# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 2178246'
loop_
_audit_author_name
_audit_author_address
'Rui Wei'
;southern university of science and thehnology
China
;
_audit_update_record             
;
2022-06-10 deposited with the CCDC.	2024-08-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C45 H53 N2 P Sn'
_chemical_formula_sum            'C45 H53 N2 P Sn'
_chemical_formula_weight         771.55
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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                   10.1795(4)
_cell_length_b                   10.3793(2)
_cell_length_c                   38.5800(9)
_cell_angle_alpha                90
_cell_angle_beta                 91.604(2)
_cell_angle_gamma                90
_cell_volume                     4074.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      68.19
_cell_measurement_theta_min      4.41
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.586
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.5882
_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 0.0713 after correction.
The Ratio of minimum to maximum transmission is 0.7810.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0688
_diffrn_reflns_av_unetI/netI     0.0560
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            35056
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.322
_diffrn_reflns_theta_min         2.291
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.11
_diffrn_source_power             0.0555
_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                5938
_reflns_number_total             7314
_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  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.442
_refine_diff_density_min         -1.002
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.166
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     450
_refine_ls_number_reflns         7314
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0983
_refine_ls_R_factor_gt           0.0799
_refine_ls_restrained_S_all      1.186
_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)+26.0003P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1486
_refine_ls_wR_factor_ref         0.1556
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
C01D \\sim C01C \\sim C00X \\sim C018 \\sim C012 \\sim C019 \\sim C016 \\sim
C015 \\sim C00R \\sim C01A \\sim C017 \\sim C01B: within 2A with sigma of 0.005
and sigma for terminal atoms of 0.01 within 2A
2.a Ternary CH refined with riding coordinates:
 C00F(H00F), C00J(H00J), C00X(H00), C017(H017)
2.b Secondary CH2 refined with riding coordinates:
 C00H(H00G,H00H), C00N(H00N,H00O)
2.c Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00B(H00B), C00C(H00C), C00D(H00D), C00E(H00E), C00I(H00I),
 C00K(H00K), C00L(H00L), C00M(H00M), C00O(H00P), C00P(H00Q), C00Q(H00R),
 C00T(H00V), C00W(H00Z), C00Y(H1), C00Z(H2), C010(H010), C014(H014), C016(H016),
  C018(H018), C019(H019)
2.d Idealised Me refined as rotating group:
 C00S(H00S,H00T,H00U), C00U(H00W,H00X,H00Y), C011(H01A,H01B,H01C), C013(H01D,
 H01E,H01F), C01A(H01G,H01H,H01I), C01B(H01J,H01K,H01L), C01C(H01M,H01N,H01O),
 C01D(H01P,H01Q,H01R)
;
_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
Sn01 Sn 0.55291(6) 0.31210(4) 0.36887(2) 0.04375(17) Uani 1 1 d . . . . .
P002 P 0.2593(2) 0.43619(15) 0.39294(4) 0.0436(5) Uani 1 1 d . . . . .
N003 N 0.1307(6) 0.4414(5) 0.36518(12) 0.0348(13) Uani 1 1 d . . . . .
N004 N 0.1792(8) 0.5090(5) 0.42379(13) 0.0512(18) Uani 1 1 d . . . . .
C005 C 0.1846(7) 0.5197(5) 0.30714(15) 0.0331(15) Uani 1 1 d . . . . .
C006 C 0.5127(7) 0.1939(6) 0.32429(15) 0.0362(15) Uani 1 1 d . . . . .
C007 C 0.1378(7) 0.4204(5) 0.32827(14) 0.0305(15) Uani 1 1 d . . . . .
C008 C 0.0932(7) 0.3026(6) 0.31459(15) 0.0327(14) Uani 1 1 d . . . . .
C009 C 0.6740(8) 0.1923(6) 0.40282(16) 0.0462(19) Uani 1 1 d . . . . .
C00A C 0.0926(7) 0.2871(6) 0.27869(16) 0.0403(17) Uani 1 1 d . . . . .
H00A H 0.061752 0.208795 0.268670 0.048 Uiso 1 1 calc R U . . .
C00B C 0.5370(7) -0.0101(6) 0.29515(17) 0.0412(17) Uani 1 1 d . . . . .
H00B H 0.570823 -0.095387 0.295025 0.049 Uiso 1 1 calc R U . . .
C00C C 0.5603(7) 0.0683(6) 0.32357(17) 0.0390(17) Uani 1 1 d . . . . .
H00C H 0.609672 0.035929 0.342940 0.047 Uiso 1 1 calc R U . . .
C00D C 0.1830(7) 0.4985(6) 0.27152(15) 0.0396(17) Uani 1 1 d . . . . .
H00D H 0.214584 0.563450 0.256532 0.048 Uiso 1 1 calc R U . . .
C00E C 0.1361(7) 0.3841(6) 0.25769(15) 0.0392(17) Uani 1 1 d . . . . .
H00E H 0.133915 0.372279 0.233260 0.047 Uiso 1 1 calc R U . . .
C00F C 0.0498(7) 0.1953(6) 0.33801(16) 0.0417(17) Uani 1 1 d . . . . .
H00F H 0.017741 0.236477 0.359634 0.050 Uiso 1 1 calc R U . . .
C00G C 0.6620(8) 0.4790(6) 0.35398(17) 0.048(2) Uani 1 1 d . . . . .
C00H C 0.0209(8) 0.5191(6) 0.37748(16) 0.0427(18) Uani 1 1 d . . . . .
H00G H -0.064209 0.479898 0.370325 0.051 Uiso 1 1 calc R U . . .
H00H H 0.024744 0.607631 0.367980 0.051 Uiso 1 1 calc R U . . .
C00I C 0.4405(8) 0.2381(6) 0.29580(15) 0.0406(18) Uani 1 1 d . . . . .
H00I H 0.406633 0.323394 0.295756 0.049 Uiso 1 1 calc R U . . .
C00J C 0.2350(8) 0.6478(6) 0.32123(17) 0.0429(19) Uani 1 1 d . . . . .
H00J H 0.225751 0.646358 0.346965 0.051 Uiso 1 1 calc R U . . .
C00K C 0.4172(8) 0.1590(7) 0.26729(16) 0.0445(19) Uani 1 1 d . . . . .
H00K H 0.367883 0.190636 0.247815 0.053 Uiso 1 1 calc R U . . .
