# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_p-1
_database_code_depnum_ccdc_archive 'CCDC 2378870'
loop_
_audit_author_name
_audit_author_address
'Timothy Quek'
;VISTEC
Singapore
;
_audit_update_record             
;
2024-08-21 deposited with the CCDC.	2025-02-24 downloaded from the CCDC.
;
_audit_creation_date             2021-05-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H44 N2 O Si2 Sn'
_chemical_formula_sum            'C27 H44 N2 O Si2 Sn'
_chemical_formula_weight         587.51
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.5233(6)
_cell_length_b                   12.0193(8)
_cell_length_c                   14.3481(10)
_cell_angle_alpha                113.875(2)
_cell_angle_beta                 100.693(3)
_cell_angle_gamma                90.640(2)
_cell_volume                     1468.90(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9942
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.08
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   0.968
_shelx_estimated_absorpt_T_min   0.771
_exptl_absorpt_coefficient_mu    0.972
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1102 before and 0.0611 after correction.
The Ratio of minimum to maximum transmission is 0.9135.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.282
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.034
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            55801
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.699
_diffrn_reflns_theta_min         2.186
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6829
_reflns_number_total             7602
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.235
_refine_diff_density_min         -0.893
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         7602
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0272
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0527P)²+0.5679P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0800
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C21(H21), C20(H20), C19(H19), C18(H18), C17(H17), C7(H7), C3(H3), C5(H5)
2.b Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C22(H22A,H22B,H22C), C27(H27A,H27B,
 H27C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C13(H13A,H13B,H13C), C14(H14A,
 H14B,H14C), C15(H15A,H15B,H15C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.57745(2) 0.72779(2) 0.58482(2) 0.01132(5) Uani 1 1 d . . . . .
Si1 Si 0.89516(6) 0.89111(5) 0.72697(4) 0.01325(11) Uani 1 1 d . . . . .
Si2 Si 0.66482(6) 0.85810(5) 0.83514(4) 0.01493(12) Uani 1 1 d . . . . .
O1 O 0.67620(16) 0.77103(13) 0.48417(11) 0.0149(3) Uani 1 1 d . . . . .
N2 N 0.72913(18) 0.82588(15) 0.72228(13) 0.0132(3) Uani 1 1 d . . . . .
N1 N 0.71009(17) 0.56085(15) 0.53159(13) 0.0120(3) Uani 1 1 d . . . . .
C23 C 0.8766(2) 1.04281(19) 0.72014(18) 0.0198(4) Uani 1 1 d . . . . .
H23A H 0.800413 1.034301 0.662841 0.030 Uiso 1 1 calc R U . . .
H23B H 0.964902 1.071159 0.710191 0.030 Uiso 1 1 calc R U . . .
H23C H 0.854904 1.100680 0.783907 0.030 Uiso 1 1 calc R U . . .
C24 C 1.0256(2) 0.9226(2) 0.85177(18) 0.0232(5) Uani 1 1 d . . . . .
H24A H 0.987188 0.976565 0.909414 0.035 Uiso 1 1 calc R U . . .
H24B H 1.114820 0.960171 0.851384 0.035 Uiso 1 1 calc R U . . .
H24C H 1.041530 0.847216 0.858470 0.035 Uiso 1 1 calc R U . . .
C22 C 0.9865(2) 0.7880(2) 0.62357(18) 0.0219(4) Uani 1 1 d . . . . .
H22A H 0.988183 0.709161 0.625617 0.033 Uiso 1 1 calc R U . . .
H22B H 1.083073 0.822455 0.635623 0.033 Uiso 1 1 calc R U . . .
H22C H 0.935095 0.779511 0.556464 0.033 Uiso 1 1 calc R U . . .
C27 C 0.4700(2) 0.8002(2) 0.80427(18) 0.0221(5) Uani 1 1 d . . . . .
H27A H 0.415785 0.832023 0.758708 0.033 Uiso 1 1 calc R U . . .
H27B H 0.434737 0.826531 0.867611 0.033 Uiso 1 1 calc R U . . .
H27C H 0.460022 0.712518 0.770736 0.033 Uiso 1 1 calc R U . . .
C25 C 0.6759(3) 1.0263(2) 0.91686(18) 0.0226(5) Uani 1 1 d . . . . .
H25A H 0.774506 1.059684 0.938731 0.034 Uiso 1 1 calc R U . . .
H25B H 0.636149 1.040248 0.976999 0.034 Uiso 1 1 calc R U . . .
H25C H 0.622731 1.065229 0.876752 0.034 Uiso 1 1 calc R U . . .
C26 C 0.7576(3) 0.7819(2) 0.91698(18) 0.0256(5) Uani 1 1 d . . . . .
H26A H 0.751225 0.695403 0.875766 0.038 Uiso 1 1 calc R U . . .
H26B H 0.712392 0.797316 0.974980 0.038 Uiso 1 1 calc R U . . .
H26C H 0.856652 0.813842 0.942191 0.038 Uiso 1 1 calc R U . . .
C16 C 0.7422(2) 0.49260(17) 0.59383(15) 0.0117(4) Uani 1 1 d . . . . .
C21 C 0.8645(2) 0.43012(19) 0.59336(16) 0.0164(4) Uani 1 1 d . . . . .
H21 H 0.930654 0.435027 0.554617 0.020 Uiso 1 1 calc R U . . .
C20 C 0.8874(2) 0.3604(2) 0.65097(17) 0.0201(4) Uani 1 1 d . . . . .
H20 H 0.968250 0.317570 0.649708 0.024 Uiso 1 1 calc R U . . .
C19 C 0.7904(2) 0.3544(2) 0.71038(17) 0.0202(4) Uani 1 1 d . . . . .
H19 H 0.805415 0.306500 0.747883 0.024 Uiso 1 1 calc R U . . .
C18 C 0.6712(2) 0.41985(19) 0.71369(16) 0.0175(4) Uani 1 1 d . . . . .
H18 H 0.607330 0.417340 0.754725 0.021 Uiso 1 1 calc R U . . .
C17 C 0.6468(2) 0.48935(18) 0.65578(15) 0.0145(4) Uani 1 1 d . . . . .
H17 H 0.567045 0.533571 0.658418 0.017 Uiso 1 1 calc R U . . .
C7 C 0.7427(2) 0.51823(17) 0.44040(15) 0.0114(3) Uani 1 1 d . . . . .
H7 H 0.779675 0.442669 0.419525 0.014 Uiso 1 1 calc R U . . .
C2 C 0.7283(2) 0.57411(17) 0.36746(15) 0.0117(4) Uani 1 1 d . . . . .
C3 C 0.7534(2) 0.49839(18) 0.26798(15) 0.0126(4) Uani 1 1 d . . . . .
H3 H 0.774246 0.418578 0.254425 0.015 Uiso 1 1 calc R U . . .
C4 C 0.7480(2) 0.53931(18) 0.19065(15) 0.0123(4) Uani 1 1 d . . . . .
C5 C 0.7196(2) 0.66158(18) 0.21652(15) 0.0127(4) Uani 1 1 d . . . . .
H5 H 0.715640 0.690776 0.165247 0.015 Uiso 1 1 calc R U . . .
C6 C 0.6971(2) 0.74214(17) 0.31315(15) 0.0114(4) Uani 1 1 d . . . . .
C9 C 0.6680(2) 0.87509(18) 0.33418(16) 0.0146(4) Uani 1 1 d . . . . .
C13 C 0.5156(3) 0.8962(2) 0.3544(2) 0.0243(5) Uani 1 1 d . . . . .
H13A H 0.447261 0.839583 0.295451 0.036 Uiso 1 1 calc R U . . .
H13B H 0.496671 0.978287 0.364928 0.036 Uiso 1 1 calc R U . . .
H13C H 0.507590 0.883978 0.415349 0.036 Uiso 1 1 calc R U . . .
C14 C 0.6776(2) 0.9036(2) 0.24018(17) 0.0197(4) Uani 1 1 d . . . . .
H14A H 0.771788 0.890972 0.225187 0.030 Uiso 1 1 calc R U . . .
H14B H 0.659733 0.987076 0.255975 0.030 Uiso 1 1 calc R U . . .
H14C H 0.607341 0.850477 0.180672 0.030 Uiso 1 1 calc R U . . .
C15 C 0.7793(3) 0.9638(2) 0.42717(18) 0.0248(5) Uani 1 1 d . . . . .
H15A H 0.776072 0.948406 0.487394 0.037 Uiso 1 1 calc R U . . .
H15B H 0.758452 1.046295 0.440840 0.037 Uiso 1 1 calc R U . . .
H15C H 0.873337 0.952547 0.411659 0.037 Uiso 1 1 calc R U . . .
C1 C 0.6982(2) 0.69749(17) 0.39125(15) 0.0116(4) Uani 1 1 d . . . . .
C8 C 0.7706(2) 0.45541(19) 0.08183(16) 0.0159(4) Uani 1 1 d . . . . .
C11 C 0.8935(3) 0.3764(2) 0.08967(19) 0.0321(6) Uani 1 1 d . . . . .
H11A H 0.980218 0.428146 0.129482 0.048 Uiso 1 1 calc R U . . .
H11B H 0.906817 0.325347 0.021020 0.048 Uiso 1 1 calc R U . . .
H11C H 0.870392 0.326079 0.123416 0.048 Uiso 1 1 calc R U . . .
C12 C 0.8065(3) 0.5277(2) 0.02162(18) 0.0256(5) Uani 1 1 d . . . . .
H12A H 0.726035 0.570672 0.008689 0.038 Uiso 1 1 calc R U . . .
H12B H 0.827213 0.472593 -0.043516 0.038 Uiso 1 1 calc R U . . .
H12C H 0.888649 0.585267 0.061809 0.038 Uiso 1 1 calc R U . . .
C10 C 0.6322(3) 0.3709(2) 0.01980(19) 0.0299(5) Uani 1 1 d . . . . .
H10A H 0.612148 0.320371 0.054094 0.045 Uiso 1 1 calc R U . . .
H10B H 0.644292 0.320125 -0.049257 0.045 Uiso 1 1 calc R U . . .
H10C H 0.553816 0.419400 0.015818 0.045 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 O1 2.0835(14) . ?
Sn1 N2 2.0950(17) . ?
Sn1 N1 2.3193(16) . ?
Si1 N2 1.7348(17) . ?
Si1 C23 1.874(2) . ?
Si1 C24 1.873(2) . ?
Si1 C22 1.873(2) . ?
Si2 N2 1.7358(17) . ?
Si2 C27 1.881(2) . ?
Si2 C25 1.872(2) . ?
Si2 C26 1.871(2) . ?
O1 C1 1.325(2) . ?
N1 C16 1.436(2) . ?
N1 C7 1.297(2) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C16 C21 1.393(3) . ?
C16 C17 1.394(3) . ?
C21 H21 0.9300 . ?
C21 C20 1.389(3) . ?
C20 H20 0.9300 . ?
C20 C19 1.388(3) . ?
C19 H19 0.9300 . ?
C19 C18 1.386(3) . ?
C18 H18 0.9300 . ?
C18 C17 1.392(3) . ?
C17 H17 0.9300 . ?
C7 H7 0.9300 . ?
C7 C2 1.443(3) . ?
C2 C3 1.415(3) . ?
C2 C1 1.426(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.377(3) . ?
C4 C5 1.405(3) . ?
C4 C8 1.535(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.391(3) . ?
C6 C9 1.540(3) . ?
C6 C1 1.424(3) . ?
C9 C13 1.537(3) . ?
C9 C14 1.537(3) . ?
C9 C15 1.530(3) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C8 C11 1.532(3) . ?
C8 C12 1.526(3) . ?
C8 C10 1.538(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sn1 N2 97.65(6) . . ?
O1 Sn1 N1 81.41(6) . . ?
N2 Sn1 N1 93.81(6) . . ?
N2 Si1 C23 110.25(9) . . ?
N2 Si1 C24 112.51(10) . . ?
N2 Si1 C22 112.57(9) . . ?
C24 Si1 C23 105.78(10) . . ?
C24 Si1 C22 104.08(11) . . ?
C22 Si1 C23 111.32(10) . . ?
N2 Si2 C27 111.29(9) . . ?
N2 Si2 C25 112.11(9) . . ?
N2 Si2 C26 113.21(10) . . ?
C25 Si2 C27 106.06(11) . . ?
C26 Si2 C27 104.65(11) . . ?
C26 Si2 C25 109.03(11) . . ?
C1 O1 Sn1 128.62(12) . . ?
Si1 N2 Sn1 124.39(9) . . ?
Si1 N2 Si2 120.96(10) . . ?
Si2 N2 Sn1 113.94(9) . . ?
C16 N1 Sn1 120.18(12) . . ?
C7 N1 Sn1 121.30(13) . . ?
C7 N1 C16 118.04(16) . . ?
Si1 C23 H23A 109.5 . . ?
Si1 C23 H23B 109.5 . . ?
Si1 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si1 C22 H22A 109.5 . . ?
Si1 C22 H22B 109.5 . . ?
Si1 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si2 C25 H25A 109.5 . . ?
Si2 C25 H25B 109.5 . . ?
Si2 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si2 C26 H26A 109.5 . . ?
Si2 C26 H26B 109.5 . . ?
Si2 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C21 C16 N1 121.88(17) . . ?
C21 C16 C17 119.80(18) . . ?
C17 C16 N1 118.32(17) . . ?
C16 C21 H21 120.1 . . ?
C20 C21 C16 119.77(19) . . ?
C20 C21 H21 120.1 . . ?
C21 C20 H20 119.8 . . ?
C19 C20 C21 120.4(2) . . ?
C19 C20 H20 119.8 . . ?
C20 C19 H19 120.1 . . ?
C18 C19 C20 119.82(19) . . ?
C18 C19 H19 120.1 . . ?
C19 C18 H18 119.9 . . ?
C19 C18 C17 120.20(19) . . ?
C17 C18 H18 119.9 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 119.91(19) . . ?
C18 C17 H17 120.0 . . ?
N1 C7 H7 116.1 . . ?
N1 C7 C2 127.72(18) . . ?
C2 C7 H7 116.1 . . ?
C3 C2 C7 114.87(17) . . ?
C3 C2 C1 120.39(17) . . ?
C1 C2 C7 124.67(17) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 C2 122.00(18) . . ?
C4 C3 H3 119.0 . . ?
C3 C4 C5 116.42(17) . . ?
C3 C4 C8 121.69(17) . . ?
C5 C4 C8 121.88(17) . . ?
C4 C5 H5 117.6 . . ?
C6 C5 C4 124.83(18) . . ?
C6 C5 H5 117.6 . . ?
C5 C6 C9 120.90(17) . . ?
C5 C6 C1 118.16(17) . . ?
C1 C6 C9 120.92(17) . . ?
C13 C9 C6 109.74(16) . . ?
C13 C9 C14 107.26(17) . . ?
C14 C9 C6 111.58(16) . . ?
C15 C9 C6 110.22(17) . . ?
C15 C9 C13 110.60(19) . . ?
C15 C9 C14 107.39(17) . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O1 C1 C2 121.73(17) . . ?
O1 C1 C6 120.09(17) . . ?
C6 C1 C2 118.14(17) . . ?
C4 C8 C10 108.93(17) . . ?
C11 C8 C4 110.68(17) . . ?
C11 C8 C10 108.6(2) . . ?
C12 C8 C4 112.02(17) . . ?
C12 C8 C11 108.00(19) . . ?
C12 C8 C10 108.48(19) . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sn1 O1 C1 C2 -34.4(3) . . . . ?
Sn1 O1 C1 C6 147.77(14) . . . . ?
Sn1 N1 C16 C21 -151.91(15) . . . . ?
Sn1 N1 C16 C17 28.3(2) . . . . ?
Sn1 N1 C7 C2 11.8(3) . . . . ?
N1 C16 C21 C20 -176.85(19) . . . . ?
N1 C16 C17 C18 177.24(18) . . . . ?
N1 C7 C2 C3 -171.43(19) . . . . ?
N1 C7 C2 C1 11.5(3) . . . . ?
C23 Si1 N2 Sn1 82.22(13) . . . . ?
C23 Si1 N2 Si2 -87.58(13) . . . . ?
C24 Si1 N2 Sn1 -159.95(11) . . . . ?
C24 Si1 N2 Si2 30.24(15) . . . . ?
C22 Si1 N2 Sn1 -42.73(14) . . . . ?
C22 Si1 N2 Si2 147.47(12) . . . . ?
C27 Si2 N2 Sn1 -1.98(13) . . . . ?
C27 Si2 N2 Si1 168.82(11) . . . . ?
C25 Si2 N2 Sn1 -120.58(11) . . . . ?
C25 Si2 N2 Si1 50.22(14) . . . . ?
C26 Si2 N2 Sn1 115.56(11) . . . . ?
C26 Si2 N2 Si1 -73.64(14) . . . . ?
C16 N1 C7 C2 -176.10(18) . . . . ?
C16 C21 C20 C19 -1.1(3) . . . . ?
C21 C16 C17 C18 -2.5(3) . . . . ?
C21 C20 C19 C18 -1.1(3) . . . . ?
C20 C19 C18 C17 1.5(3) . . . . ?
C19 C18 C17 C16 0.3(3) . . . . ?
C17 C16 C21 C20 2.9(3) . . . . ?
C7 N1 C16 C21 35.9(3) . . . . ?
C7 N1 C16 C17 -143.87(19) . . . . ?
C7 C2 C3 C4 -178.10(18) . . . . ?
C7 C2 C1 O1 -2.2(3) . . . . ?
C7 C2 C1 C6 175.66(18) . . . . ?
C2 C3 C4 C5 1.6(3) . . . . ?
C2 C3 C4 C8 -178.02(18) . . . . ?
C3 C2 C1 O1 -179.03(18) . . . . ?
C3 C2 C1 C6 -1.2(3) . . . . ?
C3 C4 C5 C6 -0.1(3) . . . . ?
C3 C4 C8 C11 -41.5(3) . . . . ?
C3 C4 C8 C12 -162.1(2) . . . . ?
C3 C4 C8 C10 77.9(2) . . . . ?
C4 C5 C6 C9 179.45(18) . . . . ?
C4 C5 C6 C1 -2.0(3) . . . . ?
C5 C4 C8 C11 139.0(2) . . . . ?
C5 C4 C8 C12 18.4(3) . . . . ?
C5 C4 C8 C10 -101.7(2) . . . . ?
C5 C6 C9 C13 115.2(2) . . . . ?
C5 C6 C9 C14 -3.6(3) . . . . ?
C5 C6 C9 C15 -122.8(2) . . . . ?
C5 C6 C1 O1 -179.56(17) . . . . ?
C5 C6 C1 C2 2.6(3) . . . . ?
C9 C6 C1 O1 -1.1(3) . . . . ?
