# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_kptu02071703_CL_iPrTMS_2
_database_code_depnum_ccdc_archive 'CCDC 1840126'
loop_
_audit_author_name
_audit_author_address
'Thasanaporn Ungpittagul'
;Vidyasirimedhi Institute of Science and Technology, Wangchan, Rayong 21210, Thailand
Thailand
;
_audit_update_record             
;
2018-04-27 deposited with the CCDC.	2020-04-14 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C26 H64 N6 Si4 Sn'
_chemical_formula_sum            'C26 H64 N6 Si4 Sn'
_chemical_formula_iupac          ?
_chemical_formula_weight         691.88
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   9.709(7)
_cell_length_b                   14.458(10)
_cell_length_c                   26.69(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3747.(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9809
_cell_measurement_theta_min      2.2354
_cell_measurement_theta_max      30.3682
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       square
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_size_max          0.1285
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.0485
_exptl_crystal_density_diffrn    1.226
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1472

_exptl_absorpt_coefficient_mu    0.833
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.908
_exptl_absorpt_correction_T_max  0.960

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'microfocus sealed x-ray tube'
_diffrn_source_type              'Incoatec I\mus'

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            208252
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_theta_min         2.23
_diffrn_reflns_theta_max         31.50
_diffrn_reflns_theta_full        31.50
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39

_refine_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_number_total             12451
_reflns_number_gt                11978
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0241
_refine_ls_R_factor_gt           0.0223
_refine_ls_wR_factor_gt          0.0520
_refine_ls_wR_factor_ref         0.0527
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_number_reflns         12451
_refine_ls_number_parameters     354
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0243P)²+1.8583P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.791
_refine_diff_density_min         -0.768
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Flack x determined using 5174 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.011(3)

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'
Si Si 0.0817 0.0704 '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'

_computing_data_collection       'APEX3 v2015.5-2 (Bruker AXS Inc., 2015)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'XT, VERSION 2014/4'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 717)'
_computing_publication_material  'Bruker SHELXL (Bruker AXS Inc., 2015)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn01 0.52794(2) 0.58634(2) 0.53994(2) 0.01078(3) Uani d . . . 1 . .
C C1 0.4947(2) 0.45356(14) 0.61145(8) 0.0118(4) Uani d . . . 1 . .
Si Si1 0.40816(7) 0.29628(5) 0.65926(2) 0.01749(12) Uani d . . . 1 . .
N N1 0.39489(19) 0.51605(13) 0.60754(7) 0.0132(3) Uani d . . . 1 . .
Si Si2 0.64189(6) 0.42484(5) 0.69735(2) 0.01402(11) Uani d . . . 1 . .
C C2 0.4804(2) 0.55165(13) 0.44118(7) 0.0103(3) Uani d . . . 1 . .
N N2 0.58072(19) 0.45303(13) 0.57228(7) 0.0129(3) Uani d . . . 1 . .
N N3 0.51376(19) 0.39406(12) 0.65377(6) 0.0123(3) Uani d . . . 1 . .
Si Si3 0.38234(6) 0.67373(4) 0.37195(2) 0.01180(10) Uani d . . . 1 . .
C C3 0.3106(2) 0.54317(17) 0.65041(9) 0.0161(4) Uani d . . . 1 . .
H H3 0.3445 0.51 0.6809 0.019 Uiso calc U . R 1 . .
N N4 0.39053(18) 0.54568(13) 0.47929(7) 0.0119(3) Uani d . . . 1 . .
C C4 0.3228(3) 0.64748(19) 0.65911(10) 0.0247(5) Uani d . . . 1 . .
H H4A 0.4196 0.6637 0.6647 0.037 Uiso calc U . R 1 . .
H H4B 0.2685 0.6649 0.6886 0.037 Uiso calc U . R 1 . .
H H4C 0.2882 0.6806 0.6297 0.037 Uiso calc U . R 1 . .
Si Si4 0.43973(6) 0.46601(4) 0.35046(2) 0.01471(12) Uani d . . . 1 . .
N N5 0.61066(17) 0.55153(12) 0.45595(7) 0.0113(3) Uani d . . . 1 . .
C C5 0.1584(3) 0.5179(2) 0.64178(10) 0.0251(5) Uani d . . . 1 . .
H H5A 0.1217 0.5548 0.614 0.038 Uiso calc U . R 1 . .
H H5B 0.1056 0.5308 0.6723 0.038 Uiso calc U . R 1 . .
H H5C 0.1512 0.452 0.6336 0.038 Uiso calc U . R 1 . .
C C9 0.2431(2) 0.52885(15) 0.47367(8) 0.0129(4) Uani d . . . 1 . .
H H9 0.2197 0.5274 0.4372 0.015 Uiso calc U . R 1 . .
C C8 0.6564(3) 0.33231(18) 0.51440(10) 0.0270(6) Uani d . . . 1 . .
H H8A 0.6544 0.3767 0.4867 0.04 Uiso calc U . R 1 . .
H H8B 0.5669 0.3013 0.5169 0.04 Uiso calc U . R 1 . .
H H8C 0.7285 0.2862 0.5083 0.04 Uiso calc U . R 1 . .
C C7 0.8291(3) 0.4288(2) 0.56122(11) 0.0302(6) Uani d . . . 1 . .
H H7A 0.8991 0.3816 0.5544 0.045 Uiso calc U . R 1 . .
H H7B 0.8488 0.4584 0.5935 0.045 Uiso calc U . R 1 . .
H H7C 0.8306 0.4755 0.5346 0.045 Uiso calc U . R 1 . .
N N6 0.43607(17) 0.56188(12) 0.39046(6) 0.0104(3) Uani d . . . 1 . .
C C6 0.6863(2) 0.38321(17) 0.56318(9) 0.0186(4) Uani d . . . 1 . .
H H6 0.6849 0.3376 0.5913 0.022 Uiso calc U . R 1 . .
C C10 0.1616(2) 0.60580(17) 0.49877(9) 0.0192(4) Uani d . . . 1 . .
H H10A 0.1785 0.6643 0.4812 0.029 Uiso calc U . R 1 . .
H H10B 0.1907 0.6116 0.5338 0.029 Uiso calc U . R 1 . .
H H10C 0.0632 0.5911 0.4975 0.029 Uiso calc U . R 1 . .
C C11 0.2054(3) 0.43585(17) 0.49712(10) 0.0217(5) Uani d . . . 1 . .
H H11A 0.1091 0.4212 0.4895 0.033 Uiso calc U . R 1 . .
H H11B 0.2177 0.4392 0.5335 0.033 Uiso calc U . R 1 . .
H H11C 0.2652 0.3875 0.4834 0.033 Uiso calc U . R 1 . .
C C12 0.7240(2) 0.57933(17) 0.42314(8) 0.0133(3) Uani d . . . 1 . .
H H12 0.6855 0.5988 0.39 0.016 Uiso calc U . R 1 . .
C C13 0.8013(2) 0.66072(17) 0.44635(9) 0.0184(4) Uani d . . . 1 . .
H H13A 0.8807 0.6765 0.4253 0.028 Uiso calc U . R 1 . .
H H13B 0.8333 0.6437 0.4799 0.028 Uiso calc U . R 1 . .
H H13C 0.7397 0.7142 0.4487 0.028 Uiso calc U . R 1 . .
C C14 0.8244(2) 0.49891(18) 0.41501(10) 0.0204(4) Uani d . . . 1 . .
H H14A 0.774 0.4451 0.4022 0.031 Uiso calc U . R 1 . .
H H14B 0.8685 0.483 0.4469 0.031 Uiso calc U . R 1 . .
H H14C 0.8949 0.5172 0.3907 0.031 Uiso calc U . R 1 . .
C C15 0.2708(3) 0.3077(2) 0.70814(10) 0.0269(5) Uani d . . . 1 . .
H H15A 0.2168 0.3638 0.7018 0.04 Uiso calc U . R 1 . .
H H15B 0.3136 0.3119 0.7413 0.04 Uiso calc U . R 1 . .
H H15C 0.2102 0.2536 0.7069 0.04 Uiso calc U . R 1 . .
C C16 0.5162(4) 0.19504(19) 0.67729(12) 0.0333(6) Uani d . . . 1 . .
H H16A 0.4582 0.1397 0.6795 0.05 Uiso calc U . R 1 . .
H H16B 0.5593 0.2068 0.7099 0.05 Uiso calc U . R 1 . .
H H16C 0.5879 0.1854 0.652 0.05 Uiso calc U . R 1 . .
C C17 0.3267(3) 0.2726(2) 0.59786(10) 0.0285(6) Uani d . . . 1 . .
H H17A 0.2822 0.3289 0.5854 0.043 Uiso calc U . R 1 . .
H H17B 0.2575 0.2237 0.6017 0.043 Uiso calc U . R 1 . .
H H17C 0.3971 0.2525 0.5739 0.043 Uiso calc U . R 1 . .
C C18 0.5724(3) 0.4097(2) 0.76220(8) 0.0240(5) Uani d . . . 1 . .
H H18A 0.4875 0.4458 0.7659 0.036 Uiso calc U . R 1 . .
H H18B 0.6407 0.4312 0.7866 0.036 Uiso calc U . R 1 . .
H H18C 0.5525 0.3442 0.7681 0.036 Uiso calc U . R 1 . .
C C19 0.8013(3) 0.3521(2) 0.69282(10) 0.0243(5) Uani d . . . 1 . .
H H19A 0.8413 0.3586 0.6593 0.036 Uiso calc U . R 1 . .
H H19B 0.7776 0.2872 0.6988 0.036 Uiso calc U . R 1 . .
H H19C 0.8682 0.3727 0.718 0.036 Uiso calc U . R 1 . .
C C20 0.6874(3) 0.54896(18) 0.68744(10) 0.0244(5) Uani d . . . 1 . .
H H20A 0.6997 0.5607 0.6516 0.037 Uiso calc U . R 1 . .
H H20B 0.7732 0.5631 0.7052 0.037 Uiso calc U . R 1 . .
H H20C 0.6132 0.5882 0.7004 0.037 Uiso calc U . R 1 . .
C C22 0.2878(3) 0.47065(19) 0.30759(10) 0.0241(5) Uani d . . . 1 . .
H H22A 0.2932 0.5265 0.2869 0.036 Uiso calc U . R 1 . .
H H22B 0.2029 0.472 0.3274 0.036 Uiso calc U . R 1 . .
H H22C 0.2876 0.4159 0.286 0.036 Uiso calc U . R 1 . .
C C21 0.4353(3) 0.35831(17) 0.38863(10) 0.0236(5) Uani d . . . 1 . .
H H21A 0.4581 0.3052 0.3674 0.035 Uiso calc U . R 1 . .
H H21B 0.343 0.3501 0.4027 0.035 Uiso calc U . R 1 . .
H H21C 0.5026 0.363 0.4159 0.035 Uiso calc U . R 1 . .
C C23 0.5937(3) 0.4618(2) 0.30838(10) 0.0270(5) Uani d . . . 1 . .
H H23A 0.5857 0.4088 0.2857 0.041 Uiso calc U . R 1 . .
H H23B 0.6773 0.4554 0.3287 0.041 Uiso calc U . R 1 . .
H H23C 0.5988 0.519 0.2888 0.041 Uiso calc U . R 1 . .
C C24 0.1920(2) 0.68257(17) 0.36232(9) 0.0192(4) Uani d . . . 1 . .
H H24A 0.1688 0.7449 0.3506 0.029 Uiso calc U . R 1 . .
H H24B 0.1446 0.6703 0.394 0.029 Uiso calc U . R 1 . .
H H24C 0.1629 0.6371 0.3372 0.029 Uiso calc U . R 1 . .
C C25 0.4724(3) 0.70530(17) 0.31235(8) 0.0208(4) Uani d . . . 1 . .
H H25A 0.4435 0.6631 0.2856 0.031 Uiso calc U . R 1 . .
H H25B 0.5722 0.7004 0.3171 0.031 Uiso calc U . R 1 . .
H H25C 0.4486 0.7689 0.3031 0.031 Uiso calc U . R 1 . .
C C26 0.4341(2) 0.75861(16) 0.42098(9) 0.0184(4) Uani d . . . 1 . .
H H26A 0.5348 0.7616 0.4228 0.028 Uiso calc U . R 1 . .
H H26B 0.3972 0.7391 0.4535 0.028 Uiso calc U . R 1 . .
H H26C 0.3974 0.8198 0.4124 0.028 Uiso calc U . R 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn01 N2 . 2.173(2) ?
Sn01 N4 . 2.179(2) ?
Sn01 N5 . 2.434(2) ?
Sn01 N1 . 2.441(2) ?
C1 N1 . 1.329(3) ?
C1 N2 . 1.338(3) ?
C1 N3 . 1.432(3) ?
Si1 N3 . 1.752(2) ?
Si1 C17 . 1.852(3) ?
Si1 C16 . 1.864(3) ?
Si1 C15 . 1.873(3) ?
N1 C3 . 1.460(3) ?
Si2 N3 . 1.760(2) ?
Si2 C20 . 1.867(3) ?
Si2 C18 . 1.871(3) ?
Si2 C19 . 1.875(3) ?
C2 N5 . 1.324(3) ?
C2 N4 . 1.343(3) ?
C2 N6 . 1.428(3) ?
N2 C6 . 1.459(3) ?
Si3 N6 . 1.770(2) ?
Si3 C26 . 1.863(2) ?
Si3 C24 . 1.870(3) ?
Si3 C25 . 1.872(3) ?
C3 C4 . 1.531(4) ?
C3 C5 . 1.539(4) ?
C3 H3 . 1.0 ?
N4 C9 . 1.460(3) ?
C4 H4A . 0.98 ?
C4 H4B . 0.98 ?
C4 H4C . 0.98 ?
Si4 N6 . 1.750(2) ?
Si4 C21 . 1.861(3) ?
Si4 C22 . 1.868(3) ?
Si4 C23 . 1.871(3) ?
N5 C12 . 1.463(3) ?
C5 H5A . 0.98 ?
C5 H5B . 0.98 ?
C5 H5C . 0.98 ?
C9 C10 . 1.521(3) ?
C9 C11 . 1.528(3) ?
C9 H9 . 1.0 ?
C8 C6 . 1.524(4) ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C7 C6 . 1.536(4) ?
C7 H7A . 0.98 ?
C7 H7B . 0.98 ?
C7 H7C . 0.98 ?
C6 H6 . 1.0 ?
C10 H10A . 0.98 ?
C10 H10B . 0.98 ?
C10 H10C . 0.98 ?
C11 H11A . 0.98 ?
C11 H11B . 0.98 ?
C11 H11C . 0.98 ?
C12 C13 . 1.527(3) ?
C12 C14 . 1.533(3) ?
C12 H12 . 1.0 ?
C13 H13A . 0.98 ?
C13 H13B . 0.98 ?
C13 H13C . 0.98 ?
C14 H14A . 0.98 ?
C14 H14B . 0.98 ?
C14 H14C . 0.98 ?
C15 H15A . 0.98 ?
C15 H15B . 0.98 ?
C15 H15C . 0.98 ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C18 H18A . 0.98 ?
C18 H18B . 0.98 ?
C18 H18C . 0.98 ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C20 H20A . 0.98 ?
C20 H20B . 0.98 ?
C20 H20C . 0.98 ?
C22 H22A . 0.98 ?
C22 H22B . 0.98 ?
C22 H22C . 0.98 ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C23 H23A . 0.98 ?
C23 H23B . 0.98 ?
C23 H23C . 0.98 ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C26 H26A . 0.98 ?
C26 H26B . 0.98 ?
C26 H26C . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N2 Sn01 N4 . . 101.56(8) ?
N2 Sn01 N5 . . 96.01(7) ?
N4 Sn01 N5 . . 57.43(8) ?
N2 Sn01 N1 . . 57.45(7) ?
N4 Sn01 N1 . . 96.49(8) ?
N5 Sn01 N1 . . 140.31(7) ?
N1 C1 N2 . . 113.43(19) ?
N1 C1 N3 . . 124.39(18) ?
N2 C1 N3 . . 122.14(19) ?
N3 Si1 C17 . . 108.99(11) ?
N3 Si1 C16 . . 109.01(13) ?
C17 Si1 C16 . . 108.88(14) ?
N3 Si1 C15 . . 113.79(11) ?
C17 Si1 C15 . . 109.19(15) ?
C16 Si1 C15 . . 106.87(15) ?
C1 N1 C3 . . 121.97(18) ?
C1 N1 Sn01 . . 87.44(13) ?
C3 N1 Sn01 . . 139.82(15) ?
N3 Si2 C20 . . 108.46(10) ?
N3 Si2 C18 . . 109.08(11) ?
C20 Si2 C18 . . 109.20(13) ?
N3 Si2 C19 . . 113.51(11) ?
C20 Si2 C19 . . 109.54(14) ?
C18 Si2 C19 . . 106.97(12) ?
N5 C2 N4 . . 113.25(18) ?
N5 C2 N6 . . 124.77(18) ?
N4 C2 N6 . . 121.90(19) ?
C1 N2 C6 . . 124.94(19) ?
C1 N2 Sn01 . . 99.09(14) ?
C6 N2 Sn01 . . 135.48(15) ?
C1 N3 Si1 . . 118.34(14) ?
C1 N3 Si2 . . 117.44(14) ?
Si1 N3 Si2 . . 124.21(10) ?
N6 Si3 C26 . . 109.04(10) ?
N6 Si3 C24 . . 113.09(10) ?
C26 Si3 C24 . . 108.54(11) ?
N6 Si3 C25 . . 108.82(10) ?
C26 Si3 C25 . . 108.10(12) ?
C24 Si3 C25 . . 109.15(12) ?
N1 C3 C4 . . 109.9(2) ?
N1 C3 C5 . . 110.9(2) ?
C4 C3 C5 . . 109.3(2) ?
N1 C3 H3 . . 108.9 ?
C4 C3 H3 . . 108.9 ?
C5 C3 H3 . . 108.9 ?
C2 N4 C9 . . 124.77(18) ?
C2 N4 Sn01 . . 98.49(14) ?
C9 N4 Sn01 . . 136.20(14) ?
C3 C4 H4A . . 109.5 ?
C3 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C3 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
N6 Si4 C21 . . 109.15(12) ?
N6 Si4 C22 . . 109.22(11) ?
C21 Si4 C22 . . 110.31(13) ?
N6 Si4 C23 . . 114.08(11) ?
C21 Si4 C23 . . 108.67(14) ?
C22 Si4 C23 . . 105.33(14) ?
C2 N5 C12 . . 122.64(18) ?
C2 N5 Sn01 . . 87.65(12) ?
C12 N5 Sn01 . . 137.99(14) ?
C3 C5 H5A . . 109.5 ?
C3 C5 H5B . . 109.5 ?
H5A C5 H5B . . 109.5 ?
C3 C5 H5C . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
N4 C9 C10 . . 110.06(18) ?
N4 C9 C11 . . 109.87(18) ?
C10 C9 C11 . . 109.79(19) ?
N4 C9 H9 . . 109.0 ?
C10 C9 H9 . . 109.0 ?
C11 C9 H9 . . 109.0 ?
C6 C8 H8A . . 109.5 ?
C6 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C6 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C6 C7 H7A . . 109.5 ?
C6 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C6 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C2 N6 Si4 . . 119.35(14) ?
C2 N6 Si3 . . 116.63(13) ?
Si4 N6 Si3 . . 124.01(11) ?
N2 C6 C8 . . 110.0(2) ?
N2 C6 C7 . . 110.1(2) ?
C8 C6 C7 . . 110.5(2) ?
N2 C6 H6 . . 108.7 ?
C8 C6 H6 . . 108.7 ?
C7 C6 H6 . . 108.7 ?
C9 C10 H10A . . 109.5 ?
C9 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C9 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C9 C11 H11A . . 109.5 ?
C9 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
C9 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
N5 C12 C13 . . 109.79(18) ?
N5 C12 C14 . . 110.78(19) ?
C13 C12 C14 . . 109.20(19) ?
N5 C12 H12 . . 109.0 ?
C13 C12 H12 . . 109.0 ?
C14 C12 H12 . . 109.0 ?
C12 C13 H13A . . 109.5 ?
C12 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C12 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C12 C14 H14A . . 109.5 ?
C12 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C12 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
Si1 C15 H15A . . 109.5 ?
Si1 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
Si1 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
Si1 C16 H16A . . 109.5 ?
Si1 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
Si1 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
Si1 C17 H17A . . 109.5 ?
Si1 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
Si1 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
Si2 C18 H18A . . 109.5 ?
Si2 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
Si2 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
Si2 C19 H19A . . 109.5 ?
Si2 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
Si2 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
Si2 C20 H20A . . 109.5 ?
Si2 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
Si2 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
Si4 C22 H22A . . 109.5 ?
Si4 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
Si4 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
Si4 C21 H21A . . 109.5 ?
Si4 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
Si4 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
Si4 C23 H23A . . 109.5 ?
Si4 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
Si4 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
Si3 C24 H24A . . 109.5 ?
Si3 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
Si3 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
Si3 C25 H25A . . 109.5 ?
Si3 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
Si3 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
Si3 C26 H26A . . 109.5 ?
Si3 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
Si3 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N2 C1 N1 C3 . . . . -165.3(2) ?
N3 C1 N1 C3 . . . . 12.5(3) ?
N2 C1 N1 Sn01 . . . . -14.42(17) ?
N3 C1 N1 Sn01 . . . . 163.41(18) ?
N1 C1 N2 C6 . . . . -170.5(2) ?
N3 C1 N2 C6 . . . . 11.6(3) ?
N1 C1 N2 Sn01 . . . . 16.4(2) ?
N3 C1 N2 Sn01 . . . . -161.45(16) ?
N1 C1 N3 Si1 . . . . 78.9(2) ?
N2 C1 N3 Si1 . . . . -103.4(2) ?
N1 C1 N3 Si2 . . . . -100.6(2) ?
N2 C1 N3 Si2 . . . . 77.0(2) ?
C17 Si1 N3 C1 . . . . 16.79(19) ?
C16 Si1 N3 C1 . . . . 135.52(17) ?
C15 Si1 N3 C1 . . . . -105.32(18) ?
C17 Si1 N3 Si2 . . . . -163.71(14) ?
C16 Si1 N3 Si2 . . . . -44.99(17) ?
C15 Si1 N3 Si2 . . . . 74.18(17) ?
C20 Si2 N3 C1 . . . . 17.11(19) ?
C18 Si2 N3 C1 . . . . 135.96(17) ?
C19 Si2 N3 C1 . . . . -104.88(18) ?
C20 Si2 N3 Si1 . . . . -162.39(13) ?
C18 Si2 N3 Si1 . . . . -43.54(17) ?
C19 Si2 N3 Si1 . . . . 75.62(16) ?
C1 N1 C3 C4 . . . . 121.9(2) ?
Sn01 N1 C3 C4 . . . . -9.2(3) ?
C1 N1 C3 C5 . . . . -117.1(2) ?
Sn01 N1 C3 C5 . . . . 111.8(2) ?
N5 C2 N4 C9 . . . . -169.20(19) ?
N6 C2 N4 C9 . . . . 13.8(3) ?
N5 C2 N4 Sn01 . . . . 18.11(19) ?
N6 C2 N4 Sn01 . . . . -158.86(15) ?
N4 C2 N5 C12 . . . . -164.95(18) ?
N6 C2 N5 C12 . . . . 11.9(3) ?
N4 C2 N5 Sn01 . . . . -15.98(17) ?
N6 C2 N5 Sn01 . . . . 160.88(18) ?
C2 N4 C9 C10 . . . . -123.8(2) ?
Sn01 N4 C9 C10 . . . . 45.7(3) ?
C2 N4 C9 C11 . . . . 115.2(2) ?
Sn01 N4 C9 C11 . . . . -75.3(3) ?
N5 C2 N6 Si4 . . . . 80.5(2) ?
N4 C2 N6 Si4 . . . . -102.9(2) ?
N5 C2 N6 Si3 . . . . -98.6(2) ?
N4 C2 N6 Si3 . . . . 78.0(2) ?
C21 Si4 N6 C2 . . . . 22.75(19) ?
C22 Si4 N6 C2 . . . . 143.44(17) ?
C23 Si4 N6 C2 . . . . -99.01(19) ?
C21 Si4 N6 Si3 . . . . -158.20(13) ?
C22 Si4 N6 Si3 . . . . -37.52(16) ?
C23 Si4 N6 Si3 . . . . 80.04(16) ?
C26 Si3 N6 C2 . . . . 12.44(18) ?
C24 Si3 N6 C2 . . . . -108.41(17) ?
C25 Si3 N6 C2 . . . . 130.13(17) ?
C26 Si3 N6 Si4 . . . . -166.63(12) ?
C24 Si3 N6 Si4 . . . . 72.53(15) ?
C25 Si3 N6 Si4 . . . . -48.94(16) ?
C1 N2 C6 C8 . . . . 117.5(2) ?
Sn01 N2 C6 C8 . . . . -72.3(3) ?
C1 N2 C6 C7 . . . . -120.5(2) ?
Sn01 N2 C6 C7 . . . . 49.7(3) ?
C2 N5 C12 C13 . . . . 120.9(2) ?
Sn01 N5 C12 C13 . . . . -8.8(3) ?
C2 N5 C12 C14 . . . . -118.4(2) ?
Sn01 N5 C12 C14 . . . . 111.9(2) ?