C00L C 0.6621(9) 0.5858(7) 0.3758(2) 0.054(2) Uani 1 1 d . . . . .
H00L H 0.620913 0.580247 0.397575 0.065 Uiso 1 1 calc R U . . .
C00M C 0.4651(8) 0.0349(7) 0.26708(16) 0.0448(18) Uani 1 1 d . . . . .
H00M H 0.448528 -0.019202 0.247599 0.054 Uiso 1 1 calc R U . . .
C00N C 0.0371(10) 0.5212(7) 0.41720(17) 0.057(2) Uani 1 1 d . . . . .
H00N H 0.003749 0.602980 0.426794 0.068 Uiso 1 1 calc R U . . .
H00O H -0.010615 0.448446 0.427671 0.068 Uiso 1 1 calc R U . . .
C00O C 0.8065(9) 0.2136(7) 0.40603(18) 0.049(2) Uani 1 1 d . . . . .
H00P H 0.845090 0.282873 0.393829 0.059 Uiso 1 1 calc R U . . .
C00P C 0.7249(9) 0.4886(7) 0.32264(18) 0.058(2) Uani 1 1 d . . . . .
H00Q H 0.726827 0.416335 0.307573 0.069 Uiso 1 1 calc R U . . .
C00Q C 0.7857(10) 0.6042(8) 0.3129(2) 0.066(3) Uani 1 1 d . . . . .
H00R H 0.828767 0.609996 0.291471 0.079 Uiso 1 1 calc R U . . .
C00R C 0.2384(13) 0.5387(8) 0.4574(2) 0.090(2) Uani 1 1 d . U . . .
C00S C 0.1676(9) 0.1105(6) 0.3487(2) 0.058(2) Uani 1 1 d . . . . .
H00S H 0.205961 0.073294 0.327920 0.088 Uiso 1 1 calc R U . . .
H00T H 0.138386 0.041163 0.363867 0.088 Uiso 1 1 calc R U . . .
H00U H 0.233792 0.163036 0.361048 0.088 Uiso 1 1 calc R U . . .
C00T C 0.8290(11) 0.0357(8) 0.44500(19) 0.067(3) Uani 1 1 d . . . . .
H00V H 0.882277 -0.018790 0.459319 0.081 Uiso 1 1 calc R U . . .
C00U C -0.0638(9) 0.1147(8) 0.3229(2) 0.062(2) Uani 1 1 d . . . . .
H00W H -0.133545 0.172010 0.314028 0.093 Uiso 1 1 calc R U . . .
H00X H -0.098477 0.059037 0.340958 0.093 Uiso 1 1 calc R U . . .
H00Y H -0.032074 0.061430 0.303852 0.093 Uiso 1 1 calc R U . . .
C00V C 0.4003(9) 0.3783(7) 0.39764(18) 0.052(2) Uani 1 1 d . . . . .
C00W C 0.7823(10) 0.7100(7) 0.3350(2) 0.065(3) Uani 1 1 d . . . . .
H00Z H 0.822097 0.788633 0.328281 0.078 Uiso 1 1 calc R U . . .
C00X C 0.2694(15) 0.7667(9) 0.4355(3) 0.099(2) Uani 1 1 d . U . . .
H00 H 0.206152 0.733690 0.417249 0.119 Uiso 1 1 calc R U . . .
C00Y C 0.7223(9) 0.7019(7) 0.3662(2) 0.065(3) Uani 1 1 d . . . . .
H1 H 0.721254 0.774291 0.381218 0.078 Uiso 1 1 calc R U . . .
C00Z C 0.6206(10) 0.0927(8) 0.4207(2) 0.072(3) Uani 1 1 d . . . . .
H2 H 0.529065 0.076001 0.418159 0.087 Uiso 1 1 calc R U . . .
C010 C 0.8848(10) 0.1347(8) 0.4270(2) 0.066(3) Uani 1 1 d . . . . .
H010 H 0.976903 0.149206 0.428934 0.079 Uiso 1 1 calc R U . . .
C011 C 0.3803(10) 0.6643(7) 0.3140(2) 0.064(3) Uani 1 1 d . . . . .
H01A H 0.429565 0.590635 0.323494 0.096 Uiso 1 1 calc R U . . .
H01B H 0.412691 0.743813 0.324980 0.096 Uiso 1 1 calc R U . . .
H01C H 0.392106 0.669251 0.288928 0.096 Uiso 1 1 calc R U . . .
C012 C 0.2823(13) 0.6649(8) 0.4631(2) 0.094(2) Uani 1 1 d . U . . .
C013 C 0.1540(10) 0.7614(7) 0.3070(2) 0.068(3) Uani 1 1 d . . . . .
H01D H 0.167543 0.770008 0.282061 0.103 Uiso 1 1 calc R U . . .
H01E H 0.182077 0.840716 0.318830 0.103 Uiso 1 1 calc R U . . .
H01F H 0.060683 0.746116 0.311020 0.103 Uiso 1 1 calc R U . . .
C014 C 0.6971(12) 0.0157(8) 0.4423(2) 0.081(3) Uani 1 1 d . . . . .
H014 H 0.657722 -0.051221 0.455183 0.097 Uiso 1 1 calc R U . . .
C015 C 0.2461(14) 0.4443(9) 0.4827(2) 0.100(2) Uani 1 1 d . U . . .
C016 C 0.3075(14) 0.4755(10) 0.5142(2) 0.110(2) Uani 1 1 d . U . . .
H016 H 0.319355 0.410758 0.531348 0.132 Uiso 1 1 calc R U . . .
C017 C 0.1992(14) 0.3092(9) 0.4768(2) 0.104(2) Uani 1 1 d . U . . .
H017 H 0.161880 0.305661 0.452524 0.125 Uiso 1 1 calc R U . . .
C018 C 0.3382(14) 0.6913(10) 0.4960(2) 0.104(2) Uani 1 1 d . U . . .
H018 H 0.367690 0.776185 0.501052 0.125 Uiso 1 1 calc R U . . .
C019 C 0.3514(14) 0.5982(10) 0.5209(2) 0.111(2) Uani 1 1 d . U . . .
H019 H 0.390894 0.618411 0.542816 0.133 Uiso 1 1 calc R U . . .
C01A C 0.3097(15) 0.2113(9) 0.4789(2) 0.115(3) Uani 1 1 d . U . . .
H01G H 0.372127 0.228487 0.460629 0.172 Uiso 1 1 calc R U . . .