C9 C6 C1 C2 -178.91(17) . . . . ?
C1 C2 C3 C4 -0.9(3) . . . . ?
C1 C6 C9 C13 -63.3(2) . . . . ?
C1 C6 C9 C14 177.95(18) . . . . ?
C1 C6 C9 C15 58.7(2) . . . . ?
C8 C4 C5 C6 179.53(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_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_p21_c
_database_code_depnum_ccdc_archive 'CCDC 2378875'
loop_
_audit_author_name
_audit_author_address
'Timothy Quek'
;VISTEC
Singapore
;
_audit_update_record             
;
2024-08-21 deposited with the CCDC.	2025-02-24 downloaded from the CCDC.
;
_audit_creation_date             2021-05-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H46 N2 O2 Si2 Sn'
_chemical_formula_sum            'C28 H46 N2 O2 Si2 Sn'
_chemical_formula_weight         617.54
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.5296(8)
_cell_length_b                   9.2642(7)
_cell_length_c                   31.659(3)
_cell_angle_alpha                90
_cell_angle_beta                 94.528(3)
_cell_angle_gamma                90
_cell_volume                     3078.7(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9787
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.76
_cell_measurement_theta_min      2.55
_shelx_estimated_absorpt_T_max   0.989
_shelx_estimated_absorpt_T_min   0.920
_exptl_absorpt_coefficient_mu    0.934
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1250 before and 0.0661 after correction.
The Ratio of minimum to maximum transmission is 0.9325.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.091
_exptl_crystal_size_mid          0.081
_exptl_crystal_size_min          0.012
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1243
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            92618
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         1.940
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5075
_reflns_number_total             6075
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     329
_refine_ls_number_reflns         6075
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0250
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0200P)²+0.9650P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0489
_refine_ls_wR_factor_ref         0.0510
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C3(H3), C7(H7), C21(H21), C20(H20), C18(H18), C17(H17)
2.b Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C26(H26A,H26B,H26C), C28(H28A,H28B,H28C), C24(H24A,H24B,
 H24C), C23(H23A,H23B,H23C), C25(H25A,H25B,H25C), C14(H14A,H14B,H14C), C13(H13A,
 H13B,H13C), C15(H15A,H15B,H15C), C22(H22A,H22B,H22C), C10(H10A,H10B,H10C),
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.68958(2) 0.48659(2) 0.65705(2) 0.01146(5) Uani 1 1 d . . . . .
Si1 Si 0.71886(6) 0.34069(6) 0.55862(2) 0.01498(14) Uani 1 1 d . . . . .
Si2 Si 0.92054(5) 0.54034(6) 0.59796(2) 0.01580(14) Uani 1 1 d . . . . .
O1 O 0.61835(12) 0.27842(15) 0.66265(5) 0.0142(3) Uani 1 1 d . . . . .
O2 O 0.35931(14) 1.03330(15) 0.53751(5) 0.0188(3) Uani 1 1 d . . . . .
N2 N 0.77689(15) 0.45018(18) 0.60037(5) 0.0121(4) Uani 1 1 d . . . . .
N1 N 0.48556(15) 0.53417(17) 0.62963(5) 0.0119(4) Uani 1 1 d . . . . .
C27 C 0.7990(2) 0.1615(2) 0.55923(8) 0.0263(6) Uani 1 1 d . . . . .
H27A H 0.888213 0.174497 0.556047 0.039 Uiso 1 1 calc R U . . .
H27B H 0.761981 0.103607 0.536302 0.039 Uiso 1 1 calc R U . . .
H27C H 0.788204 0.113930 0.585645 0.039 Uiso 1 1 calc R U . . .
C26 C 0.5450(2) 0.3061(3) 0.55814(7) 0.0242(6) Uani 1 1 d . . . . .
H26A H 0.526955 0.258394 0.583912 0.036 Uiso 1 1 calc R U . . .
H26B H 0.518346 0.245912 0.534386 0.036 Uiso 1 1 calc R U . . .
H26C H 0.499767 0.396097 0.555867 0.036 Uiso 1 1 calc R U . . .
C28 C 0.7409(2) 0.4283(3) 0.50631(7) 0.0259(6) Uani 1 1 d . . . . .
H28A H 0.693453 0.516796 0.504120 0.039 Uiso 1 1 calc R U . . .
H28B H 0.710917 0.364502 0.483785 0.039 Uiso 1 1 calc R U . . .
H28C H 0.829641 0.448355 0.504234 0.039 Uiso 1 1 calc R U . . .
C24 C 0.9040(2) 0.7147(3) 0.56845(9) 0.0363(7) Uani 1 1 d . . . . .
H24A H 0.869996 0.696601 0.539908 0.055 Uiso 1 1 calc R U . . .
H24B H 0.986023 0.759679 0.568081 0.055 Uiso 1 1 calc R U . . .
H24C H 0.847465 0.777354 0.582185 0.055 Uiso 1 1 calc R U . . .
C23 C 0.9939(2) 0.5857(3) 0.65213(8) 0.0278(6) Uani 1 1 d . . . . .
H23A H 0.943030 0.657519 0.664734 0.042 Uiso 1 1 calc R U . . .
H23B H 1.078358 0.622505 0.650018 0.042 Uiso 1 1 calc R U . . .
H23C H 0.997768 0.500466 0.669413 0.042 Uiso 1 1 calc R U . . .
C25 C 1.0425(2) 0.4290(3) 0.57273(7) 0.0230(5) Uani 1 1 d . . . . .
H25A H 1.058971 0.342414 0.588922 0.035 Uiso 1 1 calc R U . . .
H25B H 1.119909 0.483322 0.571986 0.035 Uiso 1 1 calc R U . . .
H25C H 1.011078 0.404110 0.544377 0.035 Uiso 1 1 calc R U . . .
C1 C 0.50305(18) 0.2322(2) 0.67079(6) 0.0110(4) Uani 1 1 d . . . . .
C6 C 0.48833(18) 0.0962(2) 0.69079(6) 0.0103(4) Uani 1 1 d . . . . .
C9 C 0.60406(18) 0.0010(2) 0.70422(7) 0.0138(4) Uani 1 1 d . . . . .
C14 C 0.67674(19) -0.0361(2) 0.66567(7) 0.0184(5) Uani 1 1 d . . . . .
H14A H 0.620682 -0.084346 0.644842 0.028 Uiso 1 1 calc R U . . .
H14B H 0.747095 -0.098238 0.674215 0.028 Uiso 1 1 calc R U . . .
H14C H 0.708061 0.051005 0.653767 0.028 Uiso 1 1 calc R U . . .
C13 C 0.5651(2) -0.1414(2) 0.72397(7) 0.0184(5) Uani 1 1 d . . . . .
H13A H 0.511404 -0.194824 0.703632 0.028 Uiso 1 1 calc R U . . .
H13B H 0.519467 -0.121713 0.748421 0.028 Uiso 1 1 calc R U . . .
H13C H 0.639863 -0.196971 0.732255 0.028 Uiso 1 1 calc R U . . .
C15 C 0.6919(2) 0.0806(2) 0.73789(7) 0.0202(5) Uani 1 1 d . . . . .
H15A H 0.763862 0.020746 0.746342 0.030 Uiso 1 1 calc R U . . .
H15B H 0.645575 0.101469 0.762101 0.030 Uiso 1 1 calc R U . . .
H15C H 0.720867 0.169174 0.726180 0.030 Uiso 1 1 calc R U . . .
C5 C 0.36629(19) 0.0523(2) 0.69806(6) 0.0120(4) Uani 1 1 d . . . . .
H5 H 0.357197 -0.036312 0.711268 0.014 Uiso 1 1 calc R U . . .
C4 C 0.25525(18) 0.1320(2) 0.68695(6) 0.0111(4) Uani 1 1 d . . . . .
C3 C 0.27172(18) 0.2620(2) 0.66736(6) 0.0122(4) Uani 1 1 d . . . . .
H3 H 0.200294 0.317388 0.659218 0.015 Uiso 1 1 calc R U . . .
C2 C 0.39263(18) 0.3145(2) 0.65911(6) 0.0112(4) Uani 1 1 d . . . . .
C7 C 0.39123(19) 0.4516(2) 0.63776(7) 0.0124(5) Uani 1 1 d . . . . .
H7 H 0.310886 0.485910 0.628413 0.015 Uiso 1 1 calc R U . . .
C16 C 0.45517(19) 0.6679(2) 0.60856(7) 0.0120(4) Uani 1 1 d . . . . .
C21 C 0.35190(19) 0.7508(2) 0.61859(7) 0.0150(5) Uani 1 1 d . . . . .
H21 H 0.304732 0.722500 0.640794 0.018 Uiso 1 1 calc R U . . .
C20 C 0.3181(2) 0.8745(2) 0.59621(7) 0.0158(5) Uani 1 1 d . . . . .
H20 H 0.248455 0.928800 0.603183 0.019 Uiso 1 1 calc R U . . .
C19 C 0.38878(19) 0.9173(2) 0.56317(7) 0.0136(5) Uani 1 1 d . . . . .
C18 C 0.49713(19) 0.8400(2) 0.55458(7) 0.0146(5) Uani 1 1 d . . . . .
H18 H 0.547702 0.872126 0.533692 0.018 Uiso 1 1 calc R U . . .
C17 C 0.52964(19) 0.7161(2) 0.57695(7) 0.0123(5) Uani 1 1 d . . . . .
H17 H 0.601718 0.664421 0.570919 0.015 Uiso 1 1 calc R U . . .
C22 C 0.2537(2) 1.1206(2) 0.54725(8) 0.0239(6) Uani 1 1 d . . . . .
H22A H 0.176960 1.064463 0.543965 0.036 Uiso 1 1 calc R U . . .
H22B H 0.246628 1.201797 0.528375 0.036 Uiso 1 1 calc R U . . .
H22C H 0.266677 1.154175 0.575950 0.036 Uiso 1 1 calc R U . . .
C8 C 0.12190(19) 0.0816(2) 0.69688(7) 0.0150(5) Uani 1 1 d . . . . .
C10 C 0.0739(2) 0.1804(3) 0.73065(8) 0.0271(6) Uani 1 1 d . . . . .
H10A H -0.010727 0.151982 0.736430 0.041 Uiso 1 1 calc R U . . .
H10B H 0.072652 0.278285 0.720683 0.041 Uiso 1 1 calc R U . . .
H10C H 0.129364 0.173157 0.756114 0.041 Uiso 1 1 calc R U . . .
C11 C 0.0303(2) 0.0878(3) 0.65709(8) 0.0331(7) Uani 1 1 d . . . . .
H11A H 0.061291 0.026906 0.635632 0.050 Uiso 1 1 calc R U . . .
H11B H 0.024234 0.185391 0.646915 0.050 Uiso 1 1 calc R U . . .
H11C H -0.052389 0.055090 0.663684 0.050 Uiso 1 1 calc R U . . .
C12 C 0.1231(2) -0.0727(3) 0.71396(9) 0.0284(6) Uani 1 1 d . . . . .
H12A H 0.158156 -0.136255 0.693951 0.043 Uiso 1 1 calc R U . . .
H12B H 0.037650 -0.101989 0.718265 0.043 Uiso 1 1 calc R U . . .
H12C H 0.174298 -0.076646 0.740408 0.043 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 O1 2.0819(14) . ?
Sn1 N2 2.1072(17) . ?
Sn1 N1 2.2954(16) . ?
Si1 N2 1.7383(18) . ?
Si1 C27 1.862(2) . ?
Si1 C26 1.858(2) . ?
Si1 C28 1.875(2) . ?
Si2 N2 1.7348(17) . ?
Si2 C24 1.867(2) . ?
Si2 C23 1.872(2) . ?
Si2 C25 1.874(2) . ?
O1 C1 1.332(2) . ?
O2 C19 1.368(2) . ?
O2 C22 1.428(2) . ?
N1 C7 1.296(3) . ?
N1 C16 1.431(3) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C1 C6 1.424(3) . ?
C1 C2 1.415(3) . ?
C6 C9 1.537(3) . ?
C6 C5 1.384(3) . ?
C9 C14 1.530(3) . ?
C9 C13 1.530(3) . ?
C9 C15 1.543(3) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C5 H5 0.9300 . ?
C5 C4 1.404(3) . ?
C4 C3 1.372(3) . ?
C4 C8 1.536(3) . ?
C3 H3 0.9300 . ?
C3 C2 1.407(3) . ?
C2 C7 1.438(3) . ?
C7 H7 0.9300 . ?
C16 C21 1.389(3) . ?
C16 C17 1.393(3) . ?
C21 H21 0.9300 . ?
C21 C20 1.379(3) . ?
C20 H20 0.9300 . ?
C20 C19 1.389(3) . ?
C19 C18 1.392(3) . ?
C18 H18 0.9300 . ?
C18 C17 1.378(3) . ?
C17 H17 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C8 C10 1.524(3) . ?
C8 C11 1.526(3) . ?
C8 C12 1.527(3) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sn1 N2 96.24(6) . . ?
O1 Sn1 N1 82.96(5) . . ?
N2 Sn1 N1 99.60(6) . . ?
N2 Si1 C27 112.36(10) . . ?
N2 Si1 C26 113.20(9) . . ?
N2 Si1 C28 111.01(10) . . ?
C27 Si1 C28 107.90(12) . . ?
C26 Si1 C27 106.97(11) . . ?
C26 Si1 C28 104.96(11) . . ?
N2 Si2 C24 113.03(10) . . ?
N2 Si2 C23 111.46(10) . . ?
N2 Si2 C25 112.50(10) . . ?
C24 Si2 C23 106.23(13) . . ?
C24 Si2 C25 107.64(12) . . ?
C23 Si2 C25 105.49(11) . . ?
C1 O1 Sn1 130.89(12) . . ?
C19 O2 C22 117.43(17) . . ?
Si1 N2 Sn1 126.17(9) . . ?
Si2 N2 Sn1 113.63(9) . . ?
Si2 N2 Si1 120.19(10) . . ?
C7 N1 Sn1 121.38(14) . . ?
C7 N1 C16 117.20(17) . . ?
C16 N1 Sn1 120.71(12) . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C25 H25A 109.5 . . ?
Si2 C25 H25B 109.5 . . ?
Si2 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O1 C1 C6 120.23(17) . . ?
O1 C1 C2 121.25(18) . . ?
C2 C1 C6 118.50(18) . . ?
C1 C6 C9 121.27(17) . . ?
C5 C6 C1 117.94(18) . . ?
C5 C6 C9 120.79(18) . . ?
C6 C9 C15 109.62(17) . . ?
C14 C9 C6 110.11(17) . . ?
C14 C9 C15 110.38(17) . . ?
C13 C9 C6 112.05(16) . . ?
C13 C9 C14 107.44(17) . . ?
C13 C9 C15 107.19(17) . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C6 C5 H5 117.6 . . ?
C6 C5 C4 124.74(19) . . ?
C4 C5 H5 117.6 . . ?
C5 C4 C8 123.06(18) . . ?
C3 C4 C5 116.25(18) . . ?
C3 C4 C8 120.67(18) . . ?
C4 C3 H3 118.8 . . ?
C4 C3 C2 122.44(19) . . ?
C2 C3 H3 118.8 . . ?
C1 C2 C7 125.21(18) . . ?
C3 C2 C1 120.12(18) . . ?
C3 C2 C7 114.65(18) . . ?
N1 C7 C2 129.44(19) . . ?
N1 C7 H7 115.3 . . ?
C2 C7 H7 115.3 . . ?
C21 C16 N1 121.51(19) . . ?
C21 C16 C17 118.82(19) . . ?
C17 C16 N1 119.66(18) . . ?
C16 C21 H21 119.4 . . ?
C20 C21 C16 121.2(2) . . ?
C20 C21 H21 119.4 . . ?
C21 C20 H20 120.3 . . ?
C21 C20 C19 119.5(2) . . ?
C19 C20 H20 120.3 . . ?
O2 C19 C20 124.16(18) . . ?
O2 C19 C18 116.03(19) . . ?
C20 C19 C18 119.81(19) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 C19 120.1(2) . . ?
C17 C18 H18 119.9 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.37(19) . . ?
C18 C17 H17 119.8 . . ?
O2 C22 H22A 109.5 . . ?
O2 C22 H22B 109.5 . . ?
O2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C10 C8 C4 108.67(17) . . ?
C10 C8 C11 109.45(19) . . ?
C10 C8 C12 107.90(19) . . ?
C11 C8 C4 110.38(18) . . ?
C11 C8 C12 108.35(19) . . ?
C12 C8 C4 112.02(17) . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sn1 O1 C1 C6 -152.71(15) . . . . ?
Sn1 O1 C1 C2 28.7(3) . . . . ?
Sn1 N1 C7 C2 -8.1(3) . . . . ?
Sn1 N1 C16 C21 -130.83(17) . . . . ?
Sn1 N1 C16 C17 49.8(2) . . . . ?
O1 C1 C6 C9 1.2(3) . . . . ?
O1 C1 C6 C5 -179.21(18) . . . . ?
O1 C1 C2 C3 178.79(19) . . . . ?
O1 C1 C2 C7 0.4(3) . . . . ?
O2 C19 C18 C17 -175.78(18) . . . . ?
N1 C16 C21 C20 -175.56(19) . . . . ?
N1 C16 C17 C18 176.02(19) . . . . ?
C27 Si1 N2 Sn1 -100.59(13) . . . . ?
C27 Si1 N2 Si2 78.62(14) . . . . ?
C26 Si1 N2 Sn1 20.73(15) . . . . ?
C26 Si1 N2 Si2 -160.06(12) . . . . ?
C28 Si1 N2 Sn1 138.47(12) . . . . ?
C28 Si1 N2 Si2 -42.31(14) . . . . ?
C24 Si2 N2 Sn1 -96.89(13) . . . . ?
C24 Si2 N2 Si1 83.80(15) . . . . ?
C23 Si2 N2 Sn1 22.68(13) . . . . ?
C23 Si2 N2 Si1 -156.63(12) . . . . ?
C25 Si2 N2 Sn1 140.94(10) . . . . ?
C25 Si2 N2 Si1 -38.37(14) . . . . ?
C1 C6 C9 C14 -59.0(2) . . . . ?
C1 C6 C9 C13 -178.53(19) . . . . ?
C1 C6 C9 C15 62.6(2) . . . . ?
C1 C6 C5 C4 0.3(3) . . . . ?
C1 C2 C7 N1 -9.2(4) . . . . ?
C6 C1 C2 C3 0.1(3) . . . . ?
C6 C1 C2 C7 -178.3(2) . . . . ?
C6 C5 C4 C3 0.3(3) . . . . ?
C6 C5 C4 C8 -178.0(2) . . . . ?
C9 C6 C5 C4 179.93(19) . . . . ?
C5 C6 C9 C14 121.4(2) . . . . ?