_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_kptu_SnTMSiPr_OBn_02
_database_code_depnum_ccdc_archive 'CCDC 1840137'
loop_
_audit_author_name
_audit_author_address
'Thasanaporn Ungpittagul'
;Vidyasirimedhi Institute of Science and Technology, Wangchan, Rayong 21210, Thailand
Thailand
;
_audit_update_record             
;
2018-04-27 deposited with the CCDC.	2020-04-14 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C40 H78 N6 O2 Si4 Sn2'
_chemical_formula_sum            'C40 H78 N6 O2 Si4 Sn2'
_chemical_formula_iupac          ?
_chemical_formula_weight         1024.86

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.9288(9)
_cell_length_b                   17.5771(14)
_cell_length_c                   14.6517(12)
_cell_angle_alpha                90
_cell_angle_beta                 92.141(3)
_cell_angle_gamma                90
_cell_volume                     2555.2(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9714
_cell_measurement_theta_min      2.3572
_cell_measurement_theta_max      25.0510
_cell_measurement_temperature    105.(2)

_exptl_crystal_description       Square
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_size_max          0.09952
_exptl_crystal_size_mid          0.06030
_exptl_crystal_size_min          0.04567
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064

_exptl_absorpt_coefficient_mu    1.108
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.6692
_exptl_absorpt_correction_T_max  0.7452

_exptl_special_details           
;
;

_diffrn_ambient_temperature      105.(2)

_diffrn_source                   'microfocus sealed x-ray tube'
_diffrn_source_type              'Incoatec I\mus'

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker D8 venture'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            67339
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_unetI/netI     0.0155
_diffrn_reflns_theta_min         2.32
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_full        25.08
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17

_refine_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_number_total             4531
_reflns_number_gt                4080
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0233
_refine_ls_R_factor_gt           0.0186
_refine_ls_wR_factor_gt          0.0436
_refine_ls_wR_factor_ref         0.0455
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_refine_ls_number_reflns         4531
_refine_ls_number_parameters     254
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0208P)²+1.7081P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.564
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Si Si 0.0817 0.0704 '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'