H01H H 0.273396 0.124446 0.475997 0.172 Uiso 1 1 calc R U . . .
H01I H 0.354957 0.217824 0.501636 0.172 Uiso 1 1 calc R U . . .
C01B C 0.0873(15) 0.2755(10) 0.5008(2) 0.116(3) Uani 1 1 d . U . . .
H01J H 0.119796 0.277986 0.524977 0.174 Uiso 1 1 calc R U . . .
H01K H 0.054398 0.188967 0.495346 0.174 Uiso 1 1 calc R U . . .
H01L H 0.015904 0.338163 0.497607 0.174 Uiso 1 1 calc R U . . .
C01C C 0.3970(17) 0.7911(14) 0.4184(4) 0.142(4) Uani 1 1 d . U . . .
H01M H 0.457267 0.835361 0.434660 0.214 Uiso 1 1 calc R U . . .
H01N H 0.381668 0.845148 0.397823 0.214 Uiso 1 1 calc R U . . .
H01O H 0.435651 0.708934 0.411451 0.214 Uiso 1 1 calc R U . . .
C01D C 0.2176(18) 0.8903(12) 0.4479(4) 0.147(4) Uani 1 1 d . U . . .
H01P H 0.122331 0.893342 0.443606 0.220 Uiso 1 1 calc R U . . .
H01Q H 0.259303 0.961411 0.435663 0.220 Uiso 1 1 calc R U . . .
H01R H 0.236701 0.898468 0.472891 0.220 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
Sn01 C006 2.143(6) . ?
Sn01 C009 2.166(6) . ?
Sn01 C00G 2.145(7) . ?
Sn01 C00V 2.053(9) . ?
P002 N003 1.669(5) . ?
P002 N004 1.645(6) . ?
P002 C00V 1.562(9) . ?
N003 C007 1.445(7) . ?
N003 C00H 1.467(9) . ?
N004 C00N 1.467(11) . ?
N004 C00R 1.448(9) . ?
C005 C007 1.406(8) . ?
C005 C00D 1.392(8) . ?
C005 C00J 1.519(8) . ?
C006 C00C 1.392(9) . ?
C006 C00I 1.383(9) . ?
C007 C008 1.402(8) . ?
C008 C00A 1.394(8) . ?
C008 C00F 1.508(8) . ?
C009 C00O 1.369(11) . ?
C009 C00Z 1.364(10) . ?
C00A H00A 0.9500 . ?
C00A C00E 1.373(9) . ?
C00B H00B 0.9500 . ?
C00B C00C 1.380(9) . ?
C00B C00M 1.372(10) . ?
C00C H00C 0.9500 . ?
C00D H00D 0.9500 . ?
C00D C00E 1.382(9) . ?
C00E H00E 0.9500 . ?
C00F H00F 1.0000 . ?
C00F C00S 1.535(10) . ?
C00F C00U 1.530(10) . ?
C00G C00L 1.393(10) . ?
C00G C00P 1.387(11) . ?
C00H H00G 0.9900 . ?
C00H H00H 0.9900 . ?
C00H C00N 1.537(9) . ?
C00I H00I 0.9500 . ?
C00I C00K 1.388(9) . ?
C00J H00J 1.0000 . ?
C00J C011 1.522(12) . ?
C00J C013 1.532(10) . ?
C00K H00K 0.9500 . ?
C00K C00M 1.378(10) . ?
C00L H00L 0.9500 . ?
C00L C00Y 1.407(10) . ?
C00M H00M 0.9500 . ?
C00N H00N 0.9900 . ?
C00N H00O 0.9900 . ?
C00O H00P 0.9500 . ?
C00O C010 1.388(10) . ?
C00P H00Q 0.9500 . ?
C00P C00Q 1.406(10) . ?
C00Q H00R 0.9500 . ?
C00Q C00W 1.389(12) . ?
C00R C012 1.400(13) . ?
C00R C015 1.385(12) . ?
C00S H00S 0.9800 . ?
C00S H00T 0.9800 . ?
C00S H00U 0.9800 . ?
C00T H00V 0.9500 . ?
C00T C010 1.373(12) . ?
C00T C014 1.359(14) . ?
C00U H00W 0.9800 . ?
C00U H00X 0.9800 . ?
C00U H00Y 0.9800 . ?
C00W H00Z 0.9500 . ?
C00W C00Y 1.368(12) . ?
C00X H00 1.0000 . ?
C00X C012 1.505(13) . ?
C00X C01C 1.494(19) . ?
C00X C01D 1.473(14) . ?
C00Y H1 0.9500 . ?
C00Z H2 0.9500 . ?
C00Z C014 1.380(11) . ?
C010 H010 0.9500 . ?
C011 H01A 0.9800 . ?
C011 H01B 0.9800 . ?
C011 H01C 0.9800 . ?
C012 C018 1.401(11) . ?
C013 H01D 0.9800 . ?
C013 H01E 0.9800 . ?
C013 H01F 0.9800 . ?
C014 H014 0.9500 . ?
C015 C016 1.386(12) . ?
C015 C017 1.497(14) . ?
C016 H016 0.9500 . ?
C016 C019 1.372(14) . ?
C017 H017 1.0000 . ?
C017 C01A 1.516(16) . ?
C017 C01B 1.530(18) . ?
C018 H018 0.9500 . ?
C018 C019 1.367(14) . ?
C019 H019 0.9500 . ?
C01A H01G 0.9800 . ?
C01A H01H 0.9800 . ?
C01A H01I 0.9800 . ?
C01B H01J 0.9800 . ?
C01B H01K 0.9800 . ?
C01B H01L 0.9800 . ?
C01C H01M 0.9800 . ?
C01C H01N 0.9800 . ?
C01C H01O 0.9800 . ?
C01D H01P 0.9800 . ?
C01D H01Q 0.9800 . ?
C01D H01R 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
C006 Sn01 C009 104.4(2) . . ?
C006 Sn01 C00G 109.6(3) . . ?
C00G Sn01 C009 109.6(3) . . ?
C00V Sn01 C006 119.7(3) . . ?
C00V Sn01 C009 107.0(3) . . ?
C00V Sn01 C00G 106.3(3) . . ?
N004 P002 N003 93.1(3) . . ?
C00V P002 N003 142.1(3) . . ?
C00V P002 N004 124.4(3) . . ?
C007 N003 P002 124.6(5) . . ?
C007 N003 C00H 117.5(5) . . ?