C5 C6 C9 C13 1.9(3) . . . . ?
C5 C6 C9 C15 -117.0(2) . . . . ?
C5 C4 C3 C2 -0.7(3) . . . . ?
C5 C4 C8 C10 110.8(2) . . . . ?
C5 C4 C8 C11 -129.2(2) . . . . ?
C5 C4 C8 C12 -8.4(3) . . . . ?
C4 C3 C2 C1 0.5(3) . . . . ?
C4 C3 C2 C7 179.09(19) . . . . ?
C3 C4 C8 C10 -67.5(3) . . . . ?
C3 C4 C8 C11 52.6(3) . . . . ?
C3 C4 C8 C12 173.4(2) . . . . ?
C3 C2 C7 N1 172.3(2) . . . . ?
C2 C1 C6 C9 179.86(18) . . . . ?
C2 C1 C6 C5 -0.5(3) . . . . ?
C7 N1 C16 C21 39.7(3) . . . . ?
C7 N1 C16 C17 -139.8(2) . . . . ?
C16 N1 C7 C2 -178.5(2) . . . . ?
C16 C21 C20 C19 -0.3(3) . . . . ?
C21 C16 C17 C18 -3.4(3) . . . . ?
C21 C20 C19 O2 176.23(19) . . . . ?
C21 C20 C19 C18 -3.8(3) . . . . ?
C20 C19 C18 C17 4.2(3) . . . . ?
C19 C18 C17 C16 -0.6(3) . . . . ?
C17 C16 C21 C20 3.9(3) . . . . ?
C22 O2 C19 C20 4.1(3) . . . . ?
C22 O2 C19 C18 -175.88(18) . . . . ?
C8 C4 C3 C2 177.62(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_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_p-1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2378871'
loop_
_audit_author_name
_audit_author_address
'Timothy Quek'
;VISTEC
Singapore
;
_audit_update_record             
;
2024-08-21 deposited with the CCDC.	2025-02-24 downloaded from the CCDC.
;
_audit_creation_date             2021-05-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        C29H48ON2Si2Sn
_chemical_formula_moiety         'C29 H48 N2 O Si2 Sn'
_chemical_formula_sum            'C29 H48 N2 O Si2 Sn'
_chemical_formula_weight         615.56
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.5871(13)
_cell_length_b                   12.1261(14)
_cell_length_c                   13.7342(17)
_cell_angle_alpha                100.519(3)
_cell_angle_beta                 103.382(4)
_cell_angle_gamma                105.443(3)
_cell_volume                     1596.4(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9369
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.97
_shelx_estimated_absorpt_T_max   0.807
_shelx_estimated_absorpt_T_min   0.744
_exptl_absorpt_coefficient_mu    0.898
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6821
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0864 before and 0.0492 after correction.
The Ratio of minimum to maximum transmission is 0.9142.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   ?
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             644
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0177
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            65884
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.033
_diffrn_reflns_theta_min         2.065
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8958
_reflns_number_total             9325
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.405
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.059
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         9325
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0184
_refine_ls_R_factor_gt           0.0172
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0180P)²+0.6625P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0450
_refine_ls_wR_factor_ref         0.0455
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C3(H3), C7(H7), C20(H20), C19(H19), C18(H18)
2.b Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C11(H11A,H11B,
 H11C), C12(H12A,H12B,H12C), C10(H10A,H10B,H10C), C23(H23A,H23B,H23C), C22(H22A,
 H22B,H22C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C),
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.20853(2) 0.61997(2) 0.40790(2) 0.01161(2) Uani 1 1 d . . . . .
Si1 Si 0.03742(3) 0.81276(3) 0.37853(2) 0.01610(6) Uani 1 1 d . . . . .
Si2 Si 0.04274(3) 0.64441(3) 0.18700(2) 0.01365(6) Uani 1 1 d . . . . .
O1 O 0.27002(8) 0.74982(7) 0.54780(6) 0.01380(14) Uani 1 1 d . . . . .
N1 N 0.43061(9) 0.72164(8) 0.41079(7) 0.01130(15) Uani 1 1 d . . . . .
N2 N 0.09992(9) 0.70855(8) 0.31941(7) 0.01417(16) Uani 1 1 d . . . . .
C1 C 0.38433(10) 0.76730(9) 0.62252(8) 0.01060(17) Uani 1 1 d . . . . .
C6 C 0.38358(10) 0.78242(9) 0.72805(8) 0.01136(17) Uani 1 1 d . . . . .
C9 C 0.25209(11) 0.77897(10) 0.75797(8) 0.01508(19) Uani 1 1 d . . . . .
C13 C 0.27397(13) 0.79318(13) 0.87475(9) 0.0238(2) Uani 1 1 d . . . . .
H13A H 0.187457 0.789834 0.890321 0.036 Uiso 1 1 calc R U . . .
H13B H 0.343516 0.869694 0.913460 0.036 Uiso 1 1 calc R U . . .
H13C H 0.304908 0.729091 0.894943 0.036 Uiso 1 1 calc R U . . .
C14 C 0.13916(12) 0.65971(11) 0.70158(10) 0.0218(2) Uani 1 1 d . . . . .
H14A H 0.169190 0.595417 0.722238 0.033 Uiso 1 1 calc R U . . .
H14B H 0.121165 0.647936 0.626519 0.033 Uiso 1 1 calc R U . . .
H14C H 0.055124 0.659742 0.720042 0.033 Uiso 1 1 calc R U . . .
C15 C 0.20509(12) 0.88206(11) 0.73024(9) 0.0197(2) Uani 1 1 d . . . . .
H15A H 0.120411 0.879858 0.748452 0.029 Uiso 1 1 calc R U . . .
H15B H 0.188269 0.874423 0.655709 0.029 Uiso 1 1 calc R U . . .
H15C H 0.276683 0.957493 0.768930 0.029 Uiso 1 1 calc R U . . .
C5 C 0.50613(11) 0.80119(9) 0.80282(8) 0.01229(18) Uani 1 1 d . . . . .
H5 H 0.504697 0.809471 0.872648 0.015 Uiso 1 1 calc R U . . .
C4 C 0.63230(10) 0.80883(9) 0.78274(8) 0.01159(17) Uani 1 1 d . . . . .
C8 C 0.75829(11) 0.82429(10) 0.87154(8) 0.01440(19) Uani 1 1 d . . . . .
C11 C 0.78495(14) 0.93395(12) 0.95922(10) 0.0255(3) Uani 1 1 d . . . . .
H11A H 0.800334 1.004553 0.932615 0.038 Uiso 1 1 calc R U . . .
H11B H 0.866224 0.942839 1.015404 0.038 Uiso 1 1 calc R U . . .
H11C H 0.705319 0.924478 0.985604 0.038 Uiso 1 1 calc R U . . .
C12 C 0.73203(12) 0.71428(11) 0.91386(10) 0.0219(2) Uani 1 1 d . . . . .
H12A H 0.650160 0.704438 0.937501 0.033 Uiso 1 1 calc R U . . .
H12B H 0.811326 0.724056 0.972117 0.033 Uiso 1 1 calc R U . . .
H12C H 0.717852 0.644081 0.858984 0.033 Uiso 1 1 calc R U . . .
C10 C 0.88674(12) 0.83736(12) 0.83583(9) 0.0232(2) Uani 1 1 d . . . . .
H10A H 0.872855 0.765842 0.782510 0.035 Uiso 1 1 calc R U . . .
H10B H 0.965436 0.848344 0.895004 0.035 Uiso 1 1 calc R U . . .
H10C H 0.904255 0.906276 0.807086 0.035 Uiso 1 1 calc R U . . .
C3 C 0.63235(10) 0.79845(9) 0.68110(8) 0.01194(17) Uani 1 1 d . . . . .
H3 H 0.716197 0.806732 0.664674 0.014 Uiso 1 1 calc R U . . .
C2 C 0.51049(10) 0.77575(9) 0.60075(7) 0.01072(17) Uani 1 1 d . . . . .
C7 C 0.52659(10) 0.76482(9) 0.49786(8) 0.01178(17) Uani 1 1 d . . . . .
H7 H 0.617708 0.792457 0.494137 0.014 Uiso 1 1 calc R U . . .
C16 C 0.46937(10) 0.71085(9) 0.31674(8) 0.01331(18) Uani 1 1 d . . . . .
C21 C 0.50322(11) 0.61023(10) 0.28008(9) 0.0180(2) Uani 1 1 d . . . . .
C23 C 0.51381(14) 0.52106(11) 0.34228(11) 0.0246(2) Uani 1 1 d . . . . .
H23A H 0.586466 0.559550 0.408149 0.037 Uiso 1 1 calc R U . . .
H23B H 0.535630 0.456208 0.303159 0.037 Uiso 1 1 calc R U . . .
H23C H 0.426229 0.489403 0.356004 0.037 Uiso 1 1 calc R U . . .
C20 C 0.52671(13) 0.59544(13) 0.18335(10) 0.0270(3) Uani 1 1 d . . . . .
H20 H 0.549222 0.527816 0.156101 0.032 Uiso 1 1 calc R U . . .
C19 C 0.51774(14) 0.67751(15) 0.12671(10) 0.0323(3) Uani 1 1 d . . . . .
H19 H 0.531581 0.664812 0.060186 0.039 Uiso 1 1 calc R U . . .
C18 C 0.48865(13) 0.77842(13) 0.16626(10) 0.0269(3) Uani 1 1 d . . . . .
H18 H 0.485449 0.835377 0.127353 0.032 Uiso 1 1 calc R U . . .
C17 C 0.46403(11) 0.79742(10) 0.26242(8) 0.0174(2) Uani 1 1 d . . . . .
C22 C 0.43405(13) 0.90683(11) 0.30746(10) 0.0223(2) Uani 1 1 d . . . . .
H22A H 0.426060 0.953607 0.256567 0.033 Uiso 1 1 calc R U . . .
H22B H 0.508773 0.954293 0.370193 0.033 Uiso 1 1 calc R U . . .
H22C H 0.347775 0.883922 0.324976 0.033 Uiso 1 1 calc R U . . .
C24 C -0.06273(13) 0.74910(12) 0.46274(11) 0.0249(2) Uani 1 1 d . . . . .
H24A H -0.143532 0.682311 0.419545 0.037 Uiso 1 1 calc R U . . .
H24B H -0.092074 0.810161 0.499670 0.037 Uiso 1 1 calc R U . . .
H24C H -0.004918 0.721555 0.513016 0.037 Uiso 1 1 calc R U . . .
C25 C 0.17913(14) 0.95244(10) 0.45494(10) 0.0231(2) Uani 1 1 d . . . . .
H25A H 0.252740 0.933212 0.499199 0.035 Uiso 1 1 calc R U . . .
H25B H 0.143939 1.003061 0.498242 0.035 Uiso 1 1 calc R U . . .
H25C H 0.215042 0.994308 0.407463 0.035 Uiso 1 1 calc R U . . .
C26 C -0.08518(16) 0.85874(13) 0.28471(11) 0.0321(3) Uani 1 1 d . . . . .
H26A H -0.043214 0.883322 0.232299 0.048 Uiso 1 1 calc R U . . .
H26B H -0.106440 0.925050 0.322133 0.048 Uiso 1 1 calc R U . . .
H26C H -0.169856 0.791819 0.250769 0.048 Uiso 1 1 calc R U . . .
C27 C -0.14884(12) 0.57479(11) 0.13556(9) 0.0200(2) Uani 1 1 d . . . . .
H27A H -0.182844 0.536767 0.185769 0.030 Uiso 1 1 calc R U . . .
H27B H -0.172602 0.515270 0.069773 0.030 Uiso 1 1 calc R U . . .
H27C H -0.190952 0.636022 0.124303 0.030 Uiso 1 1 calc R U . . .
C28 C 0.09810(13) 0.75234(11) 0.11126(9) 0.0223(2) Uani 1 1 d . . . . .
H28A H 0.063885 0.819080 0.126778 0.033 Uiso 1 1 calc R U . . .
H28B H 0.060879 0.712856 0.036983 0.033 Uiso 1 1 calc R U . . .
H28C H 0.198489 0.781555 0.130413 0.033 Uiso 1 1 calc R U . . .
C29 C 0.11743(12) 0.52340(11) 0.15486(9) 0.0204(2) Uani 1 1 d . . . . .
H29A H 0.217775 0.556014 0.179258 0.031 Uiso 1 1 calc R U . . .
H29B H 0.087204 0.489590 0.079629 0.031 Uiso 1 1 calc R U . . .
H29C H 0.086343 0.461363 0.188885 0.031 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 O1 2.0893(8) . ?
Sn1 N1 2.3334(9) . ?
Sn1 N2 2.1072(9) . ?
Si1 N2 1.7358(10) . ?
Si1 C24 1.8749(13) . ?
Si1 C25 1.8681(13) . ?
Si1 C26 1.8787(13) . ?
Si2 N2 1.7326(10) . ?
Si2 C27 1.8795(12) . ?
Si2 C28 1.8733(12) . ?
Si2 C29 1.8751(12) . ?
O1 C1 1.3311(12) . ?
N1 C7 1.2892(13) . ?
N1 C16 1.4375(13) . ?
C1 C6 1.4295(14) . ?
C1 C2 1.4167(14) . ?
C6 C9 1.5325(14) . ?
C6 C5 1.3894(14) . ?
C9 C13 1.5368(16) . ?
C9 C14 1.5369(17) . ?
C9 C15 1.5404(15) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C5 H5 0.9500 . ?
C5 C4 1.4081(14) . ?
C4 C8 1.5271(14) . ?
C4 C3 1.3787(14) . ?
C8 C11 1.5350(16) . ?
C8 C12 1.5347(16) . ?
C8 C10 1.5288(16) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C3 H3 0.9500 . ?
C3 C2 1.4139(14) . ?
C2 C7 1.4487(14) . ?
C7 H7 0.9500 . ?
C16 C21 1.4010(15) . ?
C16 C17 1.3998(15) . ?
C21 C23 1.5064(18) . ?
C21 C20 1.3960(16) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C20 H20 0.9500 . ?
C20 C19 1.380(2) . ?
C19 H19 0.9500 . ?
C19 C18 1.387(2) . ?
C18 H18 0.9500 . ?
C18 C17 1.3948(16) . ?
C17 C22 1.5030(17) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sn1 N1 79.92(3) . . ?
O1 Sn1 N2 95.60(3) . . ?
N2 Sn1 N1 99.19(3) . . ?
N2 Si1 C24 109.94(5) . . ?
N2 Si1 C25 111.32(5) . . ?
N2 Si1 C26 113.75(6) . . ?
C24 Si1 C26 105.17(7) . . ?
C25 Si1 C24 110.94(6) . . ?
C25 Si1 C26 105.51(7) . . ?
N2 Si2 C27 113.14(5) . . ?
N2 Si2 C28 112.44(5) . . ?
N2 Si2 C29 110.05(5) . . ?
C28 Si2 C27 108.28(5) . . ?
C28 Si2 C29 105.99(6) . . ?
C29 Si2 C27 106.54(6) . . ?
C1 O1 Sn1 122.32(6) . . ?
C7 N1 Sn1 119.64(7) . . ?
C7 N1 C16 118.20(9) . . ?
C16 N1 Sn1 120.26(6) . . ?
Si1 N2 Sn1 120.54(5) . . ?
Si2 N2 Sn1 114.87(5) . . ?
Si2 N2 Si1 122.64(5) . . ?
O1 C1 C6 120.41(9) . . ?
O1 C1 C2 121.38(9) . . ?
C2 C1 C6 118.16(9) . . ?
C1 C6 C9 121.11(9) . . ?
C5 C6 C1 117.88(9) . . ?
C5 C6 C9 121.00(9) . . ?
C6 C9 C13 112.20(9) . . ?
C6 C9 C14 110.48(9) . . ?
C6 C9 C15 109.03(9) . . ?
C13 C9 C14 107.02(9) . . ?
C13 C9 C15 107.55(9) . . ?
C14 C9 C15 110.52(9) . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C6 C5 H5 117.6 . . ?
C6 C5 C4 124.83(9) . . ?
C4 C5 H5 117.6 . . ?
C5 C4 C8 119.54(9) . . ?
C3 C4 C5 116.55(9) . . ?
C3 C4 C8 123.89(9) . . ?
C4 C8 C11 110.45(9) . . ?
C4 C8 C12 108.71(9) . . ?
C4 C8 C10 111.89(9) . . ?
C12 C8 C11 108.88(10) . . ?
C10 C8 C11 108.69(10) . . ?
C10 C8 C12 108.14(10) . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C4 C3 H3 119.2 . . ?
C4 C3 C2 121.52(9) . . ?
C2 C3 H3 119.2 . . ?
C1 C2 C7 123.97(9) . . ?
C3 C2 C1 120.98(9) . . ?
C3 C2 C7 115.04(9) . . ?
N1 C7 C2 127.03(9) . . ?
N1 C7 H7 116.5 . . ?
C2 C7 H7 116.5 . . ?
C21 C16 N1 118.40(9) . . ?
C17 C16 N1 118.83(10) . . ?
C17 C16 C21 122.66(10) . . ?
C16 C21 C23 121.49(10) . . ?
C20 C21 C16 117.45(11) . . ?
C20 C21 C23 121.06(11) . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C20 H20 119.5 . . ?
C19 C20 C21 121.01(12) . . ?
C19 C20 H20 119.5 . . ?
C20 C19 H19 119.8 . . ?
C20 C19 C18 120.42(11) . . ?
C18 C19 H19 119.8 . . ?
C19 C18 H18 119.6 . . ?
C19 C18 C17 120.87(12) . . ?
C17 C18 H18 119.6 . . ?
C16 C17 C22 120.67(10) . . ?
C18 C17 C16 117.51(11) . . ?
C18 C17 C22 121.81(11) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si1 C25 H25A 109.5 . . ?
Si1 C25 H25B 109.5 . . ?
Si1 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sn1 O1 C1 C6 -134.88(8) . . . . ?
Sn1 O1 C1 C2 47.43(12) . . . . ?
Sn1 N1 C7 C2 -11.14(14) . . . . ?
Sn1 N1 C16 C21 -80.13(11) . . . . ?
Sn1 N1 C16 C17 96.18(10) . . . . ?
O1 C1 C6 C9 0.00(15) . . . . ?
O1 C1 C6 C5 -179.57(9) . . . . ?
O1 C1 C2 C3 177.77(9) . . . . ?
O1 C1 C2 C7 -0.90(15) . . . . ?
N1 C16 C21 C23 -6.39(16) . . . . ?
N1 C16 C21 C20 173.53(10) . . . . ?
N1 C16 C17 C18 -173.62(10) . . . . ?
N1 C16 C17 C22 6.92(15) . . . . ?
C1 C6 C9 C13 178.17(10) . . . . ?
C1 C6 C9 C14 58.84(12) . . . . ?