_computing_data_collection       'APEX3 v2015.5-2 (Bruker AXS Inc., 2015)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'XT, VERSION 2014/4'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 717)'
_computing_publication_material  'Bruker SHELXL (Bruker AXS Inc., 2015)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.47654(2) 0.60248(2) 0.49046(2) 0.01318(5) Uani d . . . 1 . .
Si Si1 0.75587(5) 0.72330(3) 0.21762(3) 0.01616(11) Uani d . . . 1 . .
Si Si2 0.74830(5) 0.81460(3) 0.39876(3) 0.01609(11) Uani d . . . 1 . .
N N2 0.66634(15) 0.62560(8) 0.42566(10) 0.0134(3) Uani d . . . 1 . .
O O1 0.43159(13) 0.50272(7) 0.41708(8) 0.0153(3) Uani d . . . 1 . .
N N1 0.48597(15) 0.67705(8) 0.35783(10) 0.0143(3) Uani d . . . 1 . .
C C1 0.4629(2) 0.49489(11) 0.32378(12) 0.0178(4) Uani d . . . 1 . .
H H1 0.5108 0.4461 0.3158 0.021 Uiso calc U . R 1 . .
H H2 0.525 0.5364 0.3075 0.021 Uiso calc U . R 1 . .
C C2 0.3413(2) 0.49689(10) 0.25875(13) 0.0195(4) Uani d . . . 1 . .
C C3 0.2145(2) 0.51887(12) 0.28546(15) 0.0251(5) Uani d . . . 1 . .
H H3 0.2018 0.5332 0.3471 0.03 Uiso calc U . R 1 . .
N N3 0.70286(15) 0.73576(8) 0.32990(10) 0.0138(3) Uani d . . . 1 . .
C C4 0.1057(2) 0.52011(14) 0.22270(17) 0.0365(6) Uani d . . . 1 . .
H H4 0.0193 0.5352 0.2418 0.044 Uiso calc U . R 1 . .
C C5 0.1226(3) 0.49955(14) 0.13310(18) 0.0444(7) Uani d . . . 1 . .
H H5 0.0478 0.4996 0.0908 0.053 Uiso calc U . R 1 . .
C C6 0.2483(3) 0.47889(15) 0.10510(17) 0.0448(7) Uani d . . . 1 . .
H H6 0.2604 0.4656 0.0431 0.054 Uiso calc U . R 1 . .
C C7 0.3575(3) 0.47743(12) 0.16745(15) 0.0318(5) Uani d . . . 1 . .
H H7 0.4439 0.4631 0.1477 0.038 Uiso calc U . R 1 . .
C C8 0.40502(18) 0.73734(11) 0.31324(13) 0.0181(4) Uani d . . . 1 . .
H H11 0.4639 0.7824 0.3027 0.022 Uiso calc U . R 1 . .
C C9 0.3452(2) 0.70959(12) 0.22166(14) 0.0250(5) Uani d . . . 1 . .
H H10 0.2876 0.6653 0.2316 0.038 Uiso calc U . R 1 . .
H H9 0.4181 0.6953 0.1818 0.038 Uiso calc U . R 1 . .
H H8 0.2914 0.7504 0.1928 0.038 Uiso calc U . R 1 . .
C C10 0.2917(2) 0.76061(12) 0.37480(15) 0.0282(5) Uani d . . . 1 . .
H H12 0.2328 0.7168 0.3845 0.042 Uiso calc U . R 1 . .
H H14 0.2393 0.8018 0.3458 0.042 Uiso calc U . R 1 . .
H H13 0.3302 0.7781 0.4337 0.042 Uiso calc U . R 1 . .
C C11 0.61857(18) 0.67999(10) 0.36888(12) 0.0128(4) Uani d . . . 1 . .
C C12 0.6711(2) 0.79090(12) 0.13583(14) 0.0254(5) Uani d . . . 1 . .
H H17 0.574 0.7911 0.1454 0.038 Uiso calc U . R 1 . .
H H15 0.6875 0.7749 0.0731 0.038 Uiso calc U . R 1 . .
H H16 0.7074 0.8422 0.146 0.038 Uiso calc U . R 1 . .
C C13 0.7164(2) 0.62419(11) 0.18042(14) 0.0253(5) Uani d . . . 1 . .
H H20 0.7596 0.5882 0.2234 0.038 Uiso calc U . R 1 . .
H H18 0.7501 0.6158 0.1192 0.038 Uiso calc U . R 1 . .
H H19 0.6186 0.6165 0.1791 0.038 Uiso calc U . R 1 . .
C C14 0.9420(2) 0.73880(13) 0.21581(14) 0.0264(5) Uani d . . . 1 . .
H H21 0.9875 0.7047 0.26 0.04 Uiso calc U . R 1 . .
H H23 0.9627 0.7917 0.232 0.04 Uiso calc U . R 1 . .
H H22 0.9734 0.7281 0.1545 0.04 Uiso calc U . R 1 . .
C C15 0.7281(2) 0.90374(11) 0.33046(15) 0.0265(5) Uani d . . . 1 . .
H H26 0.6361 0.9065 0.304 0.04 Uiso calc U . R 1 . .
H H24 0.7924 0.9037 0.2813 0.04 Uiso calc U . R 1 . .
H H25 0.7453 0.9478 0.3701 0.04 Uiso calc U . R 1 . .
C C16 0.6337(2) 0.81792(12) 0.49625(14) 0.0245(4) Uani d . . . 1 . .
H H28 0.6344 0.7685 0.5272 0.037 Uiso calc U . R 1 . .
H H29 0.5419 0.8296 0.4735 0.037 Uiso calc U . R 1 . .
H H27 0.6643 0.8575 0.5394 0.037 Uiso calc U . R 1 . .
C C17 0.9272(2) 0.81195(12) 0.44336(14) 0.0249(4) Uani d . . . 1 . .
H H32 0.9438 0.7641 0.4763 0.037 Uiso calc U . R 1 . .
H H30 0.9437 0.8549 0.4849 0.037 Uiso calc U . R 1 . .
H H31 0.9877 0.8154 0.3922 0.037 Uiso calc U . R 1 . .
C C18 0.80919(18) 0.60814(10) 0.44195(13) 0.0153(4) Uani d . . . 1 . .
H H33 0.8635 0.6417 0.4023 0.018 Uiso calc U . R 1 . .
C C19 0.8502(2) 0.62341(11) 0.54150(13) 0.0213(4) Uani d . . . 1 . .
H H36 0.7957 0.5919 0.5811 0.032 Uiso calc U . R 1 . .
H H35 0.8356 0.6772 0.5554 0.032 Uiso calc U . R 1 . .
H H34 0.9457 0.6109 0.552 0.032 Uiso calc U . R 1 . .
C C20 0.83643(19) 0.52528(11) 0.41736(14) 0.0210(4) Uani d . . . 1 . .
H H39 0.7875 0.4918 0.4581 0.032 Uiso calc U . R 1 . .
H H38 0.9333 0.515 0.4243 0.032 Uiso calc U . R 1 . .
H H37 0.806 0.5159 0.354 0.032 Uiso calc U . R 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 O1 . 2.0961(12) ?
Sn1 N2 . 2.1798(15) ?
Sn1 N1 . 2.3488(15) ?
Sn1 O1 3_666 2.4483(12) ?
Si1 N3 . 1.7596(15) ?
Si1 C13 . 1.863(2) ?
Si1 C12 . 1.866(2) ?
Si1 C14 . 1.869(2) ?
Si2 N3 . 1.7629(16) ?
Si2 C16 . 1.860(2) ?
Si2 C15 . 1.866(2) ?
Si2 C17 . 1.870(2) ?
N2 C11 . 1.342(2) ?
N2 C18 . 1.462(2) ?
O1 C1 . 1.420(2) ?
O1 Sn1 3_666 2.4483(12) ?
N1 C11 . 1.321(2) ?
N1 C8 . 1.469(2) ?
C1 C2 . 1.510(3) ?
C1 H1 . 0.99 ?
C1 H2 . 0.99 ?
C2 C3 . 1.388(3) ?
C2 C7 . 1.396(3) ?
C3 C4 . 1.392(3) ?
C3 H3 . 0.95 ?
N3 C11 . 1.422(2) ?
C4 C5 . 1.378(4) ?
C4 H4 . 0.95 ?
C5 C6 . 1.376(4) ?
C5 H5 . 0.95 ?
C6 C7 . 1.392(3) ?
C6 H6 . 0.95 ?
C7 H7 . 0.95 ?
C8 C10 . 1.524(3) ?
C8 C9 . 1.527(3) ?
C8 H11 . 1.0 ?
C9 H10 . 0.98 ?
C9 H9 . 0.98 ?
C9 H8 . 0.98 ?
C10 H12 . 0.98 ?
C10 H14 . 0.98 ?
C10 H13 . 0.98 ?
C12 H17 . 0.98 ?
C12 H15 . 0.98 ?
C12 H16 . 0.98 ?
C13 H20 . 0.98 ?
C13 H18 . 0.98 ?
C13 H19 . 0.98 ?
C14 H21 . 0.98 ?
C14 H23 . 0.98 ?
C14 H22 . 0.98 ?
C15 H26 . 0.98 ?
C15 H24 . 0.98 ?
C15 H25 . 0.98 ?
C16 H28 . 0.98 ?
C16 H29 . 0.98 ?
C16 H27 . 0.98 ?
C17 H32 . 0.98 ?
C17 H30 . 0.98 ?
C17 H31 . 0.98 ?
C18 C19 . 1.523(3) ?
C18 C20 . 1.527(3) ?
C18 H33 . 1.0 ?
C19 H36 . 0.98 ?
C19 H35 . 0.98 ?
C19 H34 . 0.98 ?
C20 H39 . 0.98 ?
C20 H38 . 0.98 ?
C20 H37 . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Sn1 N2 . . 95.94(5) ?
O1 Sn1 N1 . . 93.25(5) ?
N2 Sn1 N1 . . 58.25(5) ?
O1 Sn1 O1 . 3_666 73.73(5) ?
N2 Sn1 O1 . 3_666 94.10(5) ?
N1 Sn1 O1 . 3_666 148.62(5) ?
N3 Si1 C13 . . 108.84(8) ?
N3 Si1 C12 . . 112.20(9) ?
C13 Si1 C12 . . 108.83(10) ?
N3 Si1 C14 . . 109.00(9) ?
C13 Si1 C14 . . 109.25(10) ?
C12 Si1 C14 . . 108.69(9) ?
N3 Si2 C16 . . 108.26(8) ?
N3 Si2 C15 . . 109.46(9) ?
C16 Si2 C15 . . 109.21(10) ?
N3 Si2 C17 . . 113.57(8) ?
C16 Si2 C17 . . 109.44(10) ?
C15 Si2 C17 . . 106.85(10) ?
C11 N2 C18 . . 124.67(15) ?
C11 N2 Sn1 . . 96.40(11) ?
C18 N2 Sn1 . . 137.65(12) ?
C1 O1 Sn1 . . 121.66(10) ?
C1 O1 Sn1 . 3_666 111.66(10) ?
Sn1 O1 Sn1 . 3_666 106.27(5) ?
C11 N1 C8 . . 123.54(15) ?
C11 N1 Sn1 . . 89.47(10) ?
C8 N1 Sn1 . . 137.12(12) ?
O1 C1 C2 . . 114.01(16) ?
O1 C1 H1 . . 108.8 ?
C2 C1 H1 . . 108.8 ?
O1 C1 H2 . . 108.8 ?
C2 C1 H2 . . 108.8 ?
H1 C1 H2 . . 107.6 ?
C3 C2 C7 . . 118.48(19) ?
C3 C2 C1 . . 122.75(18) ?
C7 C2 C1 . . 118.76(19) ?
C2 C3 C4 . . 120.5(2) ?
C2 C3 H3 . . 119.7 ?
C4 C3 H3 . . 119.7 ?
C11 N3 Si1 . . 119.39(12) ?
C11 N3 Si2 . . 116.99(12) ?
Si1 N3 Si2 . . 123.62(9) ?
C5 C4 C3 . . 120.4(2) ?
C5 C4 H4 . . 119.8 ?
C3 C4 H4 . . 119.8 ?
C6 C5 C4 . . 119.8(2) ?
C6 C5 H5 . . 120.1 ?
C4 C5 H5 . . 120.1 ?
C5 C6 C7 . . 120.1(2) ?
C5 C6 H6 . . 119.9 ?
C7 C6 H6 . . 119.9 ?
C6 C7 C2 . . 120.6(2) ?
C6 C7 H7 . . 119.7 ?
C2 C7 H7 . . 119.7 ?
N1 C8 C10 . . 109.51(15) ?
N1 C8 C9 . . 110.42(16) ?
C10 C8 C9 . . 109.53(16) ?
N1 C8 H11 . . 109.1 ?
C10 C8 H11 . . 109.1 ?
C9 C8 H11 . . 109.1 ?
C8 C9 H10 . . 109.5 ?
C8 C9 H9 . . 109.5 ?
H10 C9 H9 . . 109.5 ?
C8 C9 H8 . . 109.5 ?
H10 C9 H8 . . 109.5 ?
H9 C9 H8 . . 109.5 ?
C8 C10 H12 . . 109.5 ?
C8 C10 H14 . . 109.5 ?
H12 C10 H14 . . 109.5 ?
C8 C10 H13 . . 109.5 ?
H12 C10 H13 . . 109.5 ?
H14 C10 H13 . . 109.5 ?
N1 C11 N2 . . 112.06(15) ?
N1 C11 N3 . . 125.18(16) ?
N2 C11 N3 . . 122.69(15) ?
Si1 C12 H17 . . 109.5 ?
Si1 C12 H15 . . 109.5 ?
H17 C12 H15 . . 109.5 ?
Si1 C12 H16 . . 109.5 ?
H17 C12 H16 . . 109.5 ?
H15 C12 H16 . . 109.5 ?
Si1 C13 H20 . . 109.5 ?
Si1 C13 H18 . . 109.5 ?
H20 C13 H18 . . 109.5 ?
Si1 C13 H19 . . 109.5 ?
H20 C13 H19 . . 109.5 ?
H18 C13 H19 . . 109.5 ?
Si1 C14 H21 . . 109.5 ?
Si1 C14 H23 . . 109.5 ?
H21 C14 H23 . . 109.5 ?
Si1 C14 H22 . . 109.5 ?
H21 C14 H22 . . 109.5 ?
H23 C14 H22 . . 109.5 ?
Si2 C15 H26 . . 109.5 ?
Si2 C15 H24 . . 109.5 ?
H26 C15 H24 . . 109.5 ?
Si2 C15 H25 . . 109.5 ?
H26 C15 H25 . . 109.5 ?
H24 C15 H25 . . 109.5 ?
Si2 C16 H28 . . 109.5 ?
Si2 C16 H29 . . 109.5 ?
H28 C16 H29 . . 109.5 ?
Si2 C16 H27 . . 109.5 ?
H28 C16 H27 . . 109.5 ?
H29 C16 H27 . . 109.5 ?
Si2 C17 H32 . . 109.5 ?
Si2 C17 H30 . . 109.5 ?
H32 C17 H30 . . 109.5 ?
Si2 C17 H31 . . 109.5 ?
H32 C17 H31 . . 109.5 ?
H30 C17 H31 . . 109.5 ?
N2 C18 C19 . . 110.01(15) ?
N2 C18 C20 . . 109.94(15) ?
C19 C18 C20 . . 110.52(15) ?
N2 C18 H33 . . 108.8 ?
C19 C18 H33 . . 108.8 ?
C20 C18 H33 . . 108.8 ?
C18 C19 H36 . . 109.5 ?
C18 C19 H35 . . 109.5 ?
H36 C19 H35 . . 109.5 ?
C18 C19 H34 . . 109.5 ?
H36 C19 H34 . . 109.5 ?
H35 C19 H34 . . 109.5 ?
C18 C20 H39 . . 109.5 ?
C18 C20 H38 . . 109.5 ?
H39 C20 H38 . . 109.5 ?
C18 C20 H37 . . 109.5 ?
H39 C20 H37 . . 109.5 ?
H38 C20 H37 . . 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Sn1 O1 C1 C2 . . . . -108.02(15) ?
Sn1 O1 C1 C2 3_666 . . . 125.17(13) ?
O1 C1 C2 C3 . . . . 11.8(3) ?
O1 C1 C2 C7 . . . . -169.70(17) ?
C7 C2 C3 C4 . . . . 1.1(3) ?
C1 C2 C3 C4 . . . . 179.67(18) ?
C13 Si1 N3 C11 . . . . -12.19(16) ?
C12 Si1 N3 C11 . . . . 108.31(14) ?
C14 Si1 N3 C11 . . . . -131.26(14) ?
C13 Si1 N3 Si2 . . . . 167.85(10) ?
C12 Si1 N3 Si2 . . . . -71.66(12) ?
C14 Si1 N3 Si2 . . . . 48.78(13) ?
C16 Si2 N3 C11 . . . . -15.65(15) ?
C15 Si2 N3 C11 . . . . -134.60(13) ?
C17 Si2 N3 C11 . . . . 106.10(14) ?
C16 Si2 N3 Si1 . . . . 164.31(10) ?
C15 Si2 N3 Si1 . . . . 45.37(13) ?
C17 Si2 N3 Si1 . . . . -73.94(12) ?
C2 C3 C4 C5 . . . . -0.1(3) ?
C3 C4 C5 C6 . . . . -1.1(4) ?
C4 C5 C6 C7 . . . . 1.1(4) ?
C5 C6 C7 C2 . . . . -0.1(4) ?
C3 C2 C7 C6 . . . . -1.0(3) ?
C1 C2 C7 C6 . . . . -179.7(2) ?
C11 N1 C8 C10 . . . . -128.25(19) ?
Sn1 N1 C8 C10 . . . . 6.0(3) ?
C11 N1 C8 C9 . . . . 111.05(19) ?
Sn1 N1 C8 C9 . . . . -114.73(17) ?
C8 N1 C11 N2 . . . . 168.54(16) ?
Sn1 N1 C11 N2 . . . . 17.74(14) ?
C8 N1 C11 N3 . . . . -8.5(3) ?
Sn1 N1 C11 N3 . . . . -159.27(16) ?
C18 N2 C11 N1 . . . . 171.66(16) ?
Sn1 N2 C11 N1 . . . . -19.29(16) ?
C18 N2 C11 N3 . . . . -11.3(3) ?
Sn1 N2 C11 N3 . . . . 157.80(14) ?
Si1 N3 C11 N1 . . . . -84.3(2) ?
Si2 N3 C11 N1 . . . . 95.66(19) ?
Si1 N3 C11 N2 . . . . 99.00(18) ?
Si2 N3 C11 N2 . . . . -81.03(19) ?
C11 N2 C18 C19 . . . . 116.84(19) ?
Sn1 N2 C18 C19 . . . . -46.9(2) ?
C11 N2 C18 C20 . . . . -121.22(18) ?
Sn1 N2 C18 C20 . . . . 75.0(2) ?