C00H N003 P002 113.7(4) . . ?
C00N N004 P002 114.9(4) . . ?
C00R N004 P002 122.9(7) . . ?
C00R N004 C00N 121.3(7) . . ?
C007 C005 C00J 123.4(5) . . ?
C00D C005 C007 117.5(5) . . ?
C00D C005 C00J 119.1(6) . . ?
C00C C006 Sn01 119.6(4) . . ?
C00I C006 Sn01 122.2(5) . . ?
C00I C006 C00C 118.2(6) . . ?
C005 C007 N003 119.2(5) . . ?
C008 C007 N003 118.6(5) . . ?
C008 C007 C005 122.2(5) . . ?
C007 C008 C00F 121.0(5) . . ?
C00A C008 C007 117.8(6) . . ?
C00A C008 C00F 121.1(5) . . ?
C00O C009 Sn01 120.3(5) . . ?
C00Z C009 Sn01 120.8(6) . . ?
C00Z C009 C00O 118.9(7) . . ?
C008 C00A H00A 119.7 . . ?
C00E C00A C008 120.6(6) . . ?
C00E C00A H00A 119.7 . . ?
C00C C00B H00B 119.9 . . ?
C00M C00B H00B 119.9 . . ?
C00M C00B C00C 120.2(6) . . ?
C006 C00C H00C 119.5 . . ?
C00B C00C C006 121.0(6) . . ?
C00B C00C H00C 119.5 . . ?
C005 C00D H00D 119.6 . . ?
C00E C00D C005 120.8(6) . . ?
C00E C00D H00D 119.6 . . ?
C00A C00E C00D 121.0(6) . . ?
C00A C00E H00E 119.5 . . ?
C00D C00E H00E 119.5 . . ?
C008 C00F H00F 107.0 . . ?
C008 C00F C00S 110.1(6) . . ?
C008 C00F C00U 113.9(6) . . ?
C00S C00F H00F 107.0 . . ?
C00U C00F H00F 107.0 . . ?
C00U C00F C00S 111.5(6) . . ?
C00L C00G Sn01 118.2(6) . . ?
C00P C00G Sn01 123.1(5) . . ?
C00P C00G C00L 118.5(7) . . ?
N003 C00H H00G 110.6 . . ?
N003 C00H H00H 110.6 . . ?
N003 C00H C00N 105.6(6) . . ?
H00G C00H H00H 108.8 . . ?
C00N C00H H00G 110.6 . . ?
C00N C00H H00H 110.6 . . ?
C006 C00I H00I 119.7 . . ?
C006 C00I C00K 120.6(6) . . ?
C00K C00I H00I 119.7 . . ?
C005 C00J H00J 107.6 . . ?
C005 C00J C011 110.7(6) . . ?
C005 C00J C013 111.9(6) . . ?
C011 C00J H00J 107.6 . . ?
C011 C00J C013 111.3(6) . . ?
C013 C00J H00J 107.6 . . ?
C00I C00K H00K 119.8 . . ?
C00M C00K C00I 120.3(6) . . ?
C00M C00K H00K 119.8 . . ?
C00G C00L H00L 119.5 . . ?
C00G C00L C00Y 120.9(8) . . ?
C00Y C00L H00L 119.5 . . ?
C00B C00M C00K 119.7(6) . . ?
C00B C00M H00M 120.2 . . ?
C00K C00M H00M 120.2 . . ?
N004 C00N C00H 104.4(6) . . ?
N004 C00N H00N 110.9 . . ?
N004 C00N H00O 110.9 . . ?
C00H C00N H00N 110.9 . . ?
C00H C00N H00O 110.9 . . ?
H00N C00N H00O 108.9 . . ?
C009 C00O H00P 119.8 . . ?
C009 C00O C010 120.4(8) . . ?
C010 C00O H00P 119.8 . . ?
C00G C00P H00Q 119.6 . . ?
C00G C00P C00Q 120.7(7) . . ?
C00Q C00P H00Q 119.6 . . ?
C00P C00Q H00R 120.2 . . ?
C00W C00Q C00P 119.6(8) . . ?
C00W C00Q H00R 120.2 . . ?
C012 C00R N004 117.6(7) . . ?
C015 C00R N004 119.7(8) . . ?
C015 C00R C012 122.7(7) . . ?
C00F C00S H00S 109.5 . . ?
C00F C00S H00T 109.5 . . ?
C00F C00S H00U 109.5 . . ?
H00S C00S H00T 109.5 . . ?
H00S C00S H00U 109.5 . . ?
H00T C00S H00U 109.5 . . ?
C010 C00T H00V 120.1 . . ?
C014 C00T H00V 120.1 . . ?
C014 C00T C010 119.8(8) . . ?
C00F C00U H00W 109.5 . . ?
C00F C00U H00X 109.5 . . ?
C00F C00U H00Y 109.5 . . ?
H00W C00U H00X 109.5 . . ?
H00W C00U H00Y 109.5 . . ?
H00X C00U H00Y 109.5 . . ?
P002 C00V Sn01 140.6(4) . . ?
C00Q C00W H00Z 119.7 . . ?
C00Y C00W C00Q 120.6(7) . . ?
C00Y C00W H00Z 119.7 . . ?
C012 C00X H00 107.4 . . ?
C01C C00X H00 107.4 . . ?
C01C C00X C012 111.8(11) . . ?
C01D C00X H00 107.4 . . ?
C01D C00X C012 113.8(10) . . ?
C01D C00X C01C 108.7(12) . . ?
C00L C00Y H1 120.2 . . ?
C00W C00Y C00L 119.6(8) . . ?
C00W C00Y H1 120.2 . . ?
C009 C00Z H2 119.4 . . ?
C009 C00Z C014 121.2(9) . . ?
C014 C00Z H2 119.4 . . ?
C00O C010 H010 120.1 . . ?
C00T C010 C00O 119.8(9) . . ?
C00T C010 H010 120.1 . . ?
C00J C011 H01A 109.5 . . ?
C00J C011 H01B 109.5 . . ?
C00J C011 H01C 109.5 . . ?
H01A C011 H01B 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
C00R C012 C00X 121.6(8) . . ?
C00R C012 C018 116.4(8) . . ?
C018 C012 C00X 122.0(9) . . ?
C00J C013 H01D 109.5 . . ?
C00J C013 H01E 109.5 . . ?
C00J C013 H01F 109.5 . . ?