C1 C6 C9 C15 -62.81(13) . . . . ?
C1 C6 C5 C4 1.34(15) . . . . ?
C1 C2 C7 N1 -16.26(17) . . . . ?
C6 C1 C2 C3 0.03(14) . . . . ?
C6 C1 C2 C7 -178.64(9) . . . . ?
C6 C5 C4 C8 -177.31(10) . . . . ?
C6 C5 C4 C3 1.01(15) . . . . ?
C9 C6 C5 C4 -178.23(10) . . . . ?
C5 C6 C9 C13 -2.28(14) . . . . ?
C5 C6 C9 C14 -121.61(11) . . . . ?
C5 C6 C9 C15 116.75(11) . . . . ?
C5 C4 C8 C11 -55.74(13) . . . . ?
C5 C4 C8 C12 63.66(13) . . . . ?
C5 C4 C8 C10 -176.98(10) . . . . ?
C5 C4 C3 C2 -2.87(15) . . . . ?
C4 C3 C2 C1 2.42(15) . . . . ?
C4 C3 C2 C7 -178.79(9) . . . . ?
C8 C4 C3 C2 175.37(9) . . . . ?
C3 C4 C8 C11 126.07(11) . . . . ?
C3 C4 C8 C12 -114.53(11) . . . . ?
C3 C4 C8 C10 4.83(15) . . . . ?
C3 C2 C7 N1 165.00(10) . . . . ?
C2 C1 C6 C9 177.76(9) . . . . ?
C2 C1 C6 C5 -1.81(14) . . . . ?
C7 N1 C16 C21 84.13(12) . . . . ?
C7 N1 C16 C17 -99.56(12) . . . . ?
C16 N1 C7 C2 -175.50(10) . . . . ?
C16 C21 C20 C19 0.45(18) . . . . ?
C21 C16 C17 C18 2.52(16) . . . . ?
C21 C16 C17 C22 -176.94(10) . . . . ?
C21 C20 C19 C18 1.7(2) . . . . ?
C23 C21 C20 C19 -179.63(12) . . . . ?
C20 C19 C18 C17 -1.9(2) . . . . ?
C19 C18 C17 C16 -0.23(18) . . . . ?
C19 C18 C17 C22 179.22(12) . . . . ?
C17 C16 C21 C23 177.46(11) . . . . ?
C17 C16 C21 C20 -2.63(16) . . . . ?
C24 Si1 N2 Sn1 -50.81(7) . . . . ?
C24 Si1 N2 Si2 112.49(7) . . . . ?
C25 Si1 N2 Sn1 72.54(7) . . . . ?
C25 Si1 N2 Si2 -124.16(7) . . . . ?
C26 Si1 N2 Sn1 -168.43(7) . . . . ?
C26 Si1 N2 Si2 -5.13(9) . . . . ?
C27 Si2 N2 Sn1 110.25(6) . . . . ?
C27 Si2 N2 Si1 -53.91(8) . . . . ?
C28 Si2 N2 Sn1 -126.69(6) . . . . ?
C28 Si2 N2 Si1 69.14(8) . . . . ?
C29 Si2 N2 Sn1 -8.79(7) . . . . ?
C29 Si2 N2 Si1 -172.96(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_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_p21c
_database_code_depnum_ccdc_archive 'CCDC 2378874'
loop_
_audit_author_name
_audit_author_address
'Timothy Quek'
;VISTEC
Singapore
;
_audit_update_record             
;
2024-08-21 deposited with the CCDC.	2025-02-24 downloaded from the CCDC.
;
_audit_creation_date             2024-02-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H52 N2 O Si2 Sn'
_chemical_formula_sum            'C31 H52 N2 O Si2 Sn'
_chemical_formula_weight         643.61
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.9746(13)
_cell_length_b                   27.777(3)
_cell_length_c                   12.2977(15)
_cell_angle_alpha                90
_cell_angle_beta                 90.057(4)
_cell_angle_gamma                90
_cell_volume                     3407.2(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9805
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.322
_cell_measurement_theta_min      2.212
_shelx_estimated_absorpt_T_max   0.968
_shelx_estimated_absorpt_T_min   0.861
_exptl_absorpt_coefficient_mu    0.844
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1240 before and 0.0818 after correction.
The Ratio of minimum to maximum transmission is 0.8898.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.183
_exptl_crystal_size_mid          0.174
_exptl_crystal_size_min          0.039
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0847
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            60650
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.551
_diffrn_reflns_theta_min         1.811
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5614
_reflns_number_total             7850
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.147
_refine_diff_density_min         -1.084
_refine_diff_density_rms         0.143
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.331
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         7850
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0385
_refine_ls_restrained_S_all      1.331
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0083P)²+8.7962P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0755
_refine_ls_wR_factor_ref         0.1104
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C18(H18), C17(H17), C7(H7), C5(H5), C20(H20), C21(H21)
2.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C28(H28A,H28B,
 H28C), C31(H31A,H31B,H31C), C27(H27A,H27B,H27C), C13(H13A,H13B,H13C), C25(H25A,
 H25B,H25C), C14(H14A,H14B,H14C), C23(H23A,H23B,H23C), C26(H26A,H26B,H26C),
 C24(H24A,H24B,H24C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.33567(3) 0.59338(2) 0.18972(2) 0.02121(8) Uani 1 1 d . . . . .
Si1 Si 0.10739(11) 0.56719(4) 0.38417(9) 0.0209(2) Uani 1 1 d . . . . .
Si2 Si 0.12950(12) 0.66861(4) 0.29973(10) 0.0240(2) Uani 1 1 d . . . . .
O1 O 0.2983(3) 0.51986(10) 0.1877(2) 0.0232(6) Uani 1 1 d . . . . .
N1 N 0.4941(3) 0.56978(11) 0.3158(3) 0.0197(7) Uani 1 1 d . . . . .
N2 N 0.1865(3) 0.61000(12) 0.3041(3) 0.0214(7) Uani 1 1 d . . . . .
C1 C 0.3892(4) 0.48501(14) 0.1840(3) 0.0203(8) Uani 1 1 d . . . . .
C3 C 0.4606(4) 0.40710(14) 0.1220(3) 0.0208(8) Uani 1 1 d . . . . .
H3 H 0.446440 0.380594 0.077191 0.025 Uiso 1 1 calc R U . . .
C2 C 0.3683(4) 0.44433(14) 0.1165(3) 0.0219(8) Uani 1 1 d . . . . .
C4 C 0.5734(4) 0.40637(14) 0.1897(3) 0.0197(8) Uani 1 1 d . . . . .
C6 C 0.5060(4) 0.48657(14) 0.2498(3) 0.0219(8) Uani 1 1 d . . . . .
C19 C 0.6562(4) 0.67487(15) 0.5302(3) 0.0242(9) Uani 1 1 d . . . . .
C18 C 0.6415(4) 0.62717(15) 0.5632(4) 0.0264(9) Uani 1 1 d . . . . .
H18 H 0.668709 0.618347 0.632711 0.032 Uiso 1 1 calc R U . . .
C17 C 0.5872(4) 0.59241(15) 0.4946(3) 0.0231(8) Uani 1 1 d . . . . .
H17 H 0.577503 0.560924 0.519082 0.028 Uiso 1 1 calc R U . . .
C16 C 0.5476(4) 0.60445(14) 0.3900(3) 0.0222(8) Uani 1 1 d . . . . .
C7 C 0.5454(4) 0.52692(14) 0.3163(3) 0.0205(8) Uani 1 1 d . . . . .
H7 H 0.615338 0.521593 0.364957 0.025 Uiso 1 1 calc R U . . .
C5 C 0.5938(4) 0.44690(14) 0.2523(3) 0.0234(8) Uani 1 1 d . . . . .
H5 H 0.668156 0.448060 0.297903 0.028 Uiso 1 1 calc R U . . .
C12 C 0.6712(4) 0.36393(14) 0.1945(3) 0.0246(9) Uani 1 1 d . . . . .
C22 C 0.7178(4) 0.71392(15) 0.6023(4) 0.0283(9) Uani 1 1 d . . . . .
C15 C 0.6819(5) 0.34605(16) 0.3116(4) 0.0306(10) Uani 1 1 d . . . . .
H15A H 0.596433 0.333947 0.334791 0.046 Uiso 1 1 calc R U . . .
H15B H 0.708535 0.372167 0.357916 0.046 Uiso 1 1 calc R U . . .
H15C H 0.747407 0.320799 0.315584 0.046 Uiso 1 1 calc R U . . .
C29 C 0.2277(4) 0.52248(15) 0.4414(3) 0.0270(9) Uani 1 1 d . . . . .
H29A H 0.263241 0.503050 0.383691 0.041 Uiso 1 1 calc R U . . .
H29B H 0.182130 0.502264 0.492801 0.041 Uiso 1 1 calc R U . . .
H29C H 0.299615 0.539107 0.477247 0.041 Uiso 1 1 calc R U . . .
C30 C -0.0258(4) 0.53603(16) 0.3027(4) 0.0298(10) Uani 1 1 d . . . . .
H30A H -0.102884 0.556557 0.296827 0.045 Uiso 1 1 calc R U . . .
H30B H -0.050622 0.506581 0.338240 0.045 Uiso 1 1 calc R U . . .
H30C H 0.007955 0.529002 0.231384 0.045 Uiso 1 1 calc R U . . .
C20 C 0.6111(4) 0.68633(15) 0.4262(4) 0.0270(9) Uani 1 1 d . . . . .
H20 H 0.616883 0.718084 0.402610 0.032 Uiso 1 1 calc R U . . .
C28 C -0.0567(4) 0.67162(16) 0.2804(4) 0.0320(10) Uani 1 1 d . . . . .
H28A H -0.079799 0.658402 0.210740 0.048 Uiso 1 1 calc R U . . .
H28B H -0.085477 0.704555 0.283964 0.048 Uiso 1 1 calc R U . . .
H28C H -0.100124 0.653430 0.336630 0.048 Uiso 1 1 calc R U . . .
C21 C 0.5582(4) 0.65216(15) 0.3567(4) 0.0263(9) Uani 1 1 d . . . . .
H21 H 0.529542 0.661062 0.287589 0.032 Uiso 1 1 calc R U . . .
C8 C 0.2480(4) 0.44197(15) 0.0390(4) 0.0273(9) Uani 1 1 d . . . . .
C31 C 0.0226(4) 0.59347(16) 0.5074(3) 0.0248(8) Uani 1 1 d . . . . .
H31A H 0.088150 0.609051 0.552501 0.037 Uiso 1 1 calc R U . . .
H31B H -0.020167 0.568207 0.547823 0.037 Uiso 1 1 calc R U . . .
H31C H -0.043414 0.616540 0.484740 0.037 Uiso 1 1 calc R U . . .
C27 C 0.1779(4) 0.70253(15) 0.4251(4) 0.0302(10) Uani 1 1 d . . . . .
H27A H 0.144825 0.685893 0.487989 0.045 Uiso 1 1 calc R U . . .
H27B H 0.139879 0.734265 0.422430 0.045 Uiso 1 1 calc R U . . .
H27C H 0.273780 0.704859 0.429142 0.045 Uiso 1 1 calc R U . . .
C13 C 0.6251(5) 0.32185(16) 0.1233(4) 0.0329(10) Uani 1 1 d . . . . .
H13A H 0.686581 0.295492 0.131137 0.049 Uiso 1 1 calc R U . . .
H13B H 0.622550 0.331879 0.048633 0.049 Uiso 1 1 calc R U . . .
H13C H 0.537180 0.311797 0.145508 0.049 Uiso 1 1 calc R U . . .
C25 C 0.6158(5) 0.75403(16) 0.6234(4) 0.0377(11) Uani 1 1 d . . . . .
H25A H 0.657273 0.779132 0.665274 0.057 Uiso 1 1 calc R U . . .
H25B H 0.540904 0.741209 0.662953 0.057 Uiso 1 1 calc R U . . .
H25C H 0.585238 0.766904 0.555335 0.057 Uiso 1 1 calc R U . . .
C14 C 0.8089(4) 0.38077(17) 0.1542(4) 0.0352(11) Uani 1 1 d . . . . .
H14A H 0.840649 0.406446 0.199713 0.053 Uiso 1 1 calc R U . . .
H14B H 0.801262 0.392005 0.080660 0.053 Uiso 1 1 calc R U . . .
H14C H 0.870991 0.354387 0.157087 0.053 Uiso 1 1 calc R U . . .
C23 C 0.8401(5) 0.73536(18) 0.5440(4) 0.0389(12) Uani 1 1 d . . . . .
H23A H 0.811957 0.750243 0.477337 0.058 Uiso 1 1 calc R U . . .
H23B H 0.903266 0.710219 0.528331 0.058 Uiso 1 1 calc R U . . .
H23C H 0.881665 0.759018 0.589914 0.058 Uiso 1 1 calc R U . . .
C26 C 0.2019(5) 0.70276(16) 0.1817(4) 0.0368(11) Uani 1 1 d . . . . .
H26A H 0.297522 0.704534 0.189318 0.055 Uiso 1 1 calc R U . . .
H26B H 0.165149 0.734708 0.180376 0.055 Uiso 1 1 calc R U . . .
H26C H 0.179858 0.686502 0.115173 0.055 Uiso 1 1 calc R U . . .
C24 C 0.7641(5) 0.69367(18) 0.7117(4) 0.0403(12) Uani 1 1 d . . . . .
H24A H 0.800802 0.719172 0.755208 0.060 Uiso 1 1 calc R U . . .
H24B H 0.831461 0.669555 0.699800 0.060 Uiso 1 1 calc R U . . .
H24C H 0.689133 0.679555 0.748811 0.060 Uiso 1 1 calc R U . . .
C9 C 0.2436(5) 0.48652(18) -0.0341(4) 0.0386(11) Uani 1 1 d . . . . .
H9A H 0.224017 0.514426 0.009075 0.058 Uiso 1 1 calc R U . . .
H9B H 0.175092 0.482479 -0.088272 0.058 Uiso 1 1 calc R U . . .
H9C H 0.328842 0.490586 -0.069082 0.058 Uiso 1 1 calc R U . . .
C10 C 0.1187(4) 0.43799(18) 0.1051(4) 0.0387(11) Uani 1 1 d . . . . .
H10A H 0.117988 0.407984 0.143848 0.058 Uiso 1 1 calc R U . . .
H10B H 0.042964 0.439323 0.056972 0.058 Uiso 1 1 calc R U . . .
H10C H 0.114001 0.464149 0.155956 0.058 Uiso 1 1 calc R U . . .
C11 C 0.2552(5) 0.39799(19) -0.0367(5) 0.0484(14) Uani 1 1 d . . . . .
H11A H 0.336994 0.399097 -0.077763 0.073 Uiso 1 1 calc R U . . .
H11B H 0.180126 0.398362 -0.085571 0.073 Uiso 1 1 calc R U . . .
H11C H 0.253119 0.369044 0.005922 0.073 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 O1 2.076(3) . ?
Sn1 N1 2.308(3) . ?
Sn1 N2 2.100(3) . ?
Si1 N2 1.734(3) . ?
Si1 C29 1.864(4) . ?
Si1 C30 1.875(4) . ?
Si1 C31 1.884(4) . ?
Si2 N2 1.725(3) . ?
Si2 C28 1.874(5) . ?
Si2 C27 1.870(4) . ?
Si2 C26 1.879(4) . ?
O1 C1 1.327(5) . ?
N1 C16 1.429(5) . ?
N1 C7 1.296(5) . ?
C1 C2 1.417(5) . ?
C1 C6 1.418(6) . ?
C3 H3 0.9300 . ?
C3 C2 1.386(5) . ?
C3 C4 1.399(5) . ?
C2 C8 1.533(6) . ?
C4 C5 1.379(6) . ?
C4 C12 1.532(5) . ?
C6 C7 1.442(6) . ?
C6 C5 1.408(5) . ?
C19 C18 1.394(6) . ?
C19 C22 1.530(6) . ?
C19 C20 1.392(6) . ?
C18 H18 0.9300 . ?
C18 C17 1.391(6) . ?
C17 H17 0.9300 . ?
C17 C16 1.386(6) . ?
C16 C21 1.391(6) . ?
C7 H7 0.9300 . ?
C5 H5 0.9300 . ?
C12 C15 1.526(6) . ?
C12 C13 1.531(6) . ?
C12 C14 1.534(6) . ?
C22 C25 1.531(6) . ?
C22 C23 1.536(6) . ?
C22 C24 1.529(7) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C20 H20 0.9300 . ?
C20 C21 1.381(6) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C21 H21 0.9300 . ?
C8 C9 1.531(6) . ?
C8 C10 1.529(6) . ?
C8 C11 1.538(6) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sn1 N1 81.46(11) . . ?
O1 Sn1 N2 95.57(12) . . ?
N2 Sn1 N1 95.60(12) . . ?
N2 Si1 C29 112.22(18) . . ?
N2 Si1 C30 109.61(18) . . ?
N2 Si1 C31 113.33(18) . . ?
C29 Si1 C30 110.5(2) . . ?
C29 Si1 C31 104.10(19) . . ?
C30 Si1 C31 106.88(19) . . ?
N2 Si2 C28 111.87(18) . . ?
N2 Si2 C27 111.42(19) . . ?
N2 Si2 C26 111.95(19) . . ?
C28 Si2 C26 105.1(2) . . ?
C27 Si2 C28 109.7(2) . . ?
C27 Si2 C26 106.5(2) . . ?
C1 O1 Sn1 126.6(2) . . ?
C16 N1 Sn1 119.5(2) . . ?
C7 N1 Sn1 122.3(3) . . ?
C7 N1 C16 118.0(3) . . ?
Si1 N2 Sn1 123.54(18) . . ?
Si2 N2 Sn1 114.85(17) . . ?
Si2 N2 Si1 120.98(19) . . ?
O1 C1 C2 120.1(4) . . ?
O1 C1 C6 121.2(4) . . ?
C2 C1 C6 118.6(4) . . ?
C2 C3 H3 117.5 . . ?
C2 C3 C4 125.0(4) . . ?
C4 C3 H3 117.5 . . ?
C1 C2 C8 120.8(4) . . ?
C3 C2 C1 118.0(4) . . ?
C3 C2 C8 121.2(4) . . ?
C3 C4 C12 123.1(4) . . ?
C5 C4 C3 116.0(4) . . ?
C5 C4 C12 120.9(4) . . ?
C1 C6 C7 124.8(4) . . ?
C5 C6 C1 120.0(4) . . ?
C5 C6 C7 115.2(4) . . ?
C18 C19 C22 123.2(4) . . ?
C20 C19 C18 116.8(4) . . ?
C20 C19 C22 120.0(4) . . ?
C19 C18 H18 119.2 . . ?
C17 C18 C19 121.6(4) . . ?