_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_kptu_SnTMS_4
_database_code_depnum_ccdc_archive 'CCDC 1840136'
loop_
_audit_author_name
_audit_author_address
'Thasanaporn Ungpittagul'
;Vidyasirimedhi Institute of Science and Technology, Wangchan, Rayong 21210, Thailand
Thailand
;
_audit_update_record             
;
2018-04-27 deposited with the CCDC.	2020-04-14 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C13 H32 Cl N3 Si2 Sn'
_chemical_formula_sum            'C13 H32 Cl N3 Si2 Sn'
_chemical_formula_iupac          ?
_chemical_formula_weight         440.69

_chemical_melting_point          ?

_space_group_crystal_system      triclinic
_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                   9.0266(5)
_cell_length_b                   15.8031(10)
_cell_length_c                   15.9397(10)
_cell_angle_alpha                67.300(2)
_cell_angle_beta                 83.976(2)
_cell_angle_gamma                83.677(2)
_cell_volume                     2080.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9591
_cell_measurement_theta_min      2.3159
_cell_measurement_theta_max      34.1179
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       Square
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_size_max          0.90039
_exptl_crystal_size_mid          0.41932
_exptl_crystal_size_min          0.19237
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             904

_exptl_absorpt_coefficient_mu    1.468
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.5412
_exptl_absorpt_correction_T_max  0.7454

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'microfocus sealed x-ray tube'
_diffrn_source_type              'Incoatec I\mus'

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker D8 venture'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            119246
_diffrn_reflns_av_R_equivalents  0.0701
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_theta_min         2.27
_diffrn_reflns_theta_max         33.73
_diffrn_reflns_theta_full        33.73
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24