H01D C013 H01E 109.5 . . ?
H01D C013 H01F 109.5 . . ?
H01E C013 H01F 109.5 . . ?
C00T C014 C00Z 119.9(8) . . ?
C00T C014 H014 120.1 . . ?
C00Z C014 H014 120.1 . . ?
C00R C015 C016 117.8(9) . . ?
C00R C015 C017 122.9(7) . . ?
C016 C015 C017 119.2(8) . . ?
C015 C016 H016 119.4 . . ?
C019 C016 C015 121.3(9) . . ?
C019 C016 H016 119.4 . . ?
C015 C017 H017 106.8 . . ?
C015 C017 C01A 112.7(11) . . ?
C015 C017 C01B 111.1(9) . . ?
C01A C017 H017 106.8 . . ?
C01A C017 C01B 112.2(9) . . ?
C01B C017 H017 106.8 . . ?
C012 C018 H018 119.1 . . ?
C019 C018 C012 121.9(9) . . ?
C019 C018 H018 119.1 . . ?
C016 C019 H019 120.1 . . ?
C018 C019 C016 119.8(8) . . ?
C018 C019 H019 120.1 . . ?
C017 C01A H01G 109.5 . . ?
C017 C01A H01H 109.5 . . ?
C017 C01A H01I 109.5 . . ?
H01G C01A H01H 109.5 . . ?
H01G C01A H01I 109.5 . . ?
H01H C01A H01I 109.5 . . ?
C017 C01B H01J 109.5 . . ?
C017 C01B H01K 109.5 . . ?
C017 C01B H01L 109.5 . . ?
H01J C01B H01K 109.5 . . ?
H01J C01B H01L 109.5 . . ?
H01K C01B H01L 109.5 . . ?
C00X C01C H01M 109.5 . . ?
C00X C01C H01N 109.5 . . ?
C00X C01C H01O 109.5 . . ?
H01M C01C H01N 109.5 . . ?
H01M C01C H01O 109.5 . . ?
H01N C01C H01O 109.5 . . ?
C00X C01D H01P 109.5 . . ?
C00X C01D H01Q 109.5 . . ?
C00X C01D H01R 109.5 . . ?
H01P C01D H01Q 109.5 . . ?
H01P C01D H01R 109.5 . . ?
H01Q C01D H01R 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
Sn01 C006 C00C C00B -179.5(5) . . . . ?
Sn01 C006 C00I C00K 179.6(6) . . . . ?
Sn01 C009 C00O C010 -178.2(6) . . . . ?
Sn01 C009 C00Z C014 179.8(8) . . . . ?
Sn01 C00G C00L C00Y -174.5(6) . . . . ?
Sn01 C00G C00P C00Q 174.6(6) . . . . ?
P002 N003 C007 C005 -77.7(7) . . . . ?
P002 N003 C007 C008 104.5(7) . . . . ?
P002 N003 C00H C00N -23.8(7) . . . . ?
P002 N004 C00N C00H -25.8(7) . . . . ?
P002 N004 C00R C012 100.0(11) . . . . ?
P002 N004 C00R C015 -81.8(14) . . . . ?
N003 P002 N004 C00N 11.3(5) . . . . ?
N003 P002 N004 C00R -179.1(6) . . . . ?
N003 P002 C00V Sn01 24.9(11) . . . . ?
N003 C007 C008 C00A 175.8(6) . . . . ?
N003 C007 C008 C00F -5.3(10) . . . . ?
N003 C00H C00N N004 29.2(7) . . . . ?
N004 P002 N003 C007 164.4(5) . . . . ?
N004 P002 N003 C00H 8.4(5) . . . . ?
N004 P002 C00V Sn01 -165.1(5) . . . . ?
N004 C00R C012 C00X -0.1(19) . . . . ?
N004 C00R C012 C018 179.5(11) . . . . ?
N004 C00R C015 C016 177.8(11) . . . . ?
N004 C00R C015 C017 2(2) . . . . ?
C005 C007 C008 C00A -1.9(10) . . . . ?
C005 C007 C008 C00F 176.9(6) . . . . ?
C005 C00D C00E C00A -1.5(11) . . . . ?
C006 C00I C00K C00M 0.4(12) . . . . ?
C007 N003 C00H C00N 178.4(6) . . . . ?
C007 C005 C00D C00E 0.4(11) . . . . ?
C007 C005 C00J C011 115.9(8) . . . . ?
C007 C005 C00J C013 -119.3(8) . . . . ?
C007 C008 C00A C00E 0.9(10) . . . . ?
C007 C008 C00F C00S -88.5(8) . . . . ?
C007 C008 C00F C00U 145.4(7) . . . . ?
C008 C00A C00E C00D 0.8(11) . . . . ?
C009 C00O C010 C00T -0.8(12) . . . . ?
C009 C00Z C014 C00T -2.5(16) . . . . ?
C00A C008 C00F C00S 90.3(8) . . . . ?
C00A C008 C00F C00U -35.7(10) . . . . ?
C00C C006 C00I C00K -0.3(11) . . . . ?
C00C C00B C00M C00K 0.5(12) . . . . ?
C00D C005 C007 N003 -176.4(6) . . . . ?
C00D C005 C007 C008 1.3(10) . . . . ?
C00D C005 C00J C011 -64.6(8) . . . . ?
C00D C005 C00J C013 60.1(10) . . . . ?
C00F C008 C00A C00E -178.0(7) . . . . ?
C00G C00L C00Y C00W -0.4(13) . . . . ?
C00G C00P C00Q C00W -0.2(13) . . . . ?
C00H N003 C007 C005 77.5(8) . . . . ?
C00H N003 C007 C008 -100.3(7) . . . . ?
C00I C006 C00C C00B 0.4(11) . . . . ?
C00I C00K C00M C00B -0.4(12) . . . . ?
C00J C005 C007 N003 3.0(10) . . . . ?
C00J C005 C007 C008 -179.3(7) . . . . ?
C00J C005 C00D C00E -179.0(7) . . . . ?
C00L C00G C00P C00Q -0.9(12) . . . . ?
C00M C00B C00C C006 -0.5(11) . . . . ?
C00N N004 C00R C012 -91.1(13) . . . . ?
C00N N004 C00R C015 87.1(12) . . . . ?
C00O C009 C00Z C014 1.4(14) . . . . ?
C00P C00G C00L C00Y 1.2(12) . . . . ?
C00P C00Q C00W C00Y 1.0(13) . . . . ?