C17 C18 H18 119.2 . . ?
C18 C17 H17 119.8 . . ?
C16 C17 C18 120.4(4) . . ?
C16 C17 H17 119.8 . . ?
C17 C16 N1 122.4(4) . . ?
C17 C16 C21 118.8(4) . . ?
C21 C16 N1 118.8(4) . . ?
N1 C7 C6 127.1(4) . . ?
N1 C7 H7 116.4 . . ?
C6 C7 H7 116.4 . . ?
C4 C5 C6 122.3(4) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
C4 C12 C14 108.9(3) . . ?
C15 C12 C4 109.3(3) . . ?
C15 C12 C13 108.2(4) . . ?
C15 C12 C14 110.0(4) . . ?
C13 C12 C4 112.0(3) . . ?
C13 C12 C14 108.5(4) . . ?
C19 C22 C25 110.4(4) . . ?
C19 C22 C23 108.8(3) . . ?
C25 C22 C23 109.0(4) . . ?
C24 C22 C19 111.7(4) . . ?
C24 C22 C25 108.6(4) . . ?
C24 C22 C23 108.3(4) . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C19 C20 H20 118.9 . . ?
C21 C20 C19 122.3(4) . . ?
C21 C20 H20 118.9 . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C16 C21 H21 119.9 . . ?
C20 C21 C16 120.1(4) . . ?
C20 C21 H21 119.9 . . ?
C2 C8 C11 111.9(4) . . ?
C9 C8 C2 110.7(4) . . ?
C9 C8 C11 106.7(4) . . ?
C10 C8 C2 109.4(4) . . ?
C10 C8 C9 110.3(4) . . ?
C10 C8 C11 107.7(4) . . ?
Si1 C31 H31A 109.5 . . ?
Si1 C31 H31B 109.5 . . ?
Si1 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C26 H26A 109.5 . . ?
Si2 C26 H26B 109.5 . . ?
Si2 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sn1 O1 C1 C2 -138.3(3) . . . . ?
Sn1 O1 C1 C6 44.1(5) . . . . ?
Sn1 N1 C16 C17 147.9(3) . . . . ?
Sn1 N1 C16 C21 -31.0(5) . . . . ?
Sn1 N1 C7 C6 -6.7(5) . . . . ?
O1 C1 C2 C3 -174.9(3) . . . . ?
O1 C1 C2 C8 5.8(6) . . . . ?
O1 C1 C6 C7 -7.0(6) . . . . ?
O1 C1 C6 C5 173.6(4) . . . . ?
N1 C16 C21 C20 -179.1(4) . . . . ?
C1 C2 C8 C9 53.5(5) . . . . ?
C1 C2 C8 C10 -68.2(5) . . . . ?
C1 C2 C8 C11 172.4(4) . . . . ?
C1 C6 C7 N1 -10.6(6) . . . . ?
C1 C6 C5 C4 2.3(6) . . . . ?
C3 C2 C8 C9 -125.7(4) . . . . ?
C3 C2 C8 C10 112.5(4) . . . . ?
C3 C2 C8 C11 -6.9(6) . . . . ?
C3 C4 C5 C6 0.7(6) . . . . ?
C3 C4 C12 C15 -123.9(4) . . . . ?
C3 C4 C12 C13 -4.0(5) . . . . ?
C3 C4 C12 C14 115.9(4) . . . . ?
C2 C1 C6 C7 175.3(4) . . . . ?
C2 C1 C6 C5 -4.0(6) . . . . ?
C2 C3 C4 C5 -2.1(6) . . . . ?
C2 C3 C4 C12 178.7(4) . . . . ?
C4 C3 C2 C1 0.3(6) . . . . ?
C4 C3 C2 C8 179.6(4) . . . . ?
C6 C1 C2 C3 2.8(6) . . . . ?
C6 C1 C2 C8 -176.5(4) . . . . ?
C19 C18 C17 C16 0.9(6) . . . . ?
C19 C20 C21 C16 0.4(6) . . . . ?
C18 C19 C22 C25 -119.2(5) . . . . ?
C18 C19 C22 C23 121.3(5) . . . . ?
C18 C19 C22 C24 1.8(6) . . . . ?
C18 C19 C20 C21 -2.0(6) . . . . ?
C18 C17 C16 N1 178.5(4) . . . . ?
C18 C17 C16 C21 -2.5(6) . . . . ?
C17 C16 C21 C20 1.9(6) . . . . ?
C16 N1 C7 C6 179.2(4) . . . . ?
C7 N1 C16 C17 -37.8(5) . . . . ?
C7 N1 C16 C21 143.3(4) . . . . ?
C7 C6 C5 C4 -177.1(4) . . . . ?
C5 C4 C12 C15 57.0(5) . . . . ?
C5 C4 C12 C13 176.9(4) . . . . ?
C5 C4 C12 C14 -63.2(5) . . . . ?
C5 C6 C7 N1 168.8(4) . . . . ?
C12 C4 C5 C6 179.9(4) . . . . ?
C22 C19 C18 C17 -178.8(4) . . . . ?
C22 C19 C20 C21 178.2(4) . . . . ?
C29 Si1 N2 Sn1 43.6(3) . . . . ?
C29 Si1 N2 Si2 -145.9(2) . . . . ?
C30 Si1 N2 Sn1 -79.5(2) . . . . ?
C30 Si1 N2 Si2 90.9(3) . . . . ?
C20 C19 C18 C17 1.4(6) . . . . ?
C20 C19 C22 C25 60.6(5) . . . . ?
C20 C19 C22 C23 -58.9(5) . . . . ?
C20 C19 C22 C24 -178.4(4) . . . . ?
C28 Si2 N2 Sn1 124.0(2) . . . . ?
C28 Si2 N2 Si1 -47.2(3) . . . . ?
C31 Si1 N2 Sn1 161.2(2) . . . . ?
C31 Si1 N2 Si2 -28.4(3) . . . . ?
C27 Si2 N2 Sn1 -112.8(2) . . . . ?
C27 Si2 N2 Si1 76.0(3) . . . . ?
C26 Si2 N2 Sn1 6.3(3) . . . . ?
C26 Si2 N2 Si1 -164.9(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_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_p21_n
_database_code_depnum_ccdc_archive 'CCDC 2378872'
loop_
_audit_author_name
_audit_author_address
'Timothy Quek'
;VISTEC
Singapore
;
_audit_update_record             
;
2024-08-21 deposited with the CCDC.	2025-02-24 downloaded from the CCDC.
;
_audit_creation_date             2021-05-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H56 N2 O Si2 Sn'
_chemical_formula_sum            'C33 H56 N2 O Si2 Sn'
_chemical_formula_weight         671.66
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_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                   10.6210(13)
_cell_length_b                   18.034(2)
_cell_length_c                   18.943(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.493(4)
_cell_angle_gamma                90
_cell_volume                     3578.7(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9277
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.56
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.942
_shelx_estimated_absorpt_T_min   0.693
_exptl_absorpt_coefficient_mu    0.807
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1486 before and 0.0687 after correction.
The Ratio of minimum to maximum transmission is 0.8842.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       rhombic
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.262
_exptl_crystal_size_min          0.075
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_unetI/netI     0.0108
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            233627
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.627
_diffrn_reflns_theta_min         2.066
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10242
_reflns_number_total             11018
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.444
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         11018
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0178
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0214P)²+1.4195P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0459
_refine_ls_wR_factor_ref         0.0472
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(C11A)=Sof(H11D)=Sof(H11E)=Sof(H11F)=Sof(C12A)=Sof(H12D)=Sof(H12E)=
 Sof(H12F)=Sof(C10A)=Sof(H10D)=Sof(H10E)=Sof(H10F)=1-FVAR(1)
 Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)=
 Sof(C11)=Sof(H11A)=Sof(H11B)=Sof(H11C)=FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C23(H23), C22(H22)
3.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C5(H5), C3(H3), C20(H20), C19(H19), C18(H18)
3.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C28(H28A,H28B,
 H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C26(H26A,H26B,H26C), C27(H27A,
 H27B,H27C), C25(H25A,H25B,H25C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C),
 C24(H24A,H24B,H24C), C33(H33A,H33B,H33C), C10(H10A,H10B,H10C), C12(H12A,H12B,
 H12C), C11(H11A,H11B,H11C), C11A(H11D,H11E,H11F), C12A(H12D,H12E,H12F),
 C10A(H10D,H10E,H10F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.51293(2) 0.45069(2) 0.30476(2) 0.01413(2) Uani 1 1 d . . . . .
Si1 Si 0.66362(3) 0.56459(2) 0.20344(2) 0.01634(5) Uani 1 1 d . . . . .
Si2 Si 0.63032(3) 0.40227(2) 0.16666(2) 0.02178(6) Uani 1 1 d . . . . .
O1 O 0.50268(7) 0.55805(4) 0.34201(4) 0.01770(14) Uani 1 1 d . . . . .
N1 N 0.29813(8) 0.47703(4) 0.25819(4) 0.01352(14) Uani 1 1 d . . . . .
N2 N 0.59536(8) 0.47894(5) 0.21527(4) 0.01637(15) Uani 1 1 d . . . . .
C2 C 0.28335(9) 0.56219(5) 0.35780(5) 0.01283(15) Uani 1 1 d . . . . .
C7 C 0.23437(9) 0.52012(5) 0.29356(5) 0.01396(16) Uani 1 1 d . . . . .
H7 H 0.145749 0.524961 0.275755 0.017 Uiso 1 1 calc R U . . .
C4 C 0.22420(9) 0.62775(5) 0.45995(5) 0.01458(16) Uani 1 1 d . . . . .
C5 C 0.35419(9) 0.64449(5) 0.48035(5) 0.01389(16) Uani 1 1 d . . . . .
H5 H 0.378619 0.672066 0.523154 0.017 Uiso 1 1 calc R U . . .
C3 C 0.19089(9) 0.58777(5) 0.39755(5) 0.01538(17) Uani 1 1 d . . . . .
H3 H 0.103390 0.577197 0.380949 0.018 Uiso 1 1 calc R U . . .
C1 C 0.41435(9) 0.57961(5) 0.37978(5) 0.01222(15) Uani 1 1 d . . . . .
C9 C 0.58919(9) 0.64570(5) 0.46770(5) 0.01427(16) Uani 1 1 d . . . . .
C6 C 0.44961(9) 0.62354(5) 0.44230(5) 0.01211(15) Uani 1 1 d . . . . .
C21 C 0.20186(10) 0.48189(6) 0.13064(5) 0.01720(17) Uani 1 1 d . . . . .
C13 C 0.60435(10) 0.69486(6) 0.53467(6) 0.0227(2) Uani 1 1 d . . . . .
H13A H 0.553778 0.740155 0.524096 0.034 Uiso 1 1 calc R U . . .
H13B H 0.694487 0.707951 0.549038 0.034 Uiso 1 1 calc R U . . .
H13C H 0.574467 0.667870 0.573659 0.034 Uiso 1 1 calc R U . . .
C14 C 0.67092(10) 0.57588(6) 0.48686(6) 0.0233(2) Uani 1 1 d . . . . .
H14A H 0.635043 0.546707 0.522417 0.035 Uiso 1 1 calc R U . . .
H14B H 0.758504 0.590494 0.506668 0.035 Uiso 1 1 calc R U . . .
H14C H 0.671281 0.545973 0.443703 0.035 Uiso 1 1 calc R U . . .
C15 C 0.63874(10) 0.69102(6) 0.40916(6) 0.02006(19) Uani 1 1 d . . . . .
H15A H 0.636763 0.660299 0.366316 0.030 Uiso 1 1 calc R U . . .
H15B H 0.726600 0.706954 0.426547 0.030 Uiso 1 1 calc R U . . .
H15C H 0.584429 0.734687 0.397316 0.030 Uiso 1 1 calc R U . . .
C8 C 0.12670(10) 0.65180(6) 0.50654(6) 0.02054(19) Uani 1 1 d . . . . .
C16 C 0.23525(9) 0.44111(5) 0.19403(5) 0.01465(16) Uani 1 1 d . . . . .
C28 C 0.55365(11) 0.64488(6) 0.20687(6) 0.0250(2) Uani 1 1 d . . . . .
H28A H 0.487251 0.644375 0.164293 0.037 Uiso 1 1 calc R U . . .
H28B H 0.602138 0.691243 0.208230 0.037 Uiso 1 1 calc R U . . .
H28C H 0.513889 0.641155 0.249885 0.037 Uiso 1 1 calc R U . . .
C17 C 0.21581(10) 0.36393(6) 0.19605(6) 0.01920(18) Uani 1 1 d . . . . .
C23 C 0.20919(11) 0.56584(6) 0.12758(5) 0.01955(19) Uani 1 1 d . . . . .
H23 H 0.261508 0.583610 0.173208 0.023 Uiso 1 1 calc R U . . .
C22 C 0.23329(11) 0.32269(6) 0.26695(6) 0.0237(2) Uani 1 1 d . . . . .
H22 H 0.308972 0.344461 0.298562 0.028 Uiso 1 1 calc R U . . .
C20 C 0.15404(12) 0.44282(7) 0.06809(6) 0.0250(2) Uani 1 1 d . . . . .
H20 H 0.130865 0.469237 0.024497 0.030 Uiso 1 1 calc R U . . .
C29 C 0.80948(11) 0.57679(7) 0.27364(7) 0.0283(2) Uani 1 1 d . . . . .
H29A H 0.785278 0.573463 0.321277 0.043 Uiso 1 1 calc R U . . .
H29B H 0.847609 0.625447 0.267883 0.043 Uiso 1 1 calc R U . . .
H29C H 0.871549 0.537823 0.268348 0.043 Uiso 1 1 calc R U . . .
C30 C 0.71486(13) 0.57444(8) 0.11359(7) 0.0308(3) Uani 1 1 d . . . . .
H30A H 0.773104 0.533906 0.106720 0.046 Uiso 1 1 calc R U . . .
H30B H 0.758550 0.622025 0.111274 0.046 Uiso 1 1 calc R U . . .
H30C H 0.639669 0.572517 0.075916 0.046 Uiso 1 1 calc R U . . .
C26 C 0.07398(12) 0.59835(7) 0.12252(7) 0.0285(2) Uani 1 1 d . . . . .
H26A H 0.078007 0.652504 0.119169 0.043 Uiso 1 1 calc R U . . .
H26B H 0.038552 0.584561 0.165292 0.043 Uiso 1 1 calc R U . . .
H26C H 0.019313 0.578692 0.079893 0.043 Uiso 1 1 calc R U . . .
C27 C 0.27217(15) 0.59306(8) 0.06546(7) 0.0341(3) Uani 1 1 d . . . . .
H27A H 0.217291 0.581169 0.020049 0.051 Uiso 1 1 calc R U . . .
H27B H 0.355060 0.568624 0.067285 0.051 Uiso 1 1 calc R U . . .
H27C H 0.284574 0.646856 0.069190 0.051 Uiso 1 1 calc R U . . .
C19 C 0.13985(13) 0.36674(7) 0.06839(6) 0.0300(2) Uani 1 1 d . . . . .
H19 H 0.110073 0.341135 0.025021 0.036 Uiso 1 1 calc R U . . .
C18 C 0.16906(12) 0.32776(6) 0.13199(7) 0.0274(2) Uani 1 1 d . . . . .
H18 H 0.157071 0.275552 0.131987 0.033 Uiso 1 1 calc R U . . .
C25 C 0.11652(12) 0.33470(7) 0.30329(7) 0.0302(2) Uani 1 1 d . . . . .
H25A H 0.105028 0.387877 0.310786 0.045 Uiso 1 1 calc R U . . .
H25B H 0.129247 0.309109 0.349557 0.045 Uiso 1 1 calc R U . . .
H25C H 0.040497 0.314811 0.272803 0.045 Uiso 1 1 calc R U . . .
C31 C 0.80513(14) 0.39198(9) 0.16460(9) 0.0418(3) Uani 1 1 d . . . . .
H31A H 0.834367 0.433594 0.138224 0.063 Uiso 1 1 calc R U . . .
H31B H 0.820302 0.345326 0.140828 0.063 Uiso 1 1 calc R U . . .
H31C H 0.852211 0.391629 0.213653 0.063 Uiso 1 1 calc R U . . .
C32 C 0.53694(14) 0.40439(8) 0.07433(7) 0.0342(3) Uani 1 1 d . . . . .
H32A H 0.445558 0.402129 0.076737 0.051 Uiso 1 1 calc R U . . .
H32B H 0.560600 0.361777 0.047201 0.051 Uiso 1 1 calc R U . . .
H32C H 0.555562 0.450381 0.050491 0.051 Uiso 1 1 calc R U . . .
C24 C 0.25716(14) 0.23983(7) 0.26028(9) 0.0380(3) Uani 1 1 d . . . . .
H24A H 0.182028 0.216583 0.231882 0.057 Uiso 1 1 calc R U . . .
H24B H 0.273287 0.217449 0.308066 0.057 Uiso 1 1 calc R U . . .
H24C H 0.331516 0.232186 0.236618 0.057 Uiso 1 1 calc R U . . .
C33 C 0.58416(19) 0.31368(7) 0.20764(9) 0.0459(4) Uani 1 1 d . . . . .
H33A H 0.629365 0.309902 0.256973 0.069 Uiso 1 1 calc R U . . .
H33B H 0.607142 0.271461 0.179774 0.069 Uiso 1 1 calc R U . . .
H33C H 0.491877 0.313403 0.207582 0.069 Uiso 1 1 calc R U . . .