_refine_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_number_total             16604
_reflns_number_gt                12978
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0402
_refine_ls_wR_factor_gt          0.0721
_refine_ls_wR_factor_ref         0.0779
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.023
_refine_ls_number_reflns         16604
_refine_ls_number_parameters     391
_refine_ls_number_restraints     337
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0219P)²+2.9715P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.456
_refine_diff_density_min         -1.663
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_computing_data_collection       'APEX3 v2015.5-2 (Bruker AXS Inc., 2015)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'XT, VERSION 2014/4'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 717)'
_computing_publication_material  'Bruker SHELXL (Bruker AXS Inc., 2015)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
N N5 0.1873(2) 0.86742(14) 0.41756(13) 0.0205(4) Uani d U . . 1.0 . .
N N4 0.2729(2) 0.81830(13) 0.55376(12) 0.0199(4) Uani d U . . 1.0 . .
Sn Sn2 0.32615(3) 0.95208(2) 0.45418(2) 0.02185(6) Uani d U P . 0.8531(10) A 1
Cl Cl2 0.56065(8) 0.89688(7) 0.39233(6) 0.03729(19) Uani d U P . 0.8531(10) A 1
Sn Sn2' 0.25957(17) 0.97556(8) 0.46331(8) 0.02185(6) Uani d U P . 0.1461(6) A 2
Cl Cl2' 0.5225(5) 0.9498(4) 0.4050(3) 0.03729(19) Uani d U P . 0.1461(6) A 2
Sn Sn1 0.46497(2) 0.64861(2) -0.02704(2) 0.01406(4) Uani d U . . 1.0 . .
C C1 0.6740(2) 0.71698(13) 0.02801(13) 0.0117(3) Uani d U . . 1.0 . .
N N1 0.62603(19) 0.75322(12) -0.05524(11) 0.0143(3) Uani d U . . 1.0 . .
C C2 0.6579(2) 0.84221(14) -0.12527(14) 0.0172(4) Uani d U . . 1.0 . .
H H2 0.716 0.8757 -0.0995 0.021 Uiso calc U . R 1.0 . .
N N2 0.60782(19) 0.64032(12) 0.07860(11) 0.0143(3) Uani d U . . 1.0 . .
Cl Cl1 0.64828(6) 0.55727(4) -0.09130(4) 0.02066(10) Uani d U . . 1.0 . .
Si Si1 0.71624(7) 0.82180(5) 0.12295(4) 0.02003(12) Uani d U . . 1.0 . .
Si Si2 0.97165(6) 0.73046(4) 0.02988(4) 0.01665(11) Uani d U . . 1.0 . .
Si Si3 0.22581(7) 0.62967(5) 0.49028(5) 0.02102(12) Uani d U . . 1.0 . .
C C3 0.5116(3) 0.89826(17) -0.15688(19) 0.0296(5) Uani d U . . 1.0 . .
H H3A 0.5329 0.9581 -0.2044 0.044 Uiso calc U . R 1.0 . .
H H3B 0.4539 0.9076 -0.1051 0.044 Uiso calc U . R 1.0 . .
H H3C 0.4538 0.8652 -0.1815 0.044 Uiso calc U . R 1.0 . .
N N3 0.78097(18) 0.75470(12) 0.05882(12) 0.0132(3) Uani d U . . 1.0 . .
Si Si4 -0.05021(7) 0.70274(5) 0.58093(5) 0.02207(13) Uani d U . . 1.0 . .
C C4 0.7498(3) 0.82790(18) -0.20524(16) 0.0264(5) Uani d U . . 1.0 . .
H H4A 0.6941 0.7937 -0.2297 0.04 Uiso calc U . R 1.0 . .
H H4B 0.8446 0.793 -0.1845 0.04 Uiso calc U . R 1.0 . .
H H4C 0.7698 0.8878 -0.253 0.04 Uiso calc U . R 1.0 . .
C C5 0.6424(2) 0.57879(15) 0.17023(14) 0.0174(4) Uani d U . . 1.0 . .
H H5 0.7199 0.6054 0.1912 0.021 Uiso calc U . R 1.0 . .
C C6 0.5016(3) 0.5701(2) 0.23467(17) 0.0306(5) Uani d U . . 1.0 . .
H H6A 0.4652 0.6309 0.2345 0.046 Uiso calc U . R 1.0 . .
H H6B 0.5252 0.5289 0.2965 0.046 Uiso calc U . R 1.0 . .
H H6C 0.4242 0.5451 0.2142 0.046 Uiso calc U . R 1.0 . .
N N6 0.12744(18) 0.71529(13) 0.52301(12) 0.0154(3) Uani d U . . 1.0 . .
C C7 0.7040(3) 0.48488(16) 0.17087(17) 0.0263(5) Uani d U . . 1.0 . .
H H7A 0.6284 0.4579 0.151 0.04 Uiso calc U . R 1.0 . .
H H7B 0.7292 0.4445 0.2327 0.04 Uiso calc U . R 1.0 . .
H H7C 0.7938 0.4918 0.1293 0.04 Uiso calc U . R 1.0 . .
C C8 1.0547(3) 0.83337(18) -0.05927(19) 0.0287(5) Uani d U . . 1.0 . .
H H8A 1.1586 0.8168 -0.0753 0.043 Uiso calc U . R 1.0 . .
H H8B 1.0517 0.8824 -0.0357 0.043 Uiso calc U . R 1.0 . .
H H8C 0.9974 0.8549 -0.1136 0.043 Uiso calc U . R 1.0 . .
C C9 0.9879(2) 0.63554(17) -0.01225(19) 0.0256(5) Uani d U . . 1.0 . .
H H9A 0.9092 0.6455 -0.0537 0.038 Uiso calc U . R 1.0 . .
H H9B 0.9772 0.5769 0.0395 0.038 Uiso calc U . R 1.0 . .
H H9C 1.0859 0.634 -0.0448 0.038 Uiso calc U . R 1.0 . .
C C14 0.1936(2) 0.79881(14) 0.49843(14) 0.0147(3) Uani d U . . 1.0 . .
C C13 0.5165(3) 0.8591(2) 0.1013(2) 0.0335(6) Uani d U . . 1.0 . .
H H13A 0.5081 0.898 0.0368 0.05 Uiso calc U . R 1.0 . .
H H13B 0.4761 0.8942 0.1388 0.05 Uiso calc U . R 1.0 . .
H H13C 0.4599 0.8049 0.1171 0.05 Uiso calc U . R 1.0 . .
C C12 0.7368(4) 0.7596(2) 0.24726(18) 0.0408(7) Uani d U . . 1.0 . .
H H12A 0.8416 0.7374 0.2577 0.061 Uiso calc U . R 1.0 . .
H H12B 0.6746 0.7072 0.2706 0.061 Uiso calc U . R 1.0 . .
H H12C 0.705 0.8014 0.279 0.061 Uiso calc U . R 1.0 . .
C C11 0.8232(3) 0.92604(18) 0.0839(2) 0.0305(5) Uani d U . . 1.0 . .
H H11A 0.8129 0.9607 0.0186 0.046 Uiso calc U . R 1.0 . .
H H11B 0.929 0.9075 0.0946 0.046 Uiso calc U . R 1.0 . .
H H11C 0.7842 0.9648 0.1178 0.046 Uiso calc U . R 1.0 . .
C C10 1.0769(3) 0.6959(2) 0.13369(19) 0.0353(6) Uani d U . . 1.0 . .
H H10A 1.1818 0.6795 0.1195 0.053 Uiso calc U . R 1.0 . .
H H10B 1.0336 0.6428 0.182 0.053 Uiso calc U . R 1.0 . .
H H10C 1.0708 0.7473 0.1543 0.053 Uiso calc U . R 1.0 . .
C C15 0.3061(2) 0.75871(16) 0.64619(14) 0.0191(4) Uani d U . . 1.0 . .
H H15 0.2761 0.6957 0.6584 0.023 Uiso calc U . R 1.0 . .
C C16 0.4731(3) 0.7528(2) 0.65575(18) 0.0292(5) Uani d U . . 1.0 . .
H H16A 0.5274 0.7316 0.61 0.044 Uiso calc U . R 1.0 . .
H H16B 0.4965 0.7094 0.7169 0.044 Uiso calc U . R 1.0 . .
H H16C 0.5031 0.8137 0.6465 0.044 Uiso calc U . R 1.0 . .
C C17 0.2200(3) 0.7939(2) 0.71528(17) 0.0299(5) Uani d U . . 1.0 . .
H H17A 0.2496 0.8553 0.7046 0.045 Uiso calc U . R 1.0 . .
H H17B 0.2425 0.7519 0.7771 0.045 Uiso calc U . R 1.0 . .
H H17C 0.1126 0.7973 0.7086 0.045 Uiso calc U . R 1.0 . .
C C21 -0.1294(3) 0.81856(19) 0.57241(19) 0.0298(5) Uani d U . . 1.0 . .
H H21A -0.1599 0.8539 0.5105 0.045 Uiso calc U . R 1.0 . .
H H21B -0.0538 0.8504 0.5863 0.045 Uiso calc U . R 1.0 . .
H H21C -0.2165 0.8128 0.616 0.045 Uiso calc U . R 1.0 . .
C C20 0.2030(3) 0.8825(2) 0.25941(17) 0.0360(6) Uani d U . . 1.0 . .
H H20A 0.1453 0.8819 0.2109 0.054 Uiso calc U . R 1.0 . .
H H20B 0.28 0.8311 0.2744 0.054 Uiso calc U . R 1.0 . .
H H20C 0.2505 0.9407 0.2387 0.054 Uiso calc U . R 1.0 . .
C C19 -0.0182(3) 0.9540(2) 0.32295(19) 0.0335(6) Uani d U . . 1.0 . .
H H19A 0.0311 1.0111 0.3059 0.05 Uiso calc U . R 1.0 . .
H H19B -0.0865 0.9459 0.377 0.05 Uiso calc U . R 1.0 . .
H H19C -0.0747 0.9571 0.2724 0.05 Uiso calc U . R 1.0 . .
C C18 0.0989(3) 0.87301(17) 0.34393(15) 0.0223(4) Uani d U . . 1.0 . .
H H18 0.0473 0.815 0.3628 0.027 Uiso calc U . R 1.0 . .
C C22 -0.0480(3) 0.6257(2) 0.7030(2) 0.0365(6) Uani d U . . 1.0 . .
H H22A -0.0133 0.5631 0.708 0.055 Uiso calc U . R 1.0 . .
H H22B -0.1491 0.6258 0.7323 0.055 Uiso calc U . R 1.0 . .
H H22C 0.0196 0.6476 0.7332 0.055 Uiso calc U . R 1.0 . .
C C23 -0.1686(3) 0.6560(2) 0.5236(2) 0.0381(7) Uani d U . . 1.0 . .
H H23A -0.181 0.7 0.461 0.057 Uiso calc U . R 1.0 . .
H H23B -0.2667 0.6455 0.557 0.057 Uiso calc U . R 1.0 . .
H H23C -0.1209 0.5977 0.5222 0.057 Uiso calc U . R 1.0 . .
C C24 0.1958(3) 0.51587(18) 0.58230(19) 0.0320(6) Uani d U . . 1.0 . .
H H24A 0.0901 0.504 0.5881 0.048 Uiso calc U . R 1.0 . .
H H24B 0.2242 0.5157 0.64 0.048 Uiso calc U . R 1.0 . .
H H24C 0.2571 0.4678 0.5673 0.048 Uiso calc U . R 1.0 . .
C C25 0.1649(3) 0.62927(19) 0.38224(18) 0.0289(5) Uani d U . . 1.0 . .
H H25A 0.195 0.6848 0.3312 0.043 Uiso calc U . R 1.0 . .
H H25B 0.056 0.6281 0.3866 0.043 Uiso calc U . R 1.0 . .
H H25C 0.2117 0.5747 0.3721 0.043 Uiso calc U . R 1.0 . .
C C26 0.4266(3) 0.6481(2) 0.4755(2) 0.0359(7) Uani d U . . 1.0 . .
H H26A 0.4808 0.6071 0.4476 0.054 Uiso calc U . R 1.0 . .
H H26B 0.4646 0.6347 0.535 0.054 Uiso calc U . R 1.0 . .
H H26C 0.4412 0.7122 0.4359 0.054 Uiso calc U . R 1.0 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
N5 C14 . 1.328(3) ?
N5 C18 . 1.457(3) ?
N5 Sn2 . 2.1972(18) ?
N5 Sn2' . 2.277(2) ?
N4 C14 . 1.333(3) ?
N4 C15 . 1.451(3) ?
N4 Sn2 . 2.1666(19) ?
N4 Sn2' . 2.340(2) ?
Sn2 Cl2 . 2.4561(9) ?
Sn2 C14 . 2.634(2) ?
Sn2' Cl2' . 2.506(5) ?
Sn1 N2 . 2.1826(16) ?
Sn1 N1 . 2.2061(16) ?
Sn1 Cl1 . 2.4758(6) ?
Sn1 C1 . 2.6509(19) ?
C1 N1 . 1.325(2) ?
C1 N2 . 1.334(2) ?
C1 N3 . 1.407(2) ?
N1 C2 . 1.455(3) ?
C2 C3 . 1.523(3) ?
C2 C4 . 1.524(3) ?
C2 H2 . 1.0 ?
N2 C5 . 1.452(3) ?
Si1 N3 . 1.7567(18) ?
Si1 C13 . 1.859(3) ?
Si1 C12 . 1.860(3) ?
Si1 C11 . 1.862(3) ?
Si2 N3 . 1.7738(17) ?
Si2 C9 . 1.852(2) ?
Si2 C10 . 1.859(3) ?
Si2 C8 . 1.867(3) ?
Si3 N6 . 1.7535(19) ?
Si3 C26 . 1.844(3) ?
Si3 C24 . 1.857(3) ?
Si3 C25 . 1.864(3) ?
C3 H3A . 0.98 ?
C3 H3B . 0.98 ?
C3 H3C . 0.98 ?
Si4 N6 . 1.7554(18) ?
Si4 C21 . 1.849(3) ?
Si4 C23 . 1.851(3) ?
Si4 C22 . 1.856(3) ?
C4 H4A . 0.98 ?
C4 H4B . 0.98 ?
C4 H4C . 0.98 ?
C5 C7 . 1.523(3) ?
C5 C6 . 1.532(3) ?
C5 H5 . 1.0 ?
C6 H6A . 0.98 ?
C6 H6B . 0.98 ?
C6 H6C . 0.98 ?
N6 C14 . 1.406(3) ?
C7 H7A . 0.98 ?
C7 H7B . 0.98 ?
C7 H7C . 0.98 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C13 H13A . 0.98 ?
C13 H13B . 0.98 ?
C13 H13C . 0.98 ?
C12 H12A . 0.98 ?
C12 H12B . 0.98 ?
C12 H12C . 0.98 ?
C11 H11A . 0.98 ?
C11 H11B . 0.98 ?
C11 H11C . 0.98 ?
C10 H10A . 0.98 ?
C10 H10B . 0.98 ?
C10 H10C . 0.98 ?
C15 C16 . 1.520(3) ?
C15 C17 . 1.525(3) ?
C15 H15 . 1.0 ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C20 C18 . 1.526(3) ?
C20 H20A . 0.98 ?
C20 H20B . 0.98 ?
C20 H20C . 0.98 ?
C19 C18 . 1.520(4) ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C18 H18 . 1.0 ?
C22 H22A . 0.98 ?
C22 H22B . 0.98 ?
C22 H22C . 0.98 ?
C23 H23A . 0.98 ?
C23 H23B . 0.98 ?
C23 H23C . 0.98 ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C26 H26A . 0.98 ?
C26 H26B . 0.98 ?
C26 H26C . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C14 N5 C18 . . 126.05(19) ?
C14 N5 Sn2 . . 93.41(13) ?
C18 N5 Sn2 . . 140.26(15) ?
C14 N5 Sn2' . . 95.79(13) ?
C18 N5 Sn2' . . 132.93(16) ?
C14 N4 C15 . . 126.58(19) ?
C14 N4 Sn2 . . 94.65(13) ?
C15 N4 Sn2 . . 138.70(14) ?
C14 N4 Sn2' . . 92.84(13) ?
C15 N4 Sn2' . . 138.24(15) ?
N4 Sn2 N5 . . 60.49(7) ?
N4 Sn2 Cl2 . . 95.52(6) ?
N5 Sn2 Cl2 . . 94.22(6) ?
N4 Sn2 C14 . . 30.28(6) ?
N5 Sn2 C14 . . 30.22(6) ?
Cl2 Sn2 C14 . . 95.32(5) ?
N5 Sn2' N4 . . 56.85(7) ?
N5 Sn2' Cl2' . . 89.81(15) ?
N4 Sn2' Cl2' . . 86.91(14) ?
N2 Sn1 N1 . . 59.99(6) ?
N2 Sn1 Cl1 . . 93.86(5) ?
N1 Sn1 Cl1 . . 90.92(5) ?
N2 Sn1 C1 . . 30.10(6) ?
N1 Sn1 C1 . . 29.91(6) ?
Cl1 Sn1 C1 . . 93.54(4) ?
N1 C1 N2 . . 111.21(17) ?
N1 C1 N3 . . 124.26(17) ?
N2 C1 N3 . . 124.54(17) ?
N1 C1 Sn1 . . 56.12(10) ?
N2 C1 Sn1 . . 55.13(10) ?
N3 C1 Sn1 . . 177.94(14) ?
C1 N1 C2 . . 126.88(17) ?
C1 N1 Sn1 . . 93.97(12) ?
C2 N1 Sn1 . . 137.91(13) ?
N1 C2 C3 . . 109.41(18) ?
N1 C2 C4 . . 109.35(18) ?
C3 C2 C4 . . 110.13(19) ?
N1 C2 H2 . . 109.3 ?
C3 C2 H2 . . 109.3 ?
C4 C2 H2 . . 109.3 ?
C1 N2 C5 . . 126.07(17) ?
C1 N2 Sn1 . . 94.77(12) ?
C5 N2 Sn1 . . 139.06(13) ?
N3 Si1 C13 . . 107.79(10) ?
N3 Si1 C12 . . 113.09(12) ?
C13 Si1 C12 . . 110.11(15) ?
N3 Si1 C11 . . 109.45(10) ?
C13 Si1 C11 . . 108.47(13) ?
C12 Si1 C11 . . 107.84(14) ?
N3 Si2 C9 . . 109.27(9) ?
N3 Si2 C10 . . 108.44(11) ?
C9 Si2 C10 . . 109.97(13) ?
N3 Si2 C8 . . 111.74(10) ?
C9 Si2 C8 . . 109.35(12) ?
C10 Si2 C8 . . 108.05(13) ?
N6 Si3 C26 . . 108.79(11) ?
N6 Si3 C24 . . 108.62(11) ?
C26 Si3 C24 . . 109.00(14) ?
N6 Si3 C25 . . 112.86(11) ?
C26 Si3 C25 . . 108.97(13) ?
C24 Si3 C25 . . 108.54(12) ?
C2 C3 H3A . . 109.5 ?
C2 C3 H3B . . 109.5 ?
H3A C3 H3B . . 109.5 ?
C2 C3 H3C . . 109.5 ?
H3A C3 H3C . . 109.5 ?
H3B C3 H3C . . 109.5 ?
C1 N3 Si1 . . 117.83(13) ?
C1 N3 Si2 . . 117.23(13) ?
Si1 N3 Si2 . . 124.94(10) ?
N6 Si4 C21 . . 107.32(11) ?
N6 Si4 C23 . . 108.43(11) ?
C21 Si4 C23 . . 109.55(13) ?
N6 Si4 C22 . . 113.76(11) ?
C21 Si4 C22 . . 108.96(13) ?
C23 Si4 C22 . . 108.77(15) ?
C2 C4 H4A . . 109.5 ?
C2 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C2 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
N2 C5 C7 . . 110.27(18) ?
N2 C5 C6 . . 109.53(18) ?
C7 C5 C6 . . 110.7(2) ?
N2 C5 H5 . . 108.8 ?
C7 C5 H5 . . 108.8 ?
C6 C5 H5 . . 108.8 ?
C5 C6 H6A . . 109.5 ?
C5 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
C5 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C14 N6 Si3 . . 117.57(13) ?
C14 N6 Si4 . . 119.18(14) ?
Si3 N6 Si4 . . 123.21(11) ?
C5 C7 H7A . . 109.5 ?
C5 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C5 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
Si2 C8 H8A . . 109.5 ?
Si2 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
Si2 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
Si2 C9 H9A . . 109.5 ?
Si2 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
Si2 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
N5 C14 N4 . . 111.44(19) ?
N5 C14 N6 . . 124.80(18) ?
N4 C14 N6 . . 123.75(19) ?
N5 C14 Sn2 . . 56.38(11) ?
N4 C14 Sn2 . . 55.07(11) ?
N6 C14 Sn2 . . 178.08(14) ?
Si1 C13 H13A . . 109.5 ?
Si1 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
Si1 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
Si1 C12 H12A . . 109.5 ?
Si1 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
Si1 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
Si1 C11 H11A . . 109.5 ?
Si1 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
Si1 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
Si2 C10 H10A . . 109.5 ?
Si2 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
Si2 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
N4 C15 C16 . . 109.42(19) ?
N4 C15 C17 . . 111.05(19) ?
C16 C15 C17 . . 110.18(19) ?
N4 C15 H15 . . 108.7 ?
C16 C15 H15 . . 108.7 ?
C17 C15 H15 . . 108.7 ?
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 ?
Si4 C21 H21A . . 109.5 ?
Si4 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
Si4 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C18 C20 H20A . . 109.5 ?
C18 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C18 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
C18 C19 H19A . . 109.5 ?
C18 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C18 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
N5 C18 C19 . . 111.0(2) ?
N5 C18 C20 . . 109.0(2) ?
C19 C18 C20 . . 110.3(2) ?
N5 C18 H18 . . 108.9 ?
C19 C18 H18 . . 108.9 ?
C20 C18 H18 . . 108.9 ?
Si4 C22 H22A . . 109.5 ?
Si4 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
Si4 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
Si4 C23 H23A . . 109.5 ?
Si4 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
Si4 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
Si3 C24 H24A . . 109.5 ?
Si3 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
Si3 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
Si3 C25 H25A . . 109.5 ?
Si3 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
Si3 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
Si3 C26 H26A . . 109.5 ?
Si3 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
Si3 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N2 C1 N1 C2 . . . . 171.51(18) ?
N3 C1 N1 C2 . . . . -8.4(3) ?
Sn1 C1 N1 C2 . . . . 169.1(2) ?
N2 C1 N1 Sn1 . . . . 2.40(17) ?
N3 C1 N1 Sn1 . . . . -177.56(16) ?
C1 N1 C2 C3 . . . . -124.5(2) ?
Sn1 N1 C2 C3 . . . . 39.2(3) ?
C1 N1 C2 C4 . . . . 114.8(2) ?
Sn1 N1 C2 C4 . . . . -81.5(2) ?
N1 C1 N2 C5 . . . . 174.52(19) ?
N3 C1 N2 C5 . . . . -5.5(3) ?
Sn1 C1 N2 C5 . . . . 176.9(2) ?
N1 C1 N2 Sn1 . . . . -2.43(17) ?
N3 C1 N2 Sn1 . . . . 177.53(16) ?
N1 C1 N3 Si1 . . . . 98.6(2) ?
N2 C1 N3 Si1 . . . . -81.4(2) ?
N1 C1 N3 Si2 . . . . -81.5(2) ?
N2 C1 N3 Si2 . . . . 98.5(2) ?
C13 Si1 N3 C1 . . . . -19.09(19) ?
C12 Si1 N3 C1 . . . . 102.87(18) ?
C11 Si1 N3 C1 . . . . -136.88(16) ?
C13 Si1 N3 Si2 . . . . 161.03(14) ?
C12 Si1 N3 Si2 . . . . -77.00(17) ?
C11 Si1 N3 Si2 . . . . 43.24(16) ?
C9 Si2 N3 C1 . . . . -13.79(18) ?
C10 Si2 N3 C1 . . . . -133.66(17) ?
C8 Si2 N3 C1 . . . . 107.36(17) ?
C9 Si2 N3 Si1 . . . . 166.09(13) ?
C10 Si2 N3 Si1 . . . . 46.22(17) ?
C8 Si2 N3 Si1 . . . . -72.76(15) ?
C1 N2 C5 C7 . . . . -115.5(2) ?
Sn1 N2 C5 C7 . . . . 59.9(3) ?
C1 N2 C5 C6 . . . . 122.5(2) ?
Sn1 N2 C5 C6 . . . . -62.2(3) ?
C26 Si3 N6 C14 . . . . 24.8(2) ?
C24 Si3 N6 C14 . . . . 143.36(16) ?
C25 Si3 N6 C14 . . . . -96.23(17) ?
C26 Si3 N6 Si4 . . . . -157.34(15) ?
C24 Si3 N6 Si4 . . . . -38.82(16) ?
C25 Si3 N6 Si4 . . . . 81.59(15) ?
C21 Si4 N6 C14 . . . . 13.15(19) ?
C23 Si4 N6 C14 . . . . 131.40(18) ?
C22 Si4 N6 C14 . . . . -107.45(19) ?
C21 Si4 N6 Si3 . . . . -164.64(13) ?
C23 Si4 N6 Si3 . . . . -46.39(17) ?
C22 Si4 N6 Si3 . . . . 74.76(17) ?
C18 N5 C14 N4 . . . . -173.9(2) ?
Sn2 N5 C14 N4 . . . . 0.97(19) ?
Sn2' N5 C14 N4 . . . . -16.89(19) ?
C18 N5 C14 N6 . . . . 7.0(3) ?
Sn2 N5 C14 N6 . . . . -178.17(17) ?
Sn2' N5 C14 N6 . . . . 163.96(18) ?
C18 N5 C14 Sn2 . . . . -174.9(3) ?
C15 N4 C14 N5 . . . . -178.4(2) ?
Sn2 N4 C14 N5 . . . . -0.99(19) ?
Sn2' N4 C14 N5 . . . . 16.36(19) ?
C15 N4 C14 N6 . . . . 0.7(3) ?
Sn2 N4 C14 N6 . . . . 178.17(17) ?
Sn2' N4 C14 N6 . . . . -164.48(18) ?
C15 N4 C14 Sn2 . . . . -177.4(3) ?
Si3 N6 C14 N5 . . . . 82.5(2) ?
Si4 N6 C14 N5 . . . . -95.4(2) ?
Si3 N6 C14 N4 . . . . -96.6(2) ?
Si4 N6 C14 N4 . . . . 85.5(2) ?
C14 N4 C15 C16 . . . . 129.0(2) ?
Sn2 N4 C15 C16 . . . . -47.2(3) ?
Sn2' N4 C15 C16 . . . . -73.6(3) ?
C14 N4 C15 C17 . . . . -109.2(3) ?
Sn2 N4 C15 C17 . . . . 74.7(3) ?
Sn2' N4 C15 C17 . . . . 48.3(3) ?
C14 N5 C18 C19 . . . . 116.8(3) ?
Sn2 N5 C18 C19 . . . . -55.2(3) ?
Sn2' N5 C18 C19 . . . . -31.1(3) ?
C14 N5 C18 C20 . . . . -121.6(3) ?
Sn2 N5 C18 C20 . . . . 66.5(3) ?
Sn2' N5 C18 C20 . . . . 90.5(3) ?


