0816(12) . ?
Sn O2 2.1379(13) . ?
Sn N1 2.1369(15) . ?
Sn C23 2.1199(18) . ?
Sn C29 2.1112(17) . ?
O1 C1 1.330(2) . ?
O2 C8 1.306(2) . ?
N1 N2 1.3976(19) . ?
N1 C7 1.303(2) . ?
N2 C8 1.311(2) . ?
C1 C2 1.425(2) . ?
C1 C6 1.419(2) . ?
C2 C3 1.391(2) . ?
C2 C15 1.542(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.409(2) . ?
C4 C5 1.375(2) . ?
C4 C19 1.531(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.415(2) . ?
C6 C7 1.435(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.483(2) . ?
C9 C10 1.398(3) . ?
C9 C14 1.397(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.389(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.389(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.384(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.390(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.539(3) . ?
C15 C17 1.539(3) . ?
C15 C18 1.539(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.538(3) . ?
C19 C21 1.538(2) . ?
C19 C22 1.535(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.400(2) . ?
C23 C28 1.390(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.395(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.380(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.388(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.392(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.402(2) . ?
C29 C34 1.395(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.392(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.387(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.389(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.393(3) . ?
C34 H34 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sn O2 158.23(5) . . ?
O1 Sn N1 84.32(5) . . ?
O1 Sn C23 94.43(6) . . ?
O1 Sn C29 95.78(6) . . ?
N1 Sn O2 74.17(5) . . ?
C23 Sn O2 92.64(6) . . ?
C23 Sn N1 117.60(6) . . ?
C29 Sn O2 95.38(6) . . ?
C29 Sn N1 112.11(6) . . ?
C29 Sn C23 129.95(6) . . ?
C1 O1 Sn 133.71(11) . . ?
C8 O2 Sn 112.91(10) . . ?
N2 N1 Sn 116.59(10) . . ?
C7 N1 Sn 127.94(11) . . ?
C7 N1 N2 115.45(14) . . ?
C8 N2 N1 111.02(14) . . ?
O1 C1 C2 119.84(15) . . ?
O1 C1 C6 121.60(15) . . ?
C6 C1 C2 118.54(15) . . ?
C1 C2 C15 121.90(15) . . ?
C3 C2 C1 117.61(15) . . ?
C3 C2 C15 120.45(15) . . ?
C2 C3 H3 117.7 . . ?
C2 C3 C4 124.69(16) . . ?
C4 C3 H3 117.7 . . ?
C3 C4 C19 120.07(15) . . ?
C5 C4 C3 116.77(16) . . ?
C5 C4 C19 122.94(15) . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.47(16) . . ?
C6 C5 H5 119.3 . . ?
C1 C6 C7 124.26(15) . . ?
C5 C6 C1 120.61(15) . . ?
C5 C6 C7 115.11(15) . . ?
N1 C7 C6 127.52(16) . . ?
N1 C7 H7 116.2 . . ?
C6 C7 H7 116.2 . . ?
O2 C8 N2 125.26(16) . . ?
O2 C8 C9 118.18(15) . . ?
N2 C8 C9 116.54(15) . . ?
C10 C9 C8 120.69(16) . . ?
C14 C9 C8 120.07(16) . . ?
C14 C9 C10 119.20(16) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.33(17) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.04(18) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.02(17) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.33(18) . . ?
C14 C13 H13 119.8 . . ?
C9 C14 H14 120.0 . . ?
C13 C14 C9 120.09(18) . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C2 111.48(14) . . ?
C16 C15 C18 106.35(15) . . ?
C17 C15 C2 109.83(14) . . ?
C17 C15 C16 109.30(15) . . ?
C17 C15 C18 108.19(15) . . ?
C18 C15 C2 111.57(15) . . ?
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 . . ?
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 . . ?
C4 C19 C20 107.40(14) . . ?
C4 C19 C21 111.76(15) . . ?
C4 C19 C22 111.88(15) . . ?
C20 C19 C21 109.06(15) . . ?
C22 C19 C20 108.63(17) . . ?
C22 C19 C21 108.05(16) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 Sn 120.86(13) . . ?
C28 C23 Sn 120.25(13) . . ?
C28 C23 C24 118.88(17) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 C23 120.17(18) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.33(19) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.89(18) . . ?
C27 C26 H26 120.1 . . ?
C26 C27 H27 120.0 . . ?
C26 C27 C28 120.08(19) . . ?
C28 C27 H27 120.0 . . ?
C23 C28 C27 120.61(18) . . ?
C23 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C30 C29 Sn 118.22(13) . . ?
C34 C29 Sn 122.80(13) . . ?
C34 C29 C30 118.81(17) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 C29 120.67(17) . . ?
C31 C30 H30 119.7 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 119.90(18) . . ?
C32 C31 H31 120.0 . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 119.96(18) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 119.9 . . ?
C32 C33 C34 120.28(18) . . ?
C34 C33 H33 119.9 . . ?
C29 C34 H34 119.8 . . ?
C33 C34 C29 120.38(17) . . ?
C33 C34 H34 119.8 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