C00Q C00W C00Y C00L -0.7(13) . . . . ?
C00R N004 C00N C00H 164.4(6) . . . . ?
C00R C012 C018 C019 1(2) . . . . ?
C00R C015 C016 C019 4(2) . . . . ?
C00R C015 C017 C01A 115.3(13) . . . . ?
C00R C015 C017 C01B -117.9(13) . . . . ?
C00V P002 N003 C007 -23.9(8) . . . . ?
C00V P002 N003 C00H -179.9(6) . . . . ?
C00V P002 N004 C00N -162.5(5) . . . . ?
C00V P002 N004 C00R 7.0(8) . . . . ?
C00X C012 C018 C019 -179.1(13) . . . . ?
C00Z C009 C00O C010 0.2(12) . . . . ?
C010 C00T C014 C00Z 1.8(15) . . . . ?
C012 C00R C015 C016 -4(2) . . . . ?
C012 C00R C015 C017 -180.0(13) . . . . ?
C012 C018 C019 C016 -1(2) . . . . ?
C014 C00T C010 C00O -0.2(13) . . . . ?
C015 C00R C012 C00X -178.3(13) . . . . ?
C015 C00R C012 C018 1(2) . . . . ?
C015 C016 C019 C018 -2(2) . . . . ?
C016 C015 C017 C01A -60.5(16) . . . . ?
C016 C015 C017 C01B 66.3(16) . . . . ?
C017 C015 C016 C019 -179.6(14) . . . . ?
C01C C00X C012 C00R -102.6(15) . . . . ?
C01C C00X C012 C018 77.8(15) . . . . ?
C01D C00X C012 C00R 133.8(14) . . . . ?
C01D C00X C012 C018 -46(2) . . . . ?

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2189531'
loop_
_audit_author_name
_audit_author_address
'Rui Wei'
;southern university of science and thehnology
China
;
_audit_update_record             
;
2022-07-12 deposited with the CCDC.	2024-08-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-28
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C45 H53 N4 P Sn'
_chemical_formula_sum            'C45 H53 N4 P Sn'
_chemical_formula_weight         799.57
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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                   9.9707(5)
_cell_length_b                   10.4091(5)
_cell_length_c                   20.4298(11)
_cell_angle_alpha                89.295(3)
_cell_angle_beta                 76.839(3)
_cell_angle_gamma                77.221(3)
_cell_volume                     2011.88(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9784
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      68.25
_cell_measurement_theta_min      2.22
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.691
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.5557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1164 before and 0.0774 after correction.
The Ratio of minimum to maximum transmission is 0.7379.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.320
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_unetI/netI     0.0456
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28065
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.439
_diffrn_reflns_theta_min         2.223
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.11
_diffrn_source_power             0.0555
_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                6777
_reflns_number_total             7217
_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  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.232
_refine_diff_density_min         -0.643
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         7217
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0303
_refine_ls_restrained_S_all      1.023
_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)+2.9061P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0707
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00B(H00c), C00L(H00L), C00M(H00M), C00S(H00S)
2.b Secondary CH2 refined with riding coordinates:
 C008(H00a,H00b), C00C(H00d,H00e)
2.c Aromatic/amide H refined with riding coordinates:
 C00I(H00I), C00N(H00N), C00O(H00O), C00P(H00P), C00Q(H00Q), C00R(H00R),
 C00T(H00T), C00U(H00U), C00W(H00W), C00Y(H00Y), C00Z(H00Z), C010(H010),
 C011(H011), C013(H013), C015(H015), C01A(H01s), C01B(H01t), C01C(H01u),
 C01D(H01v), C01E(H01w), C01F(H01x)
2.d Idealised Me refined as rotating group:
 C00V(H00f,H00g,H00h), C00X(H00j,H00k,H00v), C012(H01a,H01b,H01c), C014(H01d,
 H01e,H01f), C016(H01g,H01h,H01i), C017(H01j,H01k,H01l), C018(H01m,H01n,H01o),
 C019(H01p,H01q,H01r)
;
_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
Sn01 Sn 0.32411(2) 0.59203(2) 0.77237(2) 0.01696(6) Uani 1 1 d . . . . .
P002 P 0.63788(6) 0.68879(6) 0.72998(3) 0.01532(14) Uani 1 1 d . . . . .
N003 N 0.7656(2) 0.67278(19) 0.77440(10) 0.0138(4) Uani 1 1 d . . . . .
N004 N 0.7654(2) 0.6409(2) 0.65771(10) 0.0141(4) Uani 1 1 d . . . . .
N005 N 0.6191(2) 0.4288(2) 0.73770(11) 0.0209(5) Uani 1 1 d . . . . .
C006 C 0.5487(3) 0.5521(3) 0.74583(13) 0.0191(5) Uani 1 1 d . . . . .
C007 C 0.2553(3) 0.7263(3) 0.70002(13) 0.0196(5) Uani 1 1 d . . . . .
C008 C 0.9028(3) 0.5934(3) 0.73898(13) 0.0197(5) Uani 1 1 d . . . . .
H00A H 0.907916 0.498351 0.746198 0.024 Uiso 1 1 calc R U . . .
H00B H 0.980719 0.619011 0.754413 0.024 Uiso 1 1 calc R U . . .
C009 C 0.7357(2) 0.6714(2) 0.59285(12) 0.0132(5) Uani 1 1 d . . . . .
C00A C 0.7324(2) 0.7057(2) 0.84509(12) 0.0148(5) Uani 1 1 d . . . . .
C00B C 0.7407(3) 0.4646(3) 0.87301(14) 0.0201(6) Uani 1 1 d . . . . .
H00C H 0.747712 0.458599 0.823487 0.024 Uiso 1 1 calc R U . . .
C00C C 0.9104(3) 0.6236(3) 0.66518(13) 0.0195(5) Uani 1 1 d . . . . .
H00D H 0.945323 0.704966 0.653993 0.023 Uiso 1 1 calc R U . . .
H00E H 0.973881 0.549845 0.635493 0.023 Uiso 1 1 calc R U . . .
C00D C 0.7035(3) 0.8034(2) 0.57363(13) 0.0161(5) Uani 1 1 d . . . . .
N00E N 0.6844(3) 0.3230(2) 0.72990(13) 0.0301(6) Uani 1 1 d . . . . .
C00F C 0.7189(3) 0.6088(3) 0.89300(13) 0.0182(5) Uani 1 1 d . . . . .