_chemical_properties_physical    Air-sensitive,Moisture-sensitive
####################################################################### 
# 
# 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_kptu03041701_2cy2SnTMS
_database_code_depnum_ccdc_archive 'CCDC 1840135'
loop_
_audit_author_name
_audit_author_address
'Thasanaporn Ungpittagul'
;Vidyasirimedhi Institute of Science and Technology, Wangchan, Rayong 21210, Thailand
Thailand
;
_audit_update_record             
;
2018-04-27 deposited with the CCDC.	2020-04-14 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C38 H80 N6 Si4 Sn'
_chemical_formula_sum            'C38 H80 N6 Si4 Sn'
_chemical_formula_iupac          ?
_chemical_formula_weight         852.13

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.171(11)
_cell_length_b                   16.289(10)
_cell_length_c                   18.325(12)
_cell_angle_alpha                90
_cell_angle_beta                 95.01(2)
_cell_angle_gamma                90
_cell_volume                     4809.(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9858
_cell_measurement_theta_min      2.5029
_cell_measurement_theta_max      28.9109
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       Square
_exptl_crystal_colour            'translucent colourless'
_exptl_crystal_size_max          0.3897
_exptl_crystal_size_mid          0.2924
_exptl_crystal_size_min          0.0616
_exptl_crystal_density_diffrn    1.177
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1824

_exptl_absorpt_coefficient_mu    0.662
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.7061
_exptl_absorpt_correction_T_max  0.7458

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'microfocus sealed x-ray tube'
_diffrn_source_type              'Incoatec I\mus'

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker d8 Venture'
_diffrn_measurement_method       'φ and ω scans'

_diffrn_detector_area_resol_mean 10.4167

_diffrn_reflns_number            144624
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0209
_diffrn_reflns_theta_min         2.50
_diffrn_reflns_theta_max         28.68
_diffrn_reflns_theta_full        28.68
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24

_refine_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_number_total             12363
_reflns_number_gt                10747
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0229
_refine_ls_wR_factor_gt          0.0531
_refine_ls_wR_factor_ref         0.0563
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.058
_refine_ls_number_reflns         12363
_refine_ls_number_parameters     454
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0257P)²+2.0563P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.422
_refine_diff_density_min         -0.451
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Si Si 0.0817 0.0704 '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'