C10 C -0.0073(3) 0.6527(2) 0.46587(17) 0.0325(7) Uani 0.584(6) 1 d . . P A 1
H10A H -0.064767 0.673769 0.496089 0.049 Uiso 0.584(6) 1 calc R U P A 1
H10B H -0.034017 0.601941 0.452328 0.049 Uiso 0.584(6) 1 calc R U P A 1
H10C H -0.010407 0.682977 0.422653 0.049 Uiso 0.584(6) 1 calc R U P A 1
C12 C 0.1562(3) 0.73494(19) 0.5311(3) 0.0510(11) Uani 0.584(6) 1 d . . P A 1
H12A H 0.091920 0.751987 0.559044 0.076 Uiso 0.584(6) 1 calc R U P A 1
H12B H 0.153940 0.766557 0.488830 0.076 Uiso 0.584(6) 1 calc R U P A 1
H12C H 0.241053 0.737663 0.560600 0.076 Uiso 0.584(6) 1 calc R U P A 1
C11 C 0.1393(3) 0.6040(2) 0.57094(16) 0.0450(10) Uani 0.584(6) 1 d . . P A 1
H11A H 0.226527 0.607430 0.597399 0.067 Uiso 0.584(6) 1 calc R U P A 1
H11B H 0.120748 0.552453 0.556377 0.067 Uiso 0.584(6) 1 calc R U P A 1
H11C H 0.078911 0.620427 0.601642 0.067 Uiso 0.584(6) 1 calc R U P A 1
C11A C 0.0749(5) 0.5775(2) 0.5394(3) 0.0401(12) Uani 0.416(6) 1 d . . P A 2
H11D H 0.145640 0.552536 0.570087 0.060 Uiso 0.416(6) 1 calc R U P A 2
H11E H 0.038846 0.544193 0.500328 0.060 Uiso 0.416(6) 1 calc R U P A 2
H11F H 0.008765 0.590443 0.567700 0.060 Uiso 0.416(6) 1 calc R U P A 2
C12A C 0.1773(3) 0.6995(3) 0.5683(2) 0.0411(13) Uani 0.416(6) 1 d . . P A 2
H12D H 0.108792 0.710999 0.595439 0.062 Uiso 0.416(6) 1 calc R U P A 2
H12E H 0.210281 0.745686 0.551004 0.062 Uiso 0.416(6) 1 calc R U P A 2
H12F H 0.246331 0.673519 0.599275 0.062 Uiso 0.416(6) 1 calc R U P A 2
C10A C 0.0117(5) 0.6869(3) 0.4610(2) 0.0364(10) Uani 0.416(6) 1 d . . P A 2
H10D H -0.049654 0.702111 0.491559 0.055 Uiso 0.416(6) 1 calc R U P A 2
H10E H -0.028471 0.650878 0.425542 0.055 Uiso 0.416(6) 1 calc R U P A 2
H10F H 0.038863 0.730386 0.436371 0.055 Uiso 0.416(6) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 O1 2.0698(7) . ?
Sn1 N1 2.3547(9) . ?
Sn1 N2 2.0951(8) . ?
Si1 N2 1.7364(9) . ?
Si1 C28 1.8681(11) . ?
Si1 C29 1.8808(12) . ?
Si1 C30 1.8790(12) . ?
Si2 N2 1.7351(9) . ?
Si2 C31 1.8728(15) . ?
Si2 C32 1.8634(13) . ?
Si2 C33 1.8764(15) . ?
O1 C1 1.3283(11) . ?
N1 C7 1.2889(12) . ?
N1 C16 1.4406(12) . ?
C2 C7 1.4554(12) . ?
C2 C3 1.4100(13) . ?
C2 C1 1.4201(13) . ?
C7 H7 0.9500 . ?
C4 C5 1.4039(13) . ?
C4 C3 1.3800(13) . ?
C4 C8 1.5300(13) . ?
C5 H5 0.9500 . ?
C5 C6 1.3894(12) . ?
C3 H3 0.9500 . ?
C1 C6 1.4228(12) . ?
C9 C6 1.5341(13) . ?
C9 C13 1.5343(14) . ?
C9 C14 1.5384(14) . ?
C9 C15 1.5387(14) . ?
C21 C16 1.4029(13) . ?
C21 C23 1.5175(14) . ?
C21 C20 1.3999(14) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C8 C10 1.502(3) . ?
C8 C12 1.586(3) . ?
C8 C11 1.482(3) . ?
C8 C11A 1.613(4) . ?
C8 C12A 1.480(3) . ?
C8 C10A 1.513(4) . ?
C16 C17 1.4085(13) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C17 C22 1.5197(15) . ?
C17 C18 1.3949(14) . ?
C23 H23 1.0000 . ?
C23 C26 1.5394(16) . ?
C23 C27 1.5274(16) . ?
C22 H22 1.0000 . ?
C22 C25 1.5299(18) . ?
C22 C24 1.5245(17) . ?
C20 H20 0.9500 . ?
C20 C19 1.3805(17) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C19 H19 0.9500 . ?
C19 C18 1.3851(18) . ?
C18 H18 0.9500 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11A H11D 0.9800 . ?
C11A H11E 0.9800 . ?
C11A H11F 0.9800 . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sn1 N1 80.61(3) . . ?
O1 Sn1 N2 95.79(3) . . ?
N2 Sn1 N1 98.98(3) . . ?
N2 Si1 C28 114.10(5) . . ?
N2 Si1 C29 109.00(5) . . ?
N2 Si1 C30 112.98(5) . . ?
C28 Si1 C29 109.36(6) . . ?
C28 Si1 C30 103.56(6) . . ?
C30 Si1 C29 107.55(6) . . ?
N2 Si2 C31 112.94(6) . . ?
N2 Si2 C32 110.75(6) . . ?
N2 Si2 C33 111.45(5) . . ?
C31 Si2 C33 104.59(8) . . ?
C32 Si2 C31 111.00(7) . . ?
C32 Si2 C33 105.72(7) . . ?
C1 O1 Sn1 122.62(6) . . ?
C7 N1 Sn1 119.12(6) . . ?
C7 N1 C16 119.97(8) . . ?
C16 N1 Sn1 120.73(6) . . ?
Si1 N2 Sn1 124.04(4) . . ?
Si2 N2 Sn1 112.96(4) . . ?
Si2 N2 Si1 120.67(5) . . ?
C3 C2 C7 115.64(8) . . ?
C3 C2 C1 120.40(8) . . ?
C1 C2 C7 123.94(8) . . ?
N1 C7 C2 127.08(9) . . ?
N1 C7 H7 116.5 . . ?
C2 C7 H7 116.5 . . ?
C5 C4 C8 120.58(8) . . ?
C3 C4 C5 116.73(8) . . ?
C3 C4 C8 122.68(9) . . ?
C4 C5 H5 117.7 . . ?
C6 C5 C4 124.55(8) . . ?
C6 C5 H5 117.7 . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.71(9) . . ?
C4 C3 H3 119.1 . . ?
O1 C1 C2 121.47(8) . . ?
O1 C1 C6 119.93(8) . . ?
C2 C1 C6 118.55(8) . . ?
C6 C9 C13 111.97(8) . . ?
C6 C9 C14 109.83(8) . . ?
C6 C9 C15 109.88(8) . . ?
C13 C9 C14 107.43(8) . . ?
C13 C9 C15 106.70(8) . . ?
C14 C9 C15 110.98(8) . . ?
C5 C6 C1 117.97(8) . . ?
C5 C6 C9 121.08(8) . . ?
C1 C6 C9 120.94(8) . . ?
C16 C21 C23 123.26(8) . . ?
C20 C21 C16 117.76(9) . . ?
C20 C21 C23 118.92(9) . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C4 C8 C12 108.50(13) . . ?
C4 C8 C11A 107.05(13) . . ?
C10 C8 C4 112.40(13) . . ?
C10 C8 C12 105.37(19) . . ?
C11 C8 C4 109.40(12) . . ?
C11 C8 C10 112.19(19) . . ?
C11 C8 C12 108.8(2) . . ?
C12A C8 C4 115.38(15) . . ?
C12A C8 C11A 106.3(3) . . ?
C12A C8 C10A 111.2(3) . . ?
C10A C8 C4 110.42(19) . . ?
C10A C8 C11A 105.9(3) . . ?
C21 C16 N1 120.20(8) . . ?
C21 C16 C17 121.59(9) . . ?
C17 C16 N1 118.10(8) . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C16 C17 C22 120.70(9) . . ?
C18 C17 C16 118.12(10) . . ?
C18 C17 C22 120.93(10) . . ?
C21 C23 H23 108.1 . . ?
C21 C23 C26 109.21(9) . . ?
C21 C23 C27 112.44(10) . . ?
C26 C23 H23 108.1 . . ?
C27 C23 H23 108.1 . . ?
C27 C23 C26 110.62(10) . . ?
C17 C22 H22 107.8 . . ?
C17 C22 C25 109.78(9) . . ?
C17 C22 C24 113.85(11) . . ?
C25 C22 H22 107.8 . . ?
C24 C22 H22 107.8 . . ?
C24 C22 C25 109.53(10) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 C21 121.43(10) . . ?
C19 C20 H20 119.3 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 H27A 109.5 . . ?
C23 C27 H27B 109.5 . . ?
C23 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C20 C19 H19 120.0 . . ?
C20 C19 C18 119.94(10) . . ?
C18 C19 H19 120.0 . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.05(10) . . ?
C19 C18 H18 119.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C11A H11D 109.5 . . ?
C8 C11A H11E 109.5 . . ?
C8 C11A H11F 109.5 . . ?
H11D C11A H11E 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
C8 C12A H12D 109.5 . . ?
C8 C12A H12E 109.5 . . ?
C8 C12A H12F 109.5 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
C8 C10A H10D 109.5 . . ?
C8 C10A H10E 109.5 . . ?
C8 C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sn1 O1 C1 C2 -47.61(11) . . . . ?
Sn1 O1 C1 C6 134.79(7) . . . . ?
Sn1 N1 C7 C2 6.78(13) . . . . ?
Sn1 N1 C16 C21 -110.64(9) . . . . ?
Sn1 N1 C16 C17 65.63(11) . . . . ?
O1 C1 C6 C5 -179.66(8) . . . . ?
O1 C1 C6 C9 -0.88(13) . . . . ?
N1 C16 C17 C22 13.27(14) . . . . ?
N1 C16 C17 C18 -172.44(10) . . . . ?
C2 C1 C6 C5 2.67(13) . . . . ?
C2 C1 C6 C9 -178.55(8) . . . . ?
C7 N1 C16 C21 74.28(12) . . . . ?
C7 N1 C16 C17 -109.45(11) . . . . ?
C7 C2 C3 C4 179.39(9) . . . . ?
C7 C2 C1 O1 0.04(14) . . . . ?
C7 C2 C1 C6 177.67(8) . . . . ?
C4 C5 C6 C1 -2.56(14) . . . . ?
C4 C5 C6 C9 178.66(9) . . . . ?
C5 C4 C3 C2 2.65(14) . . . . ?
C5 C4 C8 C10 160.5(2) . . . . ?
C5 C4 C8 C12 44.4(2) . . . . ?
C5 C4 C8 C11 -74.2(2) . . . . ?
C5 C4 C8 C11A -111.8(2) . . . . ?
C5 C4 C8 C12A 6.3(3) . . . . ?
C5 C4 C8 C10A 133.4(3) . . . . ?
C3 C2 C7 N1 -162.49(9) . . . . ?
C3 C2 C1 O1 -177.93(9) . . . . ?
C3 C2 C1 C6 -0.30(13) . . . . ?
C3 C4 C5 C6 -0.10(14) . . . . ?
C3 C4 C8 C10 -20.9(2) . . . . ?
C3 C4 C8 C12 -137.1(2) . . . . ?
C3 C4 C8 C11 104.4(2) . . . . ?
C3 C4 C8 C11A 66.7(3) . . . . ?
C3 C4 C8 C12A -175.2(3) . . . . ?
C3 C4 C8 C10A -48.1(3) . . . . ?
C1 C2 C7 N1 19.45(15) . . . . ?
C1 C2 C3 C4 -2.48(14) . . . . ?
C21 C16 C17 C22 -170.52(10) . . . . ?
C21 C16 C17 C18 3.78(16) . . . . ?
C21 C20 C19 C18 2.2(2) . . . . ?
C13 C9 C6 C5 -3.00(12) . . . . ?
C13 C9 C6 C1 178.26(9) . . . . ?
C14 C9 C6 C5 116.27(10) . . . . ?
C14 C9 C6 C1 -62.47(11) . . . . ?
C15 C9 C6 C5 -121.38(10) . . . . ?
C15 C9 C6 C1 59.88(11) . . . . ?
C8 C4 C5 C6 178.53(9) . . . . ?
C8 C4 C3 C2 -175.96(9) . . . . ?
C16 N1 C7 C2 -178.06(9) . . . . ?
C16 C21 C23 C26 -102.73(12) . . . . ?
C16 C21 C23 C27 134.07(11) . . . . ?
C16 C21 C20 C19 0.07(18) . . . . ?
C16 C17 C22 C25 78.09(12) . . . . ?
C16 C17 C22 C24 -158.73(10) . . . . ?
C16 C17 C18 C19 -1.41(18) . . . . ?
C28 Si1 N2 Sn1 -56.71(7) . . . . ?
C28 Si1 N2 Si2 141.87(6) . . . . ?
C23 C21 C16 N1 -9.97(15) . . . . ?
C23 C21 C16 C17 173.89(10) . . . . ?
C23 C21 C20 C19 -177.07(11) . . . . ?
C22 C17 C18 C19 172.87(12) . . . . ?
C20 C21 C16 N1 173.02(10) . . . . ?
C20 C21 C16 C17 -3.11(15) . . . . ?
C20 C21 C23 C26 74.23(13) . . . . ?
C20 C21 C23 C27 -48.96(14) . . . . ?
C20 C19 C18 C17 -1.5(2) . . . . ?
C29 Si1 N2 Sn1 65.85(7) . . . . ?
C29 Si1 N2 Si2 -95.57(7) . . . . ?
C30 Si1 N2 Sn1 -174.65(6) . . . . ?
C30 Si1 N2 Si2 23.93(8) . . . . ?
C18 C17 C22 C25 -96.04(13) . . . . ?
C18 C17 C22 C24 27.14(15) . . . . ?
C31 Si2 N2 Sn1 -117.29(7) . . . . ?
C31 Si2 N2 Si1 46.05(9) . . . . ?
C32 Si2 N2 Sn1 117.50(6) . . . . ?
C32 Si2 N2 Si1 -79.16(8) . . . . ?
C33 Si2 N2 Sn1 0.10(8) . . . . ?
C33 Si2 N2 Si1 163.44(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_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_p21cmono
_database_code_depnum_ccdc_archive 'CCDC 2378873'
loop_
_audit_author_name
_audit_author_address
'Timothy Quek'
;VISTEC
Singapore
;
_audit_update_record             
;
2024-08-21 deposited with the CCDC.	2025-02-24 downloaded from the CCDC.
;
_audit_creation_date             2021-05-22
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C28 H43 F3 N2 O Si2 Sn)'
_chemical_formula_sum            'C56 H86 F6 N4 O2 Si4 Sn2'
_chemical_formula_weight         1311.02
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   21.5900(19)
_cell_length_b                   21.3852(17)
_cell_length_c                   14.0681(13)
_cell_angle_alpha                90
_cell_angle_beta                 101.530(3)
_cell_angle_gamma                90
_cell_volume                     6364.3(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9748
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.42
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   0.931
_shelx_estimated_absorpt_T_min   0.597
_exptl_absorpt_coefficient_mu    0.918
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6422
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1565 before and 0.0601 after correction.
The Ratio of minimum to maximum transmission is 0.8616.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2704
_exptl_crystal_size_max          0.627
_exptl_crystal_size_mid          0.362
_exptl_crystal_size_min          0.079
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            289330
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         1.857
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11446
_reflns_number_total             12556
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.727
_refine_diff_density_min         -0.899
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     689
_refine_ls_number_reflns         12556
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0285
_refine_ls_R_factor_gt           0.0243
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0233P)²+8.9098P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0563
_refine_ls_wR_factor_ref         0.0583
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(F6) = Uanis(F6A) = Uanis(F5) = Uanis(F5A) = Uanis(F4) = Uanis(F4A)
3. Others
 Sof(F4A)=Sof(F5A)=Sof(F6A)=1-FVAR(1)
 Sof(F6)=Sof(F5)=Sof(F4)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C35(H35), C31(H31), C33(H33), C45(H45), C46(H46), C48(H48), C49(H49), C7(H7),
 C5(H5), C3(H3), C21(H21), C20(H20), C18(H18), C17(H17)
4.b Idealised Me refined as rotating group:
 C41(H41A,H41B,H41C), C43(H43A,H43B,H43C), C42(H42A,H42B,H42C), C39(H39A,H39B,
 H39C), C40(H40A,H40B,H40C), C38(H38A,H38B,H38C), C55(H55A,H55B,H55C), C56(H56A,
 H56B,H56C), C54(H54A,H54B,H54C), C52(H52A,H52B,H52C), C53(H53A,H53B,H53C),
 C51(H51A,H51B,H51C), C26(H26A,H26B,H26C), C28(H28A,H28B,H28C), C27(H27A,H27B,
 H27C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C23(H23A,H23B,H23C), C10(H10A,
 H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C15(H15A,H15B,H15C),
 C14(H14A,H14B,H14C), C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn2 Sn 0.62869(2) 0.51687(2) 0.59316(2) 0.01267(4) Uani 1 1 d . . . . .
Sn1 Sn 0.12161(2) 0.96736(2) 0.05856(2) 0.01131(4) Uani 1 1 d . . . . .
Si4 Si 0.72266(3) 0.61420(3) 0.51848(4) 0.01877(12) Uani 1 1 d . . . . .
Si3 Si 0.69626(3) 0.64312(3) 0.71676(4) 0.01567(11) Uani 1 1 d . . . . .
Si2 Si 0.20525(3) 0.86295(3) 0.21651(4) 0.01449(11) Uani 1 1 d . . . . .
Si1 Si 0.20892(3) 0.85570(3) 0.00478(4) 0.01763(12) Uani 1 1 d . . . . .
F6 F 0.37572(15) 0.76273(15) 0.3210(2) 0.0407(4) Uani 0.567(3) 1 d . . P A 1
F5 F 0.46424(17) 0.81026(14) 0.3566(2) 0.0407(4) Uani 0.567(3) 1 d . . P A 1
F4 F 0.44820(16) 0.74219(16) 0.2417(3) 0.0407(4) Uani 0.567(3) 1 d . . P A 1
F3 F -0.08960(7) 0.72878(6) -0.24689(10) 0.0342(3) Uani 1 1 d . . . . .
F2 F -0.00469(6) 0.68071(6) -0.18527(10) 0.0284(3) Uani 1 1 d . . . . .
F1 F -0.08620(7) 0.66894(7) -0.12275(10) 0.0346(3) Uani 1 1 d . . . . .
O2 O 0.63010(6) 0.50359(6) 0.73996(10) 0.0146(3) Uani 1 1 d . . . . .
O1 O 0.12267(6) 0.99885(6) 0.19839(10) 0.0133(3) Uani 1 1 d . . . . .
N3 N 0.53370(7) 0.56514(7) 0.60469(12) 0.0122(3) Uani 1 1 d . . . . .
N4 N 0.68237(8) 0.59887(8) 0.61073(12) 0.0137(3) Uani 1 1 d . . . . .
N2 N 0.17892(7) 0.88898(7) 0.09836(12) 0.0127(3) Uani 1 1 d . . . . .
N1 N 0.03038(7) 0.91935(7) 0.08376(11) 0.0115(3) Uani 1 1 d . . . . .
C35 C 0.50098(9) 0.54536(9) 0.66636(14) 0.0137(4) Uani 1 1 d . . . . .
H35 H 0.461387 0.563438 0.662679 0.016 Uiso 1 1 calc R U . . .
C30 C 0.51924(9) 0.49834(9) 0.74018(14) 0.0125(4) Uani 1 1 d . . . . .