C00G C 0.2662(3) 0.4065(3) 0.77502(14) 0.0209(6) Uani 1 1 d . . . . .
C00H C 0.7388(3) 0.5671(2) 0.54899(13) 0.0167(5) Uani 1 1 d . . . . .
C00I C 0.3353(3) 0.7272(3) 0.63456(14) 0.0230(6) Uani 1 1 d . . . . .
H00I H 0.418327 0.660131 0.619117 0.028 Uiso 1 1 calc R U . . .
C00J C 0.7106(3) 0.8390(3) 0.86615(13) 0.0177(5) Uani 1 1 d . . . . .
C00K C 0.2447(3) 0.6966(3) 0.86767(13) 0.0205(6) Uani 1 1 d . . . . .
C00L C 0.7263(3) 0.9485(3) 0.81699(14) 0.0210(6) Uani 1 1 d . . . . .
H00L H 0.774015 0.906964 0.771332 0.025 Uiso 1 1 calc R U . . .
C00M C 0.7013(3) 0.9198(2) 0.61821(13) 0.0182(5) Uani 1 1 d . . . . .
H00M H 0.725974 0.884527 0.660755 0.022 Uiso 1 1 calc R U . . .
C00N C 0.7092(3) 0.5961(3) 0.48631(13) 0.0204(6) Uani 1 1 d . . . . .
H00N H 0.711946 0.526362 0.456121 0.024 Uiso 1 1 calc R U . . .
C00O C 0.6705(3) 0.8717(3) 0.93467(14) 0.0243(6) Uani 1 1 d . . . . .
H00O H 0.651480 0.961607 0.949226 0.029 Uiso 1 1 calc R U . . .
C00P C 0.1334(3) 0.8251(3) 0.72102(14) 0.0240(6) Uani 1 1 d . . . . .
H00P H 0.077751 0.826172 0.765520 0.029 Uiso 1 1 calc R U . . .
C00Q C 0.6737(3) 0.8268(3) 0.51044(13) 0.0191(5) Uani 1 1 d . . . . .
H00Q H 0.651475 0.915026 0.496788 0.023 Uiso 1 1 calc R U . . .
C00R C 0.2684(3) 0.3315(3) 0.83217(16) 0.0280(6) Uani 1 1 d . . . . .
H00R H 0.292036 0.365517 0.869914 0.034 Uiso 1 1 calc R U . . .
C00S C 0.7688(3) 0.4243(2) 0.56869(13) 0.0182(5) Uani 1 1 d . . . . .
H00S H 0.792715 0.421856 0.613713 0.022 Uiso 1 1 calc R U . . .
C00T C 0.2300(3) 0.3549(3) 0.72091(15) 0.0284(6) Uani 1 1 d . . . . .
H00T H 0.227015 0.404481 0.681711 0.034 Uiso 1 1 calc R U . . .
C00U C 0.2945(3) 0.8254(3) 0.59163(14) 0.0243(6) Uani 1 1 d . . . . .
H00U H 0.350481 0.825749 0.547284 0.029 Uiso 1 1 calc R U . . .
C00V C 0.5539(3) 1.0111(3) 0.63684(15) 0.0253(6) Uani 1 1 d . . . . .
H00F H 0.555296 1.084561 0.666022 0.038 Uiso 1 1 calc R U . . .
H00G H 0.485812 0.961602 0.660601 0.038 Uiso 1 1 calc R U . . .
H00H H 0.526313 1.045479 0.595820 0.038 Uiso 1 1 calc R U . . .
C00W C 0.6845(3) 0.6463(3) 0.96126(14) 0.0250(6) Uani 1 1 d . . . . .
H00W H 0.679639 0.580630 0.993876 0.030 Uiso 1 1 calc R U . . .
C00X C 0.6152(3) 0.4070(3) 0.90837(15) 0.0279(6) Uani 1 1 d . . . . .
H00J H 0.613752 0.400087 0.956399 0.042 Uiso 1 1 calc R U . . .
H00K H 0.624764 0.319262 0.888527 0.042 Uiso 1 1 calc R U . . .
H00V H 0.526907 0.464866 0.902758 0.042 Uiso 1 1 calc R U . . .
C00Y C 0.1730(3) 0.9226(3) 0.61320(14) 0.0254(6) Uani 1 1 d . . . . .
H00Y H 0.145074 0.989345 0.583756 0.030 Uiso 1 1 calc R U . . .
C00Z C 0.6757(3) 0.7256(3) 0.46752(13) 0.0210(6) Uani 1 1 d . . . . .
H00Z H 0.654162 0.744241 0.424958 0.025 Uiso 1 1 calc R U . . .
C010 C 0.6577(3) 0.7767(3) 0.98224(14) 0.0282(6) Uani 1 1 d . . . . .
H010 H 0.630587 0.801129 1.028842 0.034 Uiso 1 1 calc R U . . .
C011 C 0.1049(3) 0.7091(3) 0.90241(15) 0.0300(7) Uani 1 1 d . . . . .
H011 H 0.046163 0.662752 0.886179 0.036 Uiso 1 1 calc R U . . .
C012 C 0.8800(3) 0.3852(3) 0.88630(16) 0.0302(7) Uani 1 1 d . . . . .
H01A H 0.958676 0.419962 0.860281 0.045 Uiso 1 1 calc R U . . .
H01B H 0.892712 0.292442 0.872780 0.045 Uiso 1 1 calc R U . . .
H01C H 0.877703 0.392224 0.934351 0.045 Uiso 1 1 calc R U . . .
C013 C 0.0922(3) 0.9220(3) 0.67793(15) 0.0280(6) Uani 1 1 d . . . . .
H013 H 0.008257 0.988219 0.692872 0.034 Uiso 1 1 calc R U . . .
C014 C 0.8943(3) 0.3388(3) 0.51897(15) 0.0235(6) Uani 1 1 d . . . . .
H01D H 0.870535 0.333933 0.475214 0.035 Uiso 1 1 calc R U . . .
H01E H 0.915874 0.249858 0.535904 0.035 Uiso 1 1 calc R U . . .
H01F H 0.976846 0.377707 0.513928 0.035 Uiso 1 1 calc R U . . .
C015 C 0.3278(3) 0.7652(3) 0.89310(15) 0.0300(7) Uani 1 1 d . . . . .
H015 H 0.423676 0.757592 0.870223 0.036 Uiso 1 1 calc R U . . .