_computing_data_collection       'APEX3 v2015.5-2 (Bruker AXS Inc., 2015)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'XT, VERSION 2014/4'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 717)'
_computing_publication_material  'Bruker SHELXL (Bruker AXS Inc., 2015)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn Sn1 0.38002(2) 0.41945(2) 0.67964(2) 0.01221(3) Uani d . . . 1 . .
C C1 0.52178(8) 0.33003(8) 0.67909(7) 0.0123(2) Uani d . . . 1 . .
Si Si1 0.63014(2) 0.19889(2) 0.68987(2) 0.01756(8) Uani d . . . 1 . .
N N1 0.50895(6) 0.37063(7) 0.73962(6) 0.0135(2) Uani d . . . 1 . .
Si Si2 0.66186(2) 0.36301(2) 0.61056(2) 0.01846(8) Uani d . . . 1 . .
C C2 0.57742(8) 0.40161(8) 0.78936(7) 0.0145(3) Uani d . . . 1 . .
H H2 0.6297 0.3977 0.7642 0.017 Uiso calc U . R 1 . .
N N2 0.45335(7) 0.32308(7) 0.63280(6) 0.0146(2) Uani d . . . 1 . .
Si Si3 0.11544(2) 0.22223(2) 0.70092(2) 0.01451(7) Uani d . . . 1 . .
C C3 0.56249(9) 0.49208(8) 0.80746(8) 0.0191(3) Uani d . . . 1 . .
H H3A 0.557 0.5245 0.7616 0.023 Uiso calc U . R 1 . .
H H3B 0.51 0.4972 0.8311 0.023 Uiso calc U . R 1 . .
N N3 0.60121(7) 0.29924(7) 0.66231(6) 0.0144(2) Uani d . . . 1 . .
N N4 0.30124(6) 0.34713(7) 0.74569(6) 0.0129(2) Uani d . . . 1 . .
Si Si4 0.10067(2) 0.39556(2) 0.76950(2) 0.01603(8) Uani d . . . 1 . .
C C4 0.63404(9) 0.52642(9) 0.85866(9) 0.0246(3) Uani d . . . 1 . .
H H4A 0.6856 0.5259 0.8332 0.029 Uiso calc U . R 1 . .
H H4B 0.6218 0.5841 0.871 0.029 Uiso calc U . R 1 . .
N N5 0.24721(6) 0.36649(6) 0.63114(6) 0.0119(2) Uani d . . . 1 . .
C C5 0.64737(10) 0.47641(10) 0.92899(9) 0.0291(3) Uani d . . . 1 . .
H H5A 0.5984 0.4821 0.9574 0.035 Uiso calc U . R 1 . .
H H5B 0.6964 0.4977 0.9593 0.035 Uiso calc U . R 1 . .
N N6 0.15355(6) 0.32198(6) 0.72062(6) 0.0122(2) Uani d . . . 1 . .
C C6 0.66070(10) 0.38592(9) 0.91163(9) 0.0257(3) Uani d . . . 1 . .
H H6A 0.6654 0.3539 0.9577 0.031 Uiso calc U . R 1 . .
H H6B 0.7133 0.3796 0.8883 0.031 Uiso calc U . R 1 . .
C C9 0.38760(9) 0.20823(9) 0.56128(8) 0.0203(3) Uani d . . . 1 . .
H H9A 0.3316 0.2299 0.5681 0.024 Uiso calc U . R 1 . .
H H9B 0.4035 0.1699 0.602 0.024 Uiso calc U . R 1 . .
C C8 0.44969(8) 0.27938(8) 0.56319(7) 0.0153(3) Uani d . . . 1 . .
H H8 0.506 0.2566 0.5567 0.018 Uiso calc U . R 1 . .
C C7 0.58876(9) 0.35218(9) 0.86029(8) 0.0202(3) Uani d . . . 1 . .
H H7A 0.5999 0.2941 0.8487 0.024 Uiso calc U . R 1 . .
H H7B 0.5369 0.3542 0.8853 0.024 Uiso calc U . R 1 . .
C C10 0.38539(10) 0.16195(10) 0.48831(8) 0.0267(3) Uani d . . . 1 . .
H H10A 0.4402 0.1364 0.4835 0.032 Uiso calc U . R 1 . .
H H10B 0.3436 0.1175 0.4878 0.032 Uiso calc U . R 1 . .
C C11 0.36396(10) 0.21938(10) 0.42359(8) 0.0276(3) Uani d . . . 1 . .
H H11A 0.3679 0.1889 0.3773 0.033 Uiso calc U . R 1 . .
H H11B 0.3061 0.2388 0.4246 0.033 Uiso calc U . R 1 . .
C C13 0.42509(9) 0.33781(9) 0.49937(7) 0.0196(3) Uani d . . . 1 . .
H H13A 0.3699 0.3617 0.5056 0.024 Uiso calc U . R 1 . .
H H13B 0.4657 0.3833 0.4997 0.024 Uiso calc U . R 1 . .
C C12 0.42226(10) 0.29300(10) 0.42586(8) 0.0268(3) Uani d . . . 1 . .
H H12A 0.4035 0.3316 0.386 0.032 Uiso calc U . R 1 . .
H H12B 0.4788 0.2742 0.4173 0.032 Uiso calc U . R 1 . .
C C14 0.54255(9) 0.14903(9) 0.73225(9) 0.0242(3) Uani d . . . 1 . .
H H14A 0.4918 0.1537 0.6991 0.036 Uiso calc U . R 1 . .
H H14B 0.5342 0.1762 0.7788 0.036 Uiso calc U . R 1 . .
H H14C 0.5554 0.0909 0.7412 0.036 Uiso calc U . R 1 . .
C C17 0.62470(10) 0.47106(9) 0.61565(9) 0.0283(3) Uani d . . . 1 . .
H H17A 0.6506 0.5046 0.5795 0.042 Uiso calc U . R 1 . .
H H17B 0.6398 0.4929 0.6649 0.042 Uiso calc U . R 1 . .
H H17C 0.5642 0.4725 0.6053 0.042 Uiso calc U . R 1 . .
C C16 0.65546(11) 0.13721(11) 0.60861(9) 0.0334(4) Uani d . . . 1 . .
H H16A 0.6092 0.1403 0.5704 0.05 Uiso calc U . R 1 . .
H H16B 0.6647 0.0798 0.6232 0.05 Uiso calc U . R 1 . .
H H16C 0.7058 0.1591 0.5896 0.05 Uiso calc U . R 1 . .
C C15 0.72281(10) 0.19591(11) 0.75851(10) 0.0323(4) Uani d . . . 1 . .
H H15A 0.773 0.2076 0.734 0.048 Uiso calc U . R 1 . .
H H15B 0.7274 0.1413 0.781 0.048 Uiso calc U . R 1 . .
H H15C 0.7166 0.2373 0.7965 0.048 Uiso calc U . R 1 . .
C C20 0.23318(7) 0.34407(7) 0.69826(7) 0.0111(2) Uani d . . . 1 . .
C C21 0.30722(8) 0.30919(8) 0.81801(7) 0.0127(2) Uani d . . . 1 . .
H H21 0.2508 0.2896 0.8282 0.015 Uiso calc U . R 1 . .
C C22 0.33761(9) 0.37057(8) 0.87774(7) 0.0168(3) Uani d . . . 1 . .
H H22A 0.2995 0.4182 0.8765 0.02 Uiso calc U . R 1 . .
H H22B 0.3934 0.3908 0.8684 0.02 Uiso calc U . R 1 . .
C C23 0.34143(10) 0.33010(9) 0.95340(8) 0.0223(3) Uani d . . . 1 . .
H H23A 0.3643 0.3698 0.9908 0.027 Uiso calc U . R 1 . .
H H23B 0.2845 0.3157 0.9648 0.027 Uiso calc U . R 1 . .
C C24 0.39498(9) 0.25280(9) 0.95749(8) 0.0206(3) Uani d . . . 1 . .
H H24A 0.3903 0.2252 1.0051 0.025 Uiso calc U . R 1 . .
H H24B 0.4538 0.2683 0.9548 0.025 Uiso calc U . R 1 . .
C C25 0.36870(9) 0.19313(8) 0.89534(7) 0.0183(3) Uani d . . . 1 . .
H H25A 0.4084 0.1468 0.8965 0.022 Uiso calc U . R 1 . .
H H25B 0.3132 0.1706 0.9027 0.022 Uiso calc U . R 1 . .
C C26 0.36581(8) 0.23537(8) 0.82076(7) 0.0145(3) Uani d . . . 1 . .
H H26A 0.3466 0.1958 0.7819 0.017 Uiso calc U . R 1 . .
H H26B 0.4223 0.2538 0.8115 0.017 Uiso calc U . R 1 . .
C C27 0.17954(8) 0.39296(8) 0.57847(7) 0.0120(2) Uani d . . . 1 . .
H H27 0.1271 0.3942 0.6036 0.014 Uiso calc U . R 1 . .
C C28 0.19676(8) 0.47976(8) 0.55103(7) 0.0148(3) Uani d . . . 1 . .
H H28A 0.2038 0.5178 0.5932 0.018 Uiso calc U . R 1 . .
H H28B 0.249 0.4796 0.5266 0.018 Uiso calc U . R 1 . .
C C29 0.12552(9) 0.50976(8) 0.49718(7) 0.0178(3) Uani d . . . 1 . .
H H29A 0.0743 0.5141 0.5228 0.021 Uiso calc U . R 1 . .
H H29B 0.1389 0.5651 0.4792 0.021 Uiso calc U . R 1 . .
C C30 0.11037(9) 0.45146(9) 0.43214(8) 0.0211(3) Uani d . . . 1 . .
H H30A 0.1591 0.4521 0.4029 0.025 Uiso calc U . R 1 . .
H H30B 0.0614 0.4701 0.4003 0.025 Uiso calc U . R 1 . .
C C31 0.09562(9) 0.36404(8) 0.45866(8) 0.0200(3) Uani d . . . 1 . .
H H31A 0.0432 0.3623 0.4828 0.024 Uiso calc U . R 1 . .
H H31B 0.0899 0.3264 0.4161 0.024 Uiso calc U . R 1 . .
C C32 0.16718(9) 0.33501(8) 0.51257(7) 0.0172(3) Uani d . . . 1 . .
H H32A 0.2189 0.3327 0.4874 0.021 Uiso calc U . R 1 . .
H H32B 0.1552 0.279 0.5298 0.021 Uiso calc U . R 1 . .
C C33 0.10948(10) 0.38030(10) 0.87116(8) 0.0270(3) Uani d . . . 1 . .
H H33A 0.0965 0.3231 0.8822 0.04 Uiso calc U . R 1 . .
H H33B 0.0704 0.4168 0.8932 0.04 Uiso calc U . R 1 . .
H H33C 0.1662 0.393 0.8913 0.04 Uiso calc U . R 1 . .
C C34 -0.01253(9) 0.39075(10) 0.73898(10) 0.0281(3) Uani d . . . 1 . .
H H34A -0.0205 0.3972 0.6857 0.042 Uiso calc U . R 1 . .
H H34B -0.0416 0.4349 0.7625 0.042 Uiso calc U . R 1 . .
H H34C -0.0349 0.3376 0.7528 0.042 Uiso calc U . R 1 . .
C C35 0.14202(9) 0.49904(9) 0.74907(9) 0.0240(3) Uani d . . . 1 . .
H H35A 0.2028 0.4981 0.7561 0.036 Uiso calc U . R 1 . .
H H35B 0.1206 0.5396 0.7821 0.036 Uiso calc U . R 1 . .
H H35C 0.1244 0.5138 0.6982 0.036 Uiso calc U . R 1 . .
C C36 0.02353(9) 0.22177(10) 0.63138(9) 0.0277(3) Uani d . . . 1 . .
H H36A 0.034 0.2586 0.5909 0.042 Uiso calc U . R 1 . .
H H36B -0.0257 0.2405 0.6543 0.042 Uiso calc U . R 1 . .
H H36C 0.0141 0.1659 0.6125 0.042 Uiso calc U . R 1 . .
C C37 0.08299(11) 0.17612(10) 0.78688(9) 0.0294(4) Uani d . . . 1 . .
H H37A 0.0656 0.1192 0.7776 0.044 Uiso calc U . R 1 . .
H H37B 0.0366 0.2076 0.8036 0.044 Uiso calc U . R 1 . .
H H37C 0.1297 0.1773 0.8247 0.044 Uiso calc U . R 1 . .
C C38 0.19800(9) 0.15805(9) 0.66488(8) 0.0227(3) Uani d . . . 1 . .
H H38A 0.1784 0.1013 0.659 0.034 Uiso calc U . R 1 . .
H H38B 0.2479 0.1595 0.6993 0.034 Uiso calc U . R 1 . .
H H38C 0.2112 0.1795 0.6173 0.034 Uiso calc U . R 1 . .
C C19 0.77241(10) 0.35605(12) 0.64960(10) 0.0375(4) Uani d . . . 1 . .
H H19A 0.7941 0.3013 0.6402 0.056 Uiso calc U . R 1 . .
H H19B 0.7755 0.3657 0.7026 0.056 Uiso calc U . R 1 . .
H H19C 0.8055 0.3975 0.6266 0.056 Uiso calc U . R 1 . .
C C18 0.65824(10) 0.33378(10) 0.51170(8) 0.0275(3) Uani d . . . 1 . .
H H18A 0.6034 0.347 0.4875 0.041 Uiso calc U . R 1 . .
H H18B 0.6685 0.2747 0.5076 0.041 Uiso calc U . R 1 . .
H H18C 0.7009 0.3643 0.4882 0.041 Uiso calc U . R 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sn1 N4 . 2.1783(14) ?
Sn1 N2 . 2.1875(14) ?
Sn1 N1 . 2.4056(17) ?
Sn1 N5 . 2.4111(17) ?
C1 N1 . 1.3233(18) ?
C1 N2 . 1.3390(18) ?
C1 N3 . 1.4370(18) ?
Si1 N3 . 1.7620(15) ?
Si1 C14 . 1.8605(17) ?
Si1 C15 . 1.8708(19) ?
Si1 C16 . 1.8712(19) ?
N1 C2 . 1.4612(18) ?
Si2 N3 . 1.7615(13) ?
Si2 C17 . 1.8648(19) ?
Si2 C18 . 1.869(2) ?
Si2 C19 . 1.870(2) ?
C2 C7 . 1.526(2) ?
C2 C3 . 1.534(2) ?
C2 H2 . 1.0 ?
N2 C8 . 1.4574(18) ?
Si3 N6 . 1.7638(14) ?
Si3 C37 . 1.8615(18) ?
Si3 C38 . 1.8617(17) ?
Si3 C36 . 1.8713(18) ?
C3 C4 . 1.530(2) ?
C3 H3A . 0.99 ?
C3 H3B . 0.99 ?
N4 C20 . 1.3423(18) ?
N4 C21 . 1.4577(18) ?
Si4 N6 . 1.7618(13) ?
Si4 C35 . 1.8633(17) ?
Si4 C34 . 1.868(2) ?
Si4 C33 . 1.872(2) ?
C4 C5 . 1.524(2) ?
C4 H4A . 0.99 ?
C4 H4B . 0.99 ?
N5 C20 . 1.3216(18) ?
N5 C27 . 1.4596(17) ?
C5 C6 . 1.527(2) ?
C5 H5A . 0.99 ?
C5 H5B . 0.99 ?
N6 C20 . 1.4311(18) ?
C6 C7 . 1.533(2) ?
C6 H6A . 0.99 ?
C6 H6B . 0.99 ?
C9 C8 . 1.532(2) ?
C9 C10 . 1.533(2) ?
C9 H9A . 0.99 ?
C9 H9B . 0.99 ?
C8 C13 . 1.533(2) ?
C8 H8 . 1.0 ?
C7 H7A . 0.99 ?
C7 H7B . 0.99 ?
C10 C11 . 1.526(2) ?
C10 H10A . 0.99 ?
C10 H10B . 0.99 ?
C11 C12 . 1.524(2) ?
C11 H11A . 0.99 ?
C11 H11B . 0.99 ?
C13 C12 . 1.529(2) ?
C13 H13A . 0.99 ?
C13 H13B . 0.99 ?
C12 H12A . 0.99 ?
C12 H12B . 0.99 ?
C14 H14A . 0.98 ?
C14 H14B . 0.98 ?
C14 H14C . 0.98 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C15 H15A . 0.98 ?
C15 H15B . 0.98 ?
C15 H15C . 0.98 ?
C21 C26 . 1.5290(19) ?
C21 C22 . 1.5315(19) ?
C21 H21 . 1.0 ?
C22 C23 . 1.532(2) ?
C22 H22A . 0.99 ?
C22 H22B . 0.99 ?
C23 C24 . 1.526(2) ?
C23 H23A . 0.99 ?
C23 H23B . 0.99 ?
C24 C25 . 1.529(2) ?
C24 H24A . 0.99 ?
C24 H24B . 0.99 ?
C25 C26 . 1.527(2) ?
C25 H25A . 0.99 ?
C25 H25B . 0.99 ?
C26 H26A . 0.99 ?
C26 H26B . 0.99 ?
C27 C32 . 1.5320(19) ?
C27 C28 . 1.5343(19) ?
C27 H27 . 1.0 ?
C28 C29 . 1.5299(19) ?
C28 H28A . 0.99 ?
C28 H28B . 0.99 ?
C29 C30 . 1.527(2) ?
C29 H29A . 0.99 ?
C29 H29B . 0.99 ?
C30 C31 . 1.530(2) ?
C30 H30A . 0.99 ?
C30 H30B . 0.99 ?
C31 C32 . 1.529(2) ?
C31 H31A . 0.99 ?
C31 H31B . 0.99 ?
C32 H32A . 0.99 ?
C32 H32B . 0.99 ?
C33 H33A . 0.98 ?
C33 H33B . 0.98 ?
C33 H33C . 0.98 ?
C34 H34A . 0.98 ?
C34 H34B . 0.98 ?
C34 H34C . 0.98 ?
C35 H35A . 0.98 ?
C35 H35B . 0.98 ?
C35 H35C . 0.98 ?
C36 H36A . 0.98 ?
C36 H36B . 0.98 ?
C36 H36C . 0.98 ?
C37 H37A . 0.98 ?