C31 C 0.47009(9) 0.47397(9) 0.78175(14) 0.0137(4) Uani 1 1 d . . . . .
H31 H 0.429406 0.489734 0.761937 0.016 Uiso 1 1 calc R U . . .
C32 C 0.48057(9) 0.42757(9) 0.85071(14) 0.0136(4) Uani 1 1 d . . . . .
C33 C 0.54345(9) 0.40621(9) 0.87906(14) 0.0126(4) Uani 1 1 d . . . . .
H33 H 0.551305 0.374588 0.925281 0.015 Uiso 1 1 calc R U . . .
C34 C 0.59419(9) 0.42887(9) 0.84314(14) 0.0118(4) Uani 1 1 d . . . . .
C29 C 0.58255(9) 0.47748(9) 0.77230(14) 0.0122(4) Uani 1 1 d . . . . .
C37 C 0.66156(9) 0.40425(9) 0.88151(14) 0.0137(4) Uani 1 1 d . . . . .
C41 C 0.66167(10) 0.34596(10) 0.94533(16) 0.0198(4) Uani 1 1 d . . . . .
H41A H 0.637809 0.313270 0.908009 0.030 Uiso 1 1 calc R U . . .
H41B H 0.642903 0.356004 0.999789 0.030 Uiso 1 1 calc R U . . .
H41C H 0.704382 0.332167 0.968069 0.030 Uiso 1 1 calc R U . . .
C43 C 0.69474(10) 0.38573(10) 0.79843(16) 0.0194(4) Uani 1 1 d . . . . .
H43A H 0.702983 0.422575 0.763998 0.029 Uiso 1 1 calc R U . . .
H43B H 0.667995 0.357960 0.754765 0.029 Uiso 1 1 calc R U . . .
H43C H 0.733914 0.365117 0.824726 0.029 Uiso 1 1 calc R U . . .
C42 C 0.69931(10) 0.45561(10) 0.94432(15) 0.0188(4) Uani 1 1 d . . . . .
H42A H 0.741570 0.441138 0.968916 0.028 Uiso 1 1 calc R U . . .
H42B H 0.679247 0.465347 0.997554 0.028 Uiso 1 1 calc R U . . .
H42C H 0.700696 0.492406 0.905718 0.028 Uiso 1 1 calc R U . . .
C36 C 0.42928(9) 0.40064(10) 0.89982(15) 0.0172(4) Uani 1 1 d . . . . .
C39 C 0.43068(12) 0.32915(11) 0.8977(2) 0.0352(6) Uani 1 1 d . . . . .
H39A H 0.420860 0.314950 0.831689 0.053 Uiso 1 1 calc R U . . .
H39B H 0.400025 0.312920 0.932193 0.053 Uiso 1 1 calc R U . . .
H39C H 0.472019 0.314700 0.928001 0.053 Uiso 1 1 calc R U . . .
C40 C 0.44220(13) 0.42241(13) 1.00611(18) 0.0365(6) Uani 1 1 d . . . . .
H40A H 0.483006 0.407745 1.038486 0.055 Uiso 1 1 calc R U . . .
H40B H 0.410343 0.405827 1.037890 0.055 Uiso 1 1 calc R U . . .
H40C H 0.441318 0.467266 1.008332 0.055 Uiso 1 1 calc R U . . .
C38 C 0.36358(11) 0.42180(15) 0.8503(2) 0.0445(8) Uani 1 1 d . . . . .
H38A H 0.361066 0.466562 0.853226 0.067 Uiso 1 1 calc R U . . .
H38B H 0.332802 0.403628 0.882753 0.067 Uiso 1 1 calc R U . . .
H38C H 0.355343 0.408605 0.783783 0.067 Uiso 1 1 calc R U . . .
C44 C 0.50852(9) 0.61316(9) 0.53796(14) 0.0126(4) Uani 1 1 d . . . . .
C45 C 0.52136(10) 0.61055(10) 0.44496(14) 0.0163(4) Uani 1 1 d . . . . .
H45 H 0.545550 0.577895 0.428240 0.020 Uiso 1 1 calc R U . . .
C46 C 0.49842(10) 0.65615(10) 0.37705(15) 0.0178(4) Uani 1 1 d . . . . .
H46 H 0.506810 0.653933 0.314813 0.021 Uiso 1 1 calc R U . . .
C47 C 0.46283(9) 0.70519(9) 0.40253(15) 0.0164(4) Uani 1 1 d . . . . .
C50 C 0.43999(11) 0.75612(10) 0.33163(16) 0.0219(5) Uani 1 1 d . . . . .
C48 C 0.45030(10) 0.70814(9) 0.49514(15) 0.0173(4) Uani 1 1 d . . . . .
H48 H 0.426299 0.740940 0.511895 0.021 Uiso 1 1 calc R U . . .
C49 C 0.47321(9) 0.66263(9) 0.56296(15) 0.0158(4) Uani 1 1 d . . . . .
H49 H 0.464983 0.665138 0.625261 0.019 Uiso 1 1 calc R U . . .
C55 C 0.81036(11) 0.61854(12) 0.56348(19) 0.0306(6) Uani 1 1 d . . . . .
H55A H 0.820056 0.652274 0.609060 0.046 Uiso 1 1 calc R U . . .
H55B H 0.830764 0.625679 0.509759 0.046 Uiso 1 1 calc R U . . .
H55C H 0.825176 0.579901 0.594673 0.046 Uiso 1 1 calc R U . . .
C56 C 0.69548(14) 0.68749(13) 0.4507(2) 0.0394(6) Uani 1 1 d . . . . .
H56A H 0.650321 0.686592 0.430145 0.059 Uiso 1 1 calc R U . . .
H56B H 0.714640 0.690613 0.394863 0.059 Uiso 1 1 calc R U . . .
H56C H 0.707493 0.722944 0.492103 0.059 Uiso 1 1 calc R U . . .
C54 C 0.70967(11) 0.54997(12) 0.42542(16) 0.0275(5) Uani 1 1 d . . . . .
H54A H 0.724040 0.511001 0.455909 0.041 Uiso 1 1 calc R U . . .
H54B H 0.732901 0.559091 0.375585 0.041 Uiso 1 1 calc R U . . .
H54C H 0.665447 0.547022 0.397235 0.041 Uiso 1 1 calc R U . . .
C52 C 0.62352(11) 0.65609(11) 0.76704(17) 0.0243(5) Uani 1 1 d . . . . .
H52A H 0.591476 0.675019 0.718389 0.036 Uiso 1 1 calc R U . . .
H52B H 0.633225 0.683190 0.822422 0.036 Uiso 1 1 calc R U . . .
H52C H 0.608462 0.616723 0.786148 0.036 Uiso 1 1 calc R U . . .
C53 C 0.75824(11) 0.60502(12) 0.81005(17) 0.0291(5) Uani 1 1 d . . . . .
H53A H 0.746515 0.562398 0.818643 0.044 Uiso 1 1 calc R U . . .
H53B H 0.762223 0.627029 0.870444 0.044 Uiso 1 1 calc R U . . .
H53C H 0.797914 0.605997 0.789114 0.044 Uiso 1 1 calc R U . . .
C51 C 0.72548(11) 0.72381(10) 0.69690(19) 0.0270(5) Uani 1 1 d . . . . .
H51A H 0.763069 0.720903 0.670468 0.041 Uiso 1 1 calc R U . . .
H51B H 0.734799 0.745734 0.757638 0.041 Uiso 1 1 calc R U . . .
H51C H 0.693499 0.746063 0.652445 0.041 Uiso 1 1 calc R U . . .
C26 C 0.14415(12) 0.86681(11) 0.29305(17) 0.0280(5) Uani 1 1 d . . . . .
H26A H 0.132848 0.909650 0.300810 0.042 Uiso 1 1 calc R U . . .
H26B H 0.160758 0.848906 0.355526 0.042 Uiso 1 1 calc R U . . .
H26C H 0.107382 0.843850 0.262233 0.042 Uiso 1 1 calc R U . . .
C28 C 0.22855(12) 0.77832(10) 0.22143(18) 0.0274(5) Uani 1 1 d . . . . .
H28A H 0.191766 0.753018 0.199266 0.041 Uiso 1 1 calc R U . . .
H28B H 0.247232 0.767155 0.286988 0.041 Uiso 1 1 calc R U . . .
H28C H 0.258578 0.771466 0.180542 0.041 Uiso 1 1 calc R U . . .
C27 C 0.27645(11) 0.90935(11) 0.27378(17) 0.0263(5) Uani 1 1 d . . . . .
H27A H 0.310661 0.900307 0.241603 0.039 Uiso 1 1 calc R U . . .
H27B H 0.288532 0.898404 0.341126 0.039 Uiso 1 1 calc R U . . .
H27C H 0.266684 0.953153 0.268002 0.039 Uiso 1 1 calc R U . . .
C24 C 0.17303(13) 0.77723(12) -0.03015(19) 0.0336(6) Uani 1 1 d . . . . .
H24A H 0.188768 0.747509 0.020018 0.050 Uiso 1 1 calc R U . . .
H24B H 0.184035 0.763920 -0.089807 0.050 Uiso 1 1 calc R U . . .
H24C H 0.127881 0.780023 -0.038561 0.050 Uiso 1 1 calc R U . . .
C25 C 0.19111(11) 0.90574(12) -0.10695(16) 0.0288(5) Uani 1 1 d . . . . .
H25A H 0.146172 0.910246 -0.127345 0.043 Uiso 1 1 calc R U . . .
H25B H 0.208048 0.886371 -0.157797 0.043 Uiso 1 1 calc R U . . .
H25C H 0.209994 0.946187 -0.092848 0.043 Uiso 1 1 calc R U . . .
C23 C 0.29714(11) 0.84784(12) 0.03161(18) 0.0278(5) Uani 1 1 d . . . . .
H23A H 0.316026 0.888412 0.044269 0.042 Uiso 1 1 calc R U . . .
H23B H 0.310588 0.829474 -0.023154 0.042 Uiso 1 1 calc R U . . .
H23C H 0.310003 0.821624 0.087456 0.042 Uiso 1 1 calc R U . . .
C7 C -0.00130(9) 0.93834(9) 0.14713(14) 0.0127(4) Uani 1 1 d . . . . .
H7 H -0.038889 0.917346 0.148165 0.015 Uiso 1 1 calc R U . . .
C2 C 0.01496(9) 0.98833(9) 0.21636(14) 0.0117(4) Uani 1 1 d . . . . .
C1 C 0.07523(9) 1.01720(9) 0.23834(14) 0.0114(4) Uani 1 1 d . . . . .
C6 C 0.08548(9) 1.06591(8) 0.30946(13) 0.0108(4) Uani 1 1 d . . . . .
C5 C 0.03545(9) 1.08266(9) 0.35194(14) 0.0125(4) Uani 1 1 d . . . . .
H5 H 0.041940 1.115148 0.396776 0.015 Uiso 1 1 calc R U . . .
C4 C -0.02475(9) 1.05418(9) 0.33243(14) 0.0129(4) Uani 1 1 d . . . . .
C3 C -0.03338(9) 1.00692(9) 0.26498(14) 0.0126(4) Uani 1 1 d . . . . .
H3 H -0.072185 0.986532 0.250835 0.015 Uiso 1 1 calc R U . . .
C8 C -0.07575(9) 1.07642(10) 0.38654(15) 0.0158(4) Uani 1 1 d . . . . .
C10 C -0.13484(10) 1.03515(10) 0.36346(16) 0.0205(4) Uani 1 1 d . . . . .
H10A H -0.152730 1.037490 0.295357 0.031 Uiso 1 1 calc R U . . .
H10B H -0.165288 1.049452 0.399812 0.031 Uiso 1 1 calc R U . . .
H10C H -0.123544 0.992629 0.380737 0.031 Uiso 1 1 calc R U . . .
C11 C -0.09395(10) 1.14428(10) 0.35702(17) 0.0222(5) Uani 1 1 d . . . . .
H11A H -0.057496 1.170689 0.374616 0.033 Uiso 1 1 calc R U . . .
H11B H -0.126389 1.158170 0.389867 0.033 Uiso 1 1 calc R U . . .
H11C H -0.109308 1.146330 0.288177 0.033 Uiso 1 1 calc R U . . .
C12 C -0.05097(10) 1.07395(12) 0.49682(15) 0.0234(5) Uani 1 1 d . . . . .
H12A H -0.042586 1.031314 0.516660 0.035 Uiso 1 1 calc R U . . .
H12B H -0.082154 1.091090 0.529440 0.035 Uiso 1 1 calc R U . . .
H12C H -0.012713 1.097887 0.513228 0.035 Uiso 1 1 calc R U . . .
C9 C 0.15112(9) 1.09593(9) 0.34097(14) 0.0133(4) Uani 1 1 d . . . . .
C15 C 0.17649(10) 1.12192(10) 0.25402(15) 0.0180(4) Uani 1 1 d . . . . .
H15A H 0.146977 1.151690 0.219680 0.027 Uiso 1 1 calc R U . . .
H15B H 0.181858 1.088244 0.211278 0.027 Uiso 1 1 calc R U . . .
H15C H 0.216441 1.142028 0.276923 0.027 Uiso 1 1 calc R U . . .
C14 C 0.19600(9) 1.04599(10) 0.39533(16) 0.0200(4) Uani 1 1 d . . . . .
H14A H 0.236999 1.064047 0.418031 0.030 Uiso 1 1 calc R U . . .
H14B H 0.199410 1.011913 0.352258 0.030 Uiso 1 1 calc R U . . .
H14C H 0.179586 1.030866 0.449613 0.030 Uiso 1 1 calc R U . . .
C13 C 0.15031(10) 1.15085(10) 0.41097(15) 0.0178(4) Uani 1 1 d . . . . .
H13A H 0.137347 1.136195 0.468471 0.027 Uiso 1 1 calc R U . . .
H13B H 0.121186 1.182117 0.380123 0.027 Uiso 1 1 calc R U . . .
H13C H 0.191896 1.168599 0.428081 0.027 Uiso 1 1 calc R U . . .
C16 C 0.00768(9) 0.86717(9) 0.02370(14) 0.0116(4) Uani 1 1 d . . . . .
C21 C -0.01488(10) 0.81356(10) 0.06124(15) 0.0180(4) Uani 1 1 d . . . . .
H21 H -0.016075 0.811338 0.126868 0.022 Uiso 1 1 calc R U . . .
C20 C -0.03560(10) 0.76345(10) 0.00073(15) 0.0188(4) Uani 1 1 d . . . . .
H20 H -0.051295 0.727882 0.025740 0.023 Uiso 1 1 calc R U . . .
C19 C -0.03305(9) 0.76607(9) -0.09664(14) 0.0143(4) Uani 1 1 d . . . . .
C22 C -0.05356(10) 0.71173(10) -0.16183(15) 0.0181(4) Uani 1 1 d . . . . .
C18 C -0.00967(10) 0.81922(10) -0.13413(14) 0.0165(4) Uani 1 1 d . . . . .
H18 H -0.007641 0.820975 -0.199489 0.020 Uiso 1 1 calc R U . . .
C17 C 0.01057(9) 0.86944(9) -0.07416(14) 0.0158(4) Uani 1 1 d . . . . .
H17 H 0.026210 0.904974 -0.099349 0.019 Uiso 1 1 calc R U . . .
F4A F 0.4240(2) 0.7378(2) 0.2399(4) 0.0407(4) Uani 0.433(3) 1 d . . P A 2
F5A F 0.4877(2) 0.79994(19) 0.3297(3) 0.0407(4) Uani 0.433(3) 1 d . . P A 2
F6A F 0.3919(2) 0.7887(2) 0.3495(3) 0.0407(4) Uani 0.433(3) 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn2 O2 2.0789(14) . ?
Sn2 N3 2.3304(16) . ?
Sn2 N4 2.0893(16) . ?
Sn1 O1 2.0751(13) . ?
Sn1 N2 2.0920(16) . ?
Sn1 N1 2.3106(16) . ?
Si4 N4 1.7319(17) . ?
Si4 C55 1.875(2) . ?
Si4 C56 1.868(3) . ?
Si4 C54 1.879(2) . ?
Si3 N4 1.7412(17) . ?
Si3 C52 1.868(2) . ?
Si3 C53 1.864(2) . ?
Si3 C51 1.877(2) . ?
Si2 N2 1.7373(17) . ?
Si2 C26 1.864(2) . ?
Si2 C28 1.876(2) . ?
Si2 C27 1.871(2) . ?
Si1 N2 1.7322(17) . ?
Si1 C24 1.872(2) . ?
Si1 C25 1.877(2) . ?
Si1 C23 1.874(2) . ?
F6 C50 1.373(4) . ?
F5 C50 1.290(4) . ?
F4 C50 1.346(4) . ?
F3 C22 1.341(2) . ?
F2 C22 1.342(2) . ?
F1 C22 1.338(2) . ?
O2 C29 1.326(2) . ?
O1 C1 1.322(2) . ?
N3 C35 1.294(3) . ?
N3 C44 1.424(2) . ?
N1 C7 1.293(3) . ?
N1 C16 1.426(2) . ?
C35 H35 0.9300 . ?
C35 C30 1.443(3) . ?
C30 C31 1.410(3) . ?
C30 C29 1.423(3) . ?
C31 H31 0.9300 . ?
C31 C32 1.375(3) . ?
C32 C33 1.412(3) . ?
C32 C36 1.530(3) . ?
C33 H33 0.9300 . ?
C33 C34 1.383(3) . ?
C34 C29 1.427(3) . ?
C34 C37 1.540(3) . ?
C37 C41 1.536(3) . ?
C37 C43 1.540(3) . ?
C37 C42 1.537(3) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C36 C39 1.529(3) . ?
C36 C40 1.537(3) . ?
C36 C38 1.519(3) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C44 C45 1.392(3) . ?
C44 C49 1.390(3) . ?
C45 H45 0.9300 . ?
C45 C46 1.386(3) . ?
C46 H46 0.9300 . ?
C46 C47 1.389(3) . ?
C47 C50 1.493(3) . ?
C47 C48 1.384(3) . ?
C50 F4A 1.326(5) . ?
C50 F5A 1.397(5) . ?
C50 F6A 1.316(5) . ?
C48 H48 0.9300 . ?
C48 C49 1.383(3) . ?
C49 H49 0.9300 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C7 H7 0.9300 . ?
C7 C2 1.442(3) . ?
C2 C1 1.418(3) . ?
C2 C3 1.414(3) . ?
C1 C6 1.430(3) . ?
C6 C5 1.382(3) . ?
C6 C9 1.538(3) . ?
C5 H5 0.9300 . ?
C5 C4 1.412(3) . ?
C4 C3 1.373(3) . ?
C4 C8 1.534(3) . ?
C3 H3 0.9300 . ?
C8 C10 1.532(3) . ?
C8 C11 1.539(3) . ?
C8 C12 1.538(3) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C9 C15 1.540(3) . ?
C9 C14 1.539(3) . ?
C9 C13 1.535(3) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C16 C21 1.390(3) . ?
C16 C17 1.391(3) . ?
C21 H21 0.9300 . ?
C21 C20 1.386(3) . ?
C20 H20 0.9300 . ?
C20 C19 1.383(3) . ?
C19 C22 1.492(3) . ?
C19 C18 1.390(3) . ?
C18 H18 0.9300 . ?
C18 C17 1.382(3) . ?
C17 H17 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Sn2 N3 80.19(5) . . ?
O2 Sn2 N4 95.71(6) . . ?
N4 Sn2 N3 95.46(6) . . ?
O1 Sn1 N2 96.46(6) . . ?
O1 Sn1 N1 81.19(5) . . ?
N2 Sn1 N1 94.56(6) . . ?
N4 Si4 C55 112.39(10) . . ?
N4 Si4 C56 112.84(11) . . ?
N4 Si4 C54 110.87(9) . . ?
C55 Si4 C54 105.75(11) . . ?
C56 Si4 C55 108.90(13) . . ?
C56 Si4 C54 105.64(12) . . ?
N4 Si3 C52 113.03(9) . . ?
N4 Si3 C53 110.00(10) . . ?
N4 Si3 C51 112.18(10) . . ?
C52 Si3 C51 104.65(11) . . ?
C53 Si3 C52 109.75(11) . . ?
C53 Si3 C51 106.94(11) . . ?
N2 Si2 C26 113.86(9) . . ?
N2 Si2 C28 112.24(10) . . ?
N2 Si2 C27 109.00(9) . . ?
C26 Si2 C28 103.71(11) . . ?
C26 Si2 C27 110.07(12) . . ?
C27 Si2 C28 107.73(11) . . ?
N2 Si1 C24 111.70(10) . . ?
N2 Si1 C25 110.92(10) . . ?
N2 Si1 C23 113.78(10) . . ?
C24 Si1 C25 106.65(12) . . ?
C24 Si1 C23 108.86(12) . . ?
C23 Si1 C25 104.46(11) . . ?
C29 O2 Sn2 122.66(12) . . ?
C1 O1 Sn1 129.53(12) . . ?
C35 N3 Sn2 120.52(13) . . ?
C35 N3 C44 119.34(17) . . ?
C44 N3 Sn2 119.92(12) . . ?
Si4 N4 Sn2 114.84(9) . . ?
Si4 N4 Si3 120.85(10) . . ?
Si3 N4 Sn2 123.64(9) . . ?
Si2 N2 Sn1 125.15(9) . . ?
Si1 N2 Sn1 114.64(9) . . ?
Si1 N2 Si2 119.66(9) . . ?
C7 N1 Sn1 123.44(13) . . ?
C7 N1 C16 119.20(16) . . ?
C16 N1 Sn1 117.34(12) . . ?
N3 C35 H35 116.5 . . ?
N3 C35 C30 127.08(18) . . ?
C30 C35 H35 116.5 . . ?
C31 C30 C35 115.86(17) . . ?
C31 C30 C29 120.48(18) . . ?
C29 C30 C35 123.64(18) . . ?
C30 C31 H31 119.1 . . ?
C32 C31 C30 121.89(18) . . ?
C32 C31 H31 119.1 . . ?
C31 C32 C33 116.50(18) . . ?
C31 C32 C36 123.95(18) . . ?
C33 C32 C36 119.50(17) . . ?
C32 C33 H33 117.6 . . ?
C34 C33 C32 124.80(18) . . ?
C34 C33 H33 117.6 . . ?
C33 C34 C29 117.95(17) . . ?
C33 C34 C37 120.93(17) . . ?
C29 C34 C37 121.07(17) . . ?
O2 C29 C30 121.29(17) . . ?
O2 C29 C34 120.38(17) . . ?
C30 C29 C34 118.29(17) . . ?
C34 C37 C43 111.84(16) . . ?
C41 C37 C34 111.93(16) . . ?
C41 C37 C43 106.76(17) . . ?
C41 C37 C42 107.76(16) . . ?
C42 C37 C34 108.20(16) . . ?
C42 C37 C43 110.27(16) . . ?
C37 C41 H41A 109.5 . . ?
C37 C41 H41B 109.5 . . ?
C37 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C43 H43A 109.5 . . ?
C37 C43 H43B 109.5 . . ?
C37 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C32 C36 C40 108.55(17) . . ?
C39 C36 C32 110.41(18) . . ?
C39 C36 C40 108.7(2) . . ?
C38 C36 C32 112.01(18) . . ?
C38 C36 C39 108.0(2) . . ?
C38 C36 C40 109.1(2) . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C36 C40 H40A 109.5 . . ?
C36 C40 H40B 109.5 . . ?
C36 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C45 C44 N3 117.99(17) . . ?
C49 C44 N3 122.59(18) . . ?
C49 C44 C45 119.40(18) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 C44 120.61(19) . . ?
C46 C45 H45 119.7 . . ?
C45 C46 H46 120.2 . . ?
C45 C46 C47 119.56(19) . . ?
C47 C46 H46 120.2 . . ?
C46 C47 C50 120.29(19) . . ?
C48 C47 C46 119.98(19) . . ?
C48 C47 C50 119.70(19) . . ?
F6 C50 C47 109.8(2) . . ?
F5 C50 F6 106.5(2) . . ?
F5 C50 F4 109.4(3) . . ?
F5 C50 C47 114.3(2) . . ?
F4 C50 F6 103.9(2) . . ?
F4 C50 C47 112.3(2) . . ?
F4A C50 C47 114.9(3) . . ?
F4A C50 F5A 103.2(3) . . ?
F5A C50 C47 110.9(2) . . ?
F6A C50 C47 115.2(2) . . ?
F6A C50 F4A 106.3(3) . . ?
F6A C50 F5A 105.2(3) . . ?
C47 C48 H48 119.8 . . ?
C49 C48 C47 120.47(19) . . ?
C49 C48 H48 119.8 . . ?
C44 C49 H49 120.0 . . ?
C48 C49 C44 119.98(19) . . ?
C48 C49 H49 120.0 . . ?
Si4 C55 H55A 109.5 . . ?
Si4 C55 H55B 109.5 . . ?
Si4 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
Si4 C56 H56A 109.5 . . ?
Si4 C56 H56B 109.5 . . ?
Si4 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
Si4 C54 H54A 109.5 . . ?
Si4 C54 H54B 109.5 . . ?
Si4 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
Si3 C52 H52A 109.5 . . ?
Si3 C52 H52B 109.5 . . ?
Si3 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
Si3 C53 H53A 109.5 . . ?
Si3 C53 H53B 109.5 . . ?
Si3 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
Si3 C51 H51A 109.5 . . ?
Si3 C51 H51B 109.5 . . ?
Si3 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
Si2 C26 H26A 109.5 . . ?
Si2 C26 H26B 109.5 . . ?
Si2 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si1 C25 H25A 109.5 . . ?
Si1 C25 H25B 109.5 . . ?
Si1 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si1 C23 H23A 109.5 . . ?
Si1 C23 H23B 109.5 . . ?
Si1 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C7 H7 116.3 . . ?
N1 C7 C2 127.43(18) . . ?
C2 C7 H7 116.3 . . ?
C1 C2 C7 124.02(17) . . ?
C3 C2 C7 115.56(17) . . ?
C3 C2 C1 120.40(17) . . ?
O1 C1 C2 122.22(17) . . ?
O1 C1 C6 119.26(17) . . ?
C2 C1 C6 118.46(17) . . ?
C1 C6 C9 120.68(16) . . ?
C5 C6 C1 117.79(17) . . ?
C5 C6 C9 121.45(17) . . ?
C6 C5 H5 117.5 . . ?
C6 C5 C4 124.94(18) . . ?
C4 C5 H5 117.5 . . ?
C5 C4 C8 119.61(17) . . ?
C3 C4 C5 116.39(17) . . ?
C3 C4 C8 124.00(18) . . ?
C2 C3 H3 119.0 . . ?
C4 C3 C2 121.98(18) . . ?
C4 C3 H3 119.0 . . ?
C4 C8 C11 109.17(17) . . ?
C4 C8 C12 110.52(16) . . ?
C10 C8 C4 111.48(17) . . ?
C10 C8 C11 109.23(17) . . ?
C10 C8 C12 107.53(17) . . ?
C12 C8 C11 108.86(17) . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C12 H12A 109.5 . . ?
C8 C12 H12B 109.5 . . ?
C8 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C6 C9 C15 112.03(16) . . ?
C6 C9 C14 107.81(16) . . ?
C14 C9 C15 110.89(17) . . ?
C13 C9 C6 112.10(16) . . ?
C13 C9 C15 106.55(16) . . ?
C13 C9 C14 107.40(16) . . ?
C9 C15 H15A 109.5 . . ?
C9 C15 H15B 109.5 . . ?
C9 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C9 C14 H14A 109.5 . . ?
C9 C14 H14B 109.5 . . ?
C9 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C21 C16 N1 121.67(17) . . ?
C21 C16 C17 119.54(18) . . ?
C17 C16 N1 118.75(17) . . ?
C16 C21 H21 120.0 . . ?
C20 C21 C16 119.92(19) . . ?
C20 C21 H21 120.0 . . ?
C21 C20 H20 119.8 . . ?
C19 C20 C21 120.34(19) . . ?
C19 C20 H20 119.8 . . ?
C20 C19 C22 120.78(18) . . ?
C20 C19 C18 119.89(19) . . ?
C18 C19 C22 119.31(18) . . ?
F3 C22 F2 105.04(17) . . ?
F3 C22 C19 112.64(17) . . ?
F2 C22 C19 112.63(17) . . ?
F1 C22 F3 107.05(17) . . ?
F1 C22 F2 105.51(17) . . ?
F1 C22 C19 113.34(17) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 C19 119.90(18) . . ?
C17 C18 H18 120.0 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.39(18) . . ?
C18 C17 H17 119.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sn2 O2 C29 C30 -50.1(2) . . . . ?
Sn2 O2 C29 C34 131.98(15) . . . . ?
Sn2 N3 C35 C30 6.8(3) . . . . ?
Sn2 N3 C44 C45 30.3(2) . . . . ?
Sn2 N3 C44 C49 -148.27(15) . . . . ?
Sn1 O1 C1 C2 36.7(3) . . . . ?
Sn1 O1 C1 C6 -146.20(14) . . . . ?
Sn1 N1 C7 C2 -4.3(3) . . . . ?
Sn1 N1 C16 C21 137.53(16) . . . . ?
Sn1 N1 C16 C17 -40.0(2) . . . . ?
O1 C1 C6 C5 -178.06(17) . . . . ?
O1 C1 C6 C9 -1.2(3) . . . . ?
N3 C35 C30 C31 -164.75(19) . . . . ?
N3 C35 C30 C29 16.4(3) . . . . ?
N3 C44 C45 C46 -179.66(18) . . . . ?
N3 C44 C49 C48 179.61(18) . . . . ?
N1 C7 C2 C1 -12.7(3) . . . . ?
N1 C7 C2 C3 168.82(18) . . . . ?
N1 C16 C21 C20 -178.97(18) . . . . ?
N1 C16 C17 C18 178.55(18) . . . . ?
C35 N3 C44 C45 -144.28(19) . . . . ?
C35 N3 C44 C49 37.2(3) . . . . ?
C35 C30 C31 C32 177.98(18) . . . . ?
C35 C30 C29 O2 4.5(3) . . . . ?
C35 C30 C29 C34 -177.55(18) . . . . ?
C30 C31 C32 C33 1.0(3) . . . . ?
C30 C31 C32 C36 178.46(18) . . . . ?
C31 C30 C29 O2 -174.25(17) . . . . ?
C31 C30 C29 C34 3.7(3) . . . . ?
C31 C32 C33 C34 0.5(3) . . . . ?
C31 C32 C36 C39 131.4(2) . . . . ?
C31 C32 C36 C40 -109.5(2) . . . . ?
C31 C32 C36 C38 11.0(3) . . . . ?
C32 C33 C34 C29 0.1(3) . . . . ?
C32 C33 C34 C37 177.66(18) . . . . ?
C33 C32 C36 C39 -51.2(3) . . . . ?
C33 C32 C36 C40 67.9(2) . . . . ?
C33 C32 C36 C38 -171.6(2) . . . . ?
C33 C34 C29 O2 175.77(17) . . . . ?
C33 C34 C29 C30 -2.2(3) . . . . ?
C33 C34 C37 C41 10.9(3) . . . . ?
C33 C34 C37 C43 130.67(19) . . . . ?
C33 C34 C37 C42 -107.7(2) . . . . ?
C29 C30 C31 C32 -3.1(3) . . . . ?
C29 C34 C37 C41 -171.61(18) . . . . ?
C29 C34 C37 C43 -51.9(2) . . . . ?
C29 C34 C37 C42 69.8(2) . . . . ?
C37 C34 C29 O2 -1.8(3) . . . . ?
C37 C34 C29 C30 -179.72(17) . . . . ?
C36 C32 C33 C34 -177.06(18) . . . . ?
C44 N3 C35 C30 -178.61(18) . . . . ?
C44 C45 C46 C47 0.6(3) . . . . ?
C45 C44 C49 C48 1.1(3) . . . . ?
C45 C46 C47 C50 177.47(19) . . . . ?
C45 C46 C47 C48 -0.2(3) . . . . ?
C46 C47 C50 F6 126.0(2) . . . . ?
C46 C47 C50 F5 -114.4(3) . . . . ?
C46 C47 C50 F4 10.9(3) . . . . ?
C46 C47 C50 F4A 35.6(4) . . . . ?
C46 C47 C50 F5A -81.0(3) . . . . ?
C46 C47 C50 F6A 159.7(3) . . . . ?
C46 C47 C48 C49 0.3(3) . . . . ?
C47 C48 C49 C44 -0.7(3) . . . . ?
C50 C47 C48 C49 -177.45(19) . . . . ?
C48 C47 C50 F6 -56.2(3) . . . . ?
C48 C47 C50 F5 63.3(3) . . . . ?
C48 C47 C50 F4 -171.3(2) . . . . ?
C48 C47 C50 F4A -146.7(3) . . . . ?
C48 C47 C50 F5A 96.7(3) . . . . ?
C48 C47 C50 F6A -22.6(4) . . . . ?
C49 C44 C45 C46 -1.0(3) . . . . ?
C55 Si4 N4 Sn2 -120.07(11) . . . . ?
C55 Si4 N4 Si3 50.88(15) . . . . ?
C56 Si4 N4 Sn2 116.31(12) . . . . ?
C56 Si4 N4 Si3 -72.74(15) . . . . ?
C54 Si4 N4 Sn2 -1.96(13) . . . . ?
C54 Si4 N4 Si3 168.99(11) . . . . ?
C52 Si3 N4 Sn2 -45.61(14) . . . . ?
C52 Si3 N4 Si4 144.27(12) . . . . ?
C53 Si3 N4 Sn2 77.46(13) . . . . ?
C53 Si3 N4 Si4 -92.67(13) . . . . ?
C51 Si3 N4 Sn2 -163.65(11) . . . . ?
C51 Si3 N4 Si4 26.23(15) . . . . ?
C26 Si2 N2 Sn1 41.19(15) . . . . ?
C26 Si2 N2 Si1 -147.80(12) . . . . ?
C28 Si2 N2 Sn1 158.63(11) . . . . ?
C28 Si2 N2 Si1 -30.36(14) . . . . ?
C27 Si2 N2 Sn1 -82.11(13) . . . . ?
C27 Si2 N2 Si1 88.90(13) . . . . ?
C24 Si1 N2 Sn1 -110.96(12) . . . . ?
C24 Si1 N2 Si2 77.12(14) . . . . ?
C25 Si1 N2 Sn1 7.87(13) . . . . ?
C25 Si1 N2 Si2 -164.05(11) . . . . ?
C23 Si1 N2 Sn1 125.29(11) . . . . ?
C23 Si1 N2 Si2 -46.63(14) . . . . ?
C7 N1 C16 C21 -44.2(3) . . . . ?
C7 N1 C16 C17 138.28(19) . . . . ?
C7 C2 C1 O1 -2.1(3) . . . . ?
C7 C2 C1 C6 -179.27(17) . . . . ?
C7 C2 C3 C4 -179.62(18) . . . . ?
C2 C1 C6 C5 -0.8(3) . . . . ?
C2 C1 C6 C9 176.01(17) . . . . ?
C1 C2 C3 C4 1.9(3) . . . . ?
C1 C6 C5 C4 1.8(3) . . . . ?
C1 C6 C9 C15 55.3(2) . . . . ?
C1 C6 C9 C14 -67.0(2) . . . . ?
C1 C6 C9 C13 175.00(17) . . . . ?
C6 C5 C4 C3 -0.9(3) . . . . ?
C6 C5 C4 C8 178.63(18) . . . . ?
C5 C6 C9 C15 -128.00(19) . . . . ?
C5 C6 C9 C14 109.7(2) . . . . ?
C5 C6 C9 C13 -8.3(3) . . . . ?
C5 C4 C3 C2 -1.0(3) . . . . ?
C5 C4 C8 C10 -173.78(17) . . . . ?
C5 C4 C8 C11 65.4(2) . . . . ?
C5 C4 C8 C12 -54.3(2) . . . . ?
C3 C2 C1 O1 176.24(17) . . . . ?
C3 C2 C1 C6 -0.9(3) . . . . ?
C3 C4 C8 C10 5.7(3) . . . . ?
C3 C4 C8 C11 -115.1(2) . . . . ?
C3 C4 C8 C12 125.2(2) . . . . ?
C8 C4 C3 C2 179.52(18) . . . . ?
C9 C6 C5 C4 -175.03(18) . . . . ?
C16 N1 C7 C2 177.53(18) . . . . ?
C16 C21 C20 C19 1.0(3) . . . . ?
C21 C16 C17 C18 0.9(3) . . . . ?
C21 C20 C19 C22 178.3(2) . . . . ?
C21 C20 C19 C18 -0.1(3) . . . . ?
C20 C19 C22 F3 135.7(2) . . . . ?
C20 C19 C22 F2 -105.8(2) . . . . ?
C20 C19 C22 F1 13.9(3) . . . . ?
C20 C19 C18 C17 -0.4(3) . . . . ?
C19 C18 C17 C16 0.0(3) . . . . ?
C22 C19 C18 C17 -178.83(18) . . . . ?
C18 C19 C22 F3 -46.0(3) . . . . ?
C18 C19 C22 F2 72.6(2) . . . . ?
C18 C19 C22 F1 -167.70(18) . . . . ?
C17 C16 C21 C20 -1.4(3) . . . . ?