C37 H37B . 0.98 ?
C37 H37C . 0.98 ?
C38 H38A . 0.98 ?
C38 H38B . 0.98 ?
C38 H38C . 0.98 ?
C19 H19A . 0.98 ?
C19 H19B . 0.98 ?
C19 H19C . 0.98 ?
C18 H18A . 0.98 ?
C18 H18B . 0.98 ?
C18 H18C . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N4 Sn1 N2 . . 101.15(6) ?
N4 Sn1 N1 . . 95.34(6) ?
N2 Sn1 N1 . . 57.60(5) ?
N4 Sn1 N5 . . 57.72(5) ?
N2 Sn1 N5 . . 95.42(6) ?
N1 Sn1 N5 . . 139.35(5) ?
N1 C1 N2 . . 113.07(12) ?
N1 C1 N3 . . 124.22(12) ?
N2 C1 N3 . . 122.66(12) ?
N3 Si1 C14 . . 109.38(7) ?
N3 Si1 C15 . . 113.19(7) ?
C14 Si1 C15 . . 107.60(9) ?
N3 Si1 C16 . . 109.94(8) ?
C14 Si1 C16 . . 108.98(9) ?
C15 Si1 C16 . . 107.64(9) ?
C1 N1 C2 . . 121.99(11) ?
C1 N1 Sn1 . . 88.59(8) ?
C2 N1 Sn1 . . 138.60(9) ?
N3 Si2 C17 . . 109.42(7) ?
N3 Si2 C18 . . 113.57(7) ?
C17 Si2 C18 . . 107.82(8) ?
N3 Si2 C19 . . 108.48(8) ?
C17 Si2 C19 . . 109.85(9) ?
C18 Si2 C19 . . 107.65(9) ?
N1 C2 C7 . . 112.15(11) ?
N1 C2 C3 . . 109.97(11) ?
C7 C2 C3 . . 109.40(12) ?
N1 C2 H2 . . 108.4 ?
C7 C2 H2 . . 108.4 ?
C3 C2 H2 . . 108.4 ?
C1 N2 C8 . . 124.32(11) ?
C1 N2 Sn1 . . 97.88(9) ?
C8 N2 Sn1 . . 135.40(9) ?
N6 Si3 C37 . . 108.53(7) ?
N6 Si3 C38 . . 109.96(7) ?
C37 Si3 C38 . . 109.73(8) ?
N6 Si3 C36 . . 112.68(7) ?
C37 Si3 C36 . . 107.98(9) ?
C38 Si3 C36 . . 107.92(8) ?
C4 C3 C2 . . 111.02(11) ?
C4 C3 H3A . . 109.4 ?
C2 C3 H3A . . 109.4 ?
C4 C3 H3B . . 109.4 ?
C2 C3 H3B . . 109.4 ?
H3A C3 H3B . . 108.0 ?
C1 N3 Si2 . . 117.36(9) ?
C1 N3 Si1 . . 118.84(9) ?
Si2 N3 Si1 . . 123.71(7) ?
C20 N4 C21 . . 123.94(11) ?
C20 N4 Sn1 . . 98.43(9) ?
C21 N4 Sn1 . . 137.63(9) ?
N6 Si4 C35 . . 108.34(7) ?
N6 Si4 C34 . . 109.00(7) ?
C35 Si4 C34 . . 109.70(7) ?
N6 Si4 C33 . . 114.67(7) ?
C35 Si4 C33 . . 108.82(8) ?
C34 Si4 C33 . . 106.23(8) ?
C5 C4 C3 . . 111.51(13) ?
C5 C4 H4A . . 109.3 ?
C3 C4 H4A . . 109.3 ?
C5 C4 H4B . . 109.3 ?
C3 C4 H4B . . 109.3 ?
H4A C4 H4B . . 108.0 ?
C20 N5 C27 . . 121.15(11) ?
C20 N5 Sn1 . . 88.60(8) ?
C27 N5 Sn1 . . 136.91(8) ?
C4 C5 C6 . . 110.60(13) ?
C4 C5 H5A . . 109.5 ?
C6 C5 H5A . . 109.5 ?
C4 C5 H5B . . 109.5 ?
C6 C5 H5B . . 109.5 ?
H5A C5 H5B . . 108.1 ?
C20 N6 Si4 . . 117.60(9) ?
C20 N6 Si3 . . 118.69(8) ?
Si4 N6 Si3 . . 123.67(7) ?
C5 C6 C7 . . 111.14(12) ?
C5 C6 H6A . . 109.4 ?
C7 C6 H6A . . 109.4 ?
C5 C6 H6B . . 109.4 ?
C7 C6 H6B . . 109.4 ?
H6A C6 H6B . . 108.0 ?
C8 C9 C10 . . 110.94(12) ?
C8 C9 H9A . . 109.5 ?
C10 C9 H9A . . 109.5 ?
C8 C9 H9B . . 109.5 ?
C10 C9 H9B . . 109.5 ?
H9A C9 H9B . . 108.0 ?
N2 C8 C9 . . 111.47(11) ?
N2 C8 C13 . . 110.63(12) ?
C9 C8 C13 . . 109.05(12) ?
N2 C8 H8 . . 108.5 ?
C9 C8 H8 . . 108.5 ?
C13 C8 H8 . . 108.5 ?
C2 C7 C6 . . 111.21(12) ?
C2 C7 H7A . . 109.4 ?
C6 C7 H7A . . 109.4 ?
C2 C7 H7B . . 109.4 ?
C6 C7 H7B . . 109.4 ?
H7A C7 H7B . . 108.0 ?
C11 C10 C9 . . 111.27(13) ?
C11 C10 H10A . . 109.4 ?
C9 C10 H10A . . 109.4 ?
C11 C10 H10B . . 109.4 ?
C9 C10 H10B . . 109.4 ?
H10A C10 H10B . . 108.0 ?
C12 C11 C10 . . 111.30(13) ?
C12 C11 H11A . . 109.4 ?
C10 C11 H11A . . 109.4 ?
C12 C11 H11B . . 109.4 ?
C10 C11 H11B . . 109.4 ?
H11A C11 H11B . . 108.0 ?
C12 C13 C8 . . 111.19(13) ?
C12 C13 H13A . . 109.4 ?
C8 C13 H13A . . 109.4 ?
C12 C13 H13B . . 109.4 ?
C8 C13 H13B . . 109.4 ?
H13A C13 H13B . . 108.0 ?
C11 C12 C13 . . 111.74(13) ?
C11 C12 H12A . . 109.3 ?
C13 C12 H12A . . 109.3 ?
C11 C12 H12B . . 109.3 ?
C13 C12 H12B . . 109.3 ?
H12A C12 H12B . . 107.9 ?
Si1 C14 H14A . . 109.5 ?
Si1 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
Si1 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
Si2 C17 H17A . . 109.5 ?
Si2 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
Si2 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
Si1 C16 H16A . . 109.5 ?
Si1 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
Si1 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
Si1 C15 H15A . . 109.5 ?
Si1 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
Si1 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
N5 C20 N4 . . 113.25(12) ?
N5 C20 N6 . . 124.60(11) ?
N4 C20 N6 . . 122.10(12) ?
N4 C21 C26 . . 110.80(11) ?
N4 C21 C22 . . 111.38(11) ?
C26 C21 C22 . . 109.31(11) ?
N4 C21 H21 . . 108.4 ?
C26 C21 H21 . . 108.4 ?
C22 C21 H21 . . 108.4 ?
C21 C22 C23 . . 110.55(12) ?
C21 C22 H22A . . 109.5 ?
C23 C22 H22A . . 109.5 ?
C21 C22 H22B . . 109.5 ?
C23 C22 H22B . . 109.5 ?
H22A C22 H22B . . 108.1 ?
C24 C23 C22 . . 112.17(12) ?
C24 C23 H23A . . 109.2 ?
C22 C23 H23A . . 109.2 ?
C24 C23 H23B . . 109.2 ?
C22 C23 H23B . . 109.2 ?
H23A C23 H23B . . 107.9 ?
C23 C24 C25 . . 111.61(12) ?
C23 C24 H24A . . 109.3 ?
C25 C24 H24A . . 109.3 ?
C23 C24 H24B . . 109.3 ?
C25 C24 H24B . . 109.3 ?
H24A C24 H24B . . 108.0 ?
C26 C25 C24 . . 111.41(12) ?
C26 C25 H25A . . 109.3 ?
C24 C25 H25A . . 109.3 ?
C26 C25 H25B . . 109.3 ?
C24 C25 H25B . . 109.3 ?
H25A C25 H25B . . 108.0 ?
C25 C26 C21 . . 110.74(11) ?
C25 C26 H26A . . 109.5 ?
C21 C26 H26A . . 109.5 ?
C25 C26 H26B . . 109.5 ?
C21 C26 H26B . . 109.5 ?
H26A C26 H26B . . 108.1 ?
N5 C27 C32 . . 112.19(11) ?
N5 C27 C28 . . 109.99(10) ?
C32 C27 C28 . . 108.93(11) ?
N5 C27 H27 . . 108.5 ?
C32 C27 H27 . . 108.5 ?
C28 C27 H27 . . 108.5 ?
C29 C28 C27 . . 110.96(11) ?
C29 C28 H28A . . 109.4 ?
C27 C28 H28A . . 109.4 ?
C29 C28 H28B . . 109.4 ?
C27 C28 H28B . . 109.4 ?
H28A C28 H28B . . 108.0 ?
C30 C29 C28 . . 111.42(12) ?
C30 C29 H29A . . 109.3 ?
C28 C29 H29A . . 109.3 ?
C30 C29 H29B . . 109.3 ?
C28 C29 H29B . . 109.3 ?
H29A C29 H29B . . 108.0 ?
C29 C30 C31 . . 110.47(12) ?
C29 C30 H30A . . 109.6 ?
C31 C30 H30A . . 109.6 ?
C29 C30 H30B . . 109.6 ?
C31 C30 H30B . . 109.6 ?
H30A C30 H30B . . 108.1 ?
C32 C31 C30 . . 111.27(12) ?
C32 C31 H31A . . 109.4 ?
C30 C31 H31A . . 109.4 ?
C32 C31 H31B . . 109.4 ?
C30 C31 H31B . . 109.4 ?
H31A C31 H31B . . 108.0 ?
C31 C32 C27 . . 110.97(11) ?
C31 C32 H32A . . 109.4 ?
C27 C32 H32A . . 109.4 ?
C31 C32 H32B . . 109.4 ?
C27 C32 H32B . . 109.4 ?
H32A C32 H32B . . 108.0 ?
Si4 C33 H33A . . 109.5 ?
Si4 C33 H33B . . 109.5 ?
H33A C33 H33B . . 109.5 ?
Si4 C33 H33C . . 109.5 ?
H33A C33 H33C . . 109.5 ?
H33B C33 H33C . . 109.5 ?
Si4 C34 H34A . . 109.5 ?
Si4 C34 H34B . . 109.5 ?
H34A C34 H34B . . 109.5 ?
Si4 C34 H34C . . 109.5 ?
H34A C34 H34C . . 109.5 ?
H34B C34 H34C . . 109.5 ?
Si4 C35 H35A . . 109.5 ?
Si4 C35 H35B . . 109.5 ?
H35A C35 H35B . . 109.5 ?
Si4 C35 H35C . . 109.5 ?
H35A C35 H35C . . 109.5 ?
H35B C35 H35C . . 109.5 ?
Si3 C36 H36A . . 109.5 ?
Si3 C36 H36B . . 109.5 ?
H36A C36 H36B . . 109.5 ?
Si3 C36 H36C . . 109.5 ?
H36A C36 H36C . . 109.5 ?
H36B C36 H36C . . 109.5 ?
Si3 C37 H37A . . 109.5 ?
Si3 C37 H37B . . 109.5 ?
H37A C37 H37B . . 109.5 ?
Si3 C37 H37C . . 109.5 ?
H37A C37 H37C . . 109.5 ?
H37B C37 H37C . . 109.5 ?
Si3 C38 H38A . . 109.5 ?
Si3 C38 H38B . . 109.5 ?
H38A C38 H38B . . 109.5 ?
Si3 C38 H38C . . 109.5 ?
H38A C38 H38C . . 109.5 ?
H38B C38 H38C . . 109.5 ?
Si2 C19 H19A . . 109.5 ?
Si2 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
Si2 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
Si2 C18 H18A . . 109.5 ?
Si2 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
Si2 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N2 C1 N1 C2 . . . . -165.67(11) ?
N3 C1 N1 C2 . . . . 11.75(19) ?
N2 C1 N1 Sn1 . . . . -15.30(10) ?
N3 C1 N1 Sn1 . . . . 162.12(11) ?
C1 N1 C2 C7 . . . . -107.36(14) ?
Sn1 N1 C2 C7 . . . . 121.00(12) ?
C1 N1 C2 C3 . . . . 130.66(13) ?
Sn1 N1 C2 C3 . . . . -0.97(18) ?
N1 C1 N2 C8 . . . . -178.22(11) ?
N3 C1 N2 C8 . . . . 4.32(19) ?
N1 C1 N2 Sn1 . . . . 17.03(11) ?
N3 C1 N2 Sn1 . . . . -160.43(10) ?
N1 C2 C3 C4 . . . . -179.17(11) ?
C7 C2 C3 C4 . . . . 57.24(15) ?
N1 C1 N3 Si2 . . . . -92.62(14) ?
N2 C1 N3 Si2 . . . . 84.56(14) ?
N1 C1 N3 Si1 . . . . 90.73(14) ?
N2 C1 N3 Si1 . . . . -92.09(14) ?
C17 Si2 N3 C1 . . . . 19.21(12) ?
C18 Si2 N3 C1 . . . . -101.31(11) ?
C19 Si2 N3 C1 . . . . 139.04(11) ?
C17 Si2 N3 Si1 . . . . -164.32(8) ?
C18 Si2 N3 Si1 . . . . 75.16(10) ?
C19 Si2 N3 Si1 . . . . -44.49(11) ?
C14 Si1 N3 C1 . . . . 3.91(12) ?
C15 Si1 N3 C1 . . . . -116.05(12) ?
C16 Si1 N3 C1 . . . . 123.55(11) ?
C14 Si1 N3 Si2 . . . . -172.51(8) ?
C15 Si1 N3 Si2 . . . . 67.53(11) ?
C16 Si1 N3 Si2 . . . . -52.87(11) ?
C2 C3 C4 C5 . . . . -56.81(17) ?
C3 C4 C5 C6 . . . . 55.24(18) ?
C35 Si4 N6 C20 . . . . 22.27(11) ?
C34 Si4 N6 C20 . . . . 141.60(10) ?
C33 Si4 N6 C20 . . . . -99.48(11) ?
C35 Si4 N6 Si3 . . . . -160.09(8) ?
C34 Si4 N6 Si3 . . . . -40.77(10) ?
C33 Si4 N6 Si3 . . . . 78.15(10) ?
C37 Si3 N6 C20 . . . . 128.56(11) ?
C38 Si3 N6 C20 . . . . 8.52(11) ?
C36 Si3 N6 C20 . . . . -111.91(11) ?
C37 Si3 N6 Si4 . . . . -49.06(10) ?
C38 Si3 N6 Si4 . . . . -169.09(8) ?
C36 Si3 N6 Si4 . . . . 70.48(11) ?
C4 C5 C6 C7 . . . . -55.22(18) ?
C1 N2 C8 C9 . . . . 119.28(14) ?
Sn1 N2 C8 C9 . . . . -82.50(15) ?
C1 N2 C8 C13 . . . . -119.20(13) ?
Sn1 N2 C8 C13 . . . . 39.02(16) ?
C10 C9 C8 N2 . . . . -179.08(11) ?
C10 C9 C8 C13 . . . . 58.48(15) ?
N1 C2 C7 C6 . . . . -179.84(12) ?
C3 C2 C7 C6 . . . . -57.54(16) ?
C5 C6 C7 C2 . . . . 57.21(18) ?
C8 C9 C10 C11 . . . . -57.18(17) ?
C9 C10 C11 C12 . . . . 54.03(17) ?
N2 C8 C13 C12 . . . . 179.16(11) ?
C9 C8 C13 C12 . . . . -57.91(15) ?
C10 C11 C12 C13 . . . . -53.58(17) ?
C8 C13 C12 C11 . . . . 56.10(16) ?
C27 N5 C20 N4 . . . . -159.78(11) ?
Sn1 N5 C20 N4 . . . . -12.77(10) ?
C27 N5 C20 N6 . . . . 17.55(18) ?
Sn1 N5 C20 N6 . . . . 164.57(11) ?
C21 N4 C20 N5 . . . . -166.03(11) ?
Sn1 N4 C20 N5 . . . . 14.31(11) ?
C21 N4 C20 N6 . . . . 16.56(18) ?
Sn1 N4 C20 N6 . . . . -163.10(10) ?
Si4 N6 C20 N5 . . . . -102.07(13) ?
Si3 N6 C20 N5 . . . . 80.17(14) ?
Si4 N6 C20 N4 . . . . 75.04(14) ?
Si3 N6 C20 N4 . . . . -102.72(13) ?
C20 N4 C21 C26 . . . . 109.93(14) ?
Sn1 N4 C21 C26 . . . . -70.57(16) ?
C20 N4 C21 C22 . . . . -128.15(13) ?
Sn1 N4 C21 C22 . . . . 51.35(16) ?
N4 C21 C22 C23 . . . . 178.61(11) ?
C26 C21 C22 C23 . . . . -58.61(14) ?
C21 C22 C23 C24 . . . . 55.54(16) ?
C22 C23 C24 C25 . . . . -52.33(17) ?
C23 C24 C25 C26 . . . . 52.84(16) ?
C24 C25 C26 C21 . . . . -57.05(15) ?
N4 C21 C26 C25 . . . . -177.20(10) ?
C22 C21 C26 C25 . . . . 59.69(14) ?
C20 N5 C27 C32 . . . . -115.96(13) ?
Sn1 N5 C27 C32 . . . . 116.87(12) ?
C20 N5 C27 C28 . . . . 122.63(12) ?
Sn1 N5 C27 C28 . . . . -4.55(16) ?
N5 C27 C28 C29 . . . . -178.54(10) ?
C32 C27 C28 C29 . . . . 58.12(14) ?
C27 C28 C29 C30 . . . . -57.33(15) ?
C28 C29 C30 C31 . . . . 55.00(16) ?
C29 C30 C31 C32 . . . . -55.09(16) ?
C30 C31 C32 C27 . . . . 57.61(16) ?
N5 C27 C32 C31 . . . . 179.66(11) ?
C28 C27 C32 C31 . . . . -58.31(15) ?


_chemical_properties_physical    Air-sensitive,Moisture-sensitive