C016 C 0.8124(3) 0.9953(3) 0.58456(15) 0.0248(6) Uani 1 1 d . . . . .
H01G H 0.785911 1.037749 0.544843 0.037 Uiso 1 1 calc R U . . .
H01H H 0.904692 0.933937 0.570918 0.037 Uiso 1 1 calc R U . . .
H01I H 0.817690 1.062690 0.616392 0.037 Uiso 1 1 calc R U . . .
C017 C 0.6353(3) 0.3695(3) 0.57559(15) 0.0234(6) Uani 1 1 d . . . . .
H01J H 0.557484 0.423840 0.608905 0.035 Uiso 1 1 calc R U . . .
H01K H 0.653908 0.278547 0.590232 0.035 Uiso 1 1 calc R U . . .
H01L H 0.609514 0.371120 0.532031 0.035 Uiso 1 1 calc R U . . .
C018 C 0.8168(3) 1.0370(3) 0.83567(16) 0.0280(6) Uani 1 1 d . . . . .
H01M H 0.766673 1.086540 0.877880 0.042 Uiso 1 1 calc R U . . .
H01N H 0.835015 1.098615 0.799827 0.042 Uiso 1 1 calc R U . . .
H01O H 0.906820 0.982388 0.841277 0.042 Uiso 1 1 calc R U . . .
C019 C 0.5808(3) 1.0318(3) 0.81351(16) 0.0296(7) Uani 1 1 d . . . . .
H01P H 0.526074 0.975786 0.798058 0.044 Uiso 1 1 calc R U . . .
H01Q H 0.592647 1.102352 0.781979 0.044 Uiso 1 1 calc R U . . .
H01R H 0.530542 1.070494 0.858266 0.044 Uiso 1 1 calc R U . . .
C01A C 0.2365(3) 0.2082(3) 0.83460(18) 0.0340(7) Uani 1 1 d . . . . .
H01S H 0.237982 0.158519 0.873850 0.041 Uiso 1 1 calc R U . . .
C01B C 0.0505(3) 0.7887(4) 0.96058(15) 0.0370(8) Uani 1 1 d . . . . .
H01T H -0.045223 0.796576 0.983806 0.044 Uiso 1 1 calc R U . . .
C01C C 0.2028(3) 0.1580(3) 0.78005(17) 0.0344(7) Uani 1 1 d . . . . .
H01U H 0.182709 0.072841 0.781312 0.041 Uiso 1 1 calc R U . . .
C01D C 0.1344(3) 0.8567(3) 0.98500(16) 0.0361(8) Uani 1 1 d . . . . .
H01V H 0.096835 0.911414 1.024742 0.043 Uiso 1 1 calc R U . . .
C01E C 0.1981(4) 0.2310(3) 0.72353(17) 0.0377(8) Uani 1 1 d . . . . .
H01W H 0.172991 0.196739 0.686273 0.045 Uiso 1 1 calc R U . . .
C01F C 0.2733(4) 0.8441(3) 0.95105(17) 0.0371(8) Uani 1 1 d . . . . .
H01X H 0.331838 0.890125 0.967632 0.044 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
Sn01 C006 2.126(3) . ?
Sn01 C007 2.144(3) . ?
Sn01 C00G 2.132(3) . ?
Sn01 C00K 2.138(3) . ?
P002 N003 1.704(2) . ?
P002 N004 1.711(2) . ?
P002 C006 1.827(3) . ?
N003 C008 1.463(3) . ?
N003 C00A 1.434(3) . ?
N004 C009 1.439(3) . ?
N004 C00C 1.459(3) . ?
N005 C006 1.313(3) . ?
N005 N00E 1.141(3) . ?
C007 C00I 1.394(4) . ?
C007 C00P 1.393(4) . ?
C008 H00A 0.9900 . ?
C008 H00B 0.9900 . ?
C008 C00C 1.525(4) . ?
C009 C00D 1.412(3) . ?
C009 C00H 1.406(4) . ?
C00A C00F 1.404(3) . ?
C00A C00J 1.413(4) . ?
C00B H00C 1.0000 . ?
C00B C00F 1.515(4) . ?
C00B C00X 1.536(4) . ?
C00B C012 1.531(4) . ?
C00C H00D 0.9900 . ?
C00C H00E 0.9900 . ?
C00D C00M 1.518(4) . ?
C00D C00Q 1.396(4) . ?
C00F C00W 1.397(4) . ?
C00G C00R 1.398(4) . ?
C00G C00T 1.386(4) . ?
C00H C00N 1.393(4) . ?
C00H C00S 1.518(3) . ?
C00I H00I 0.9500 . ?
C00I C00U 1.392(4) . ?
C00J C00L 1.520(4) . ?
C00J C00O 1.390(4) . ?
C00K C011 1.391(4) . ?
C00K C015 1.391(4) . ?
C00L H00L 1.0000 . ?
C00L C018 1.530(4) . ?
C00L C019 1.533(4) . ?
C00M H00M 1.0000 . ?
C00M C00V 1.531(4) . ?
C00M C016 1.531(4) . ?
C00N H00N 0.9500 . ?
C00N C00Z 1.386(4) . ?
C00O H00O 0.9500 . ?
C00O C010 1.383(4) . ?
C00P H00P 0.9500 . ?
C00P C013 1.386(4) . ?
C00Q H00Q 0.9500 . ?
C00Q C00Z 1.373(4) . ?
C00R H00R 0.9500 . ?
C00R C01A 1.386(4) . ?
C00S H00S 1.0000 . ?
C00S C014 1.530(4) . ?
C00S C017 1.538(3) . ?
C00T H00T 0.9500 . ?
C00T C01E 1.392(4) . ?
C00U H00U 0.9500 . ?
C00U C00Y 1.382(4) . ?
C00V H00F 0.9800 . ?
C00V H00G 0.9800 . ?
C00V H00H 0.9800 . ?
C00W H00W 0.9500 . ?
C00W C010 1.378(4) . ?
C00X H00J 0.9800 . ?
C00X H00K 0.9800 . ?
C00X H00V 0.9800 . ?
C00Y H00Y 0.9500 . ?
C00Y C013 1.384(4) . ?
C00Z H00Z 0.9500 . ?
C010 H010 0.9500 . ?
C011 H011 0.9500 . ?
C011 C01B 1.387(4) . ?
C012 H01A 0.9800 . ?
C012 H01B 0.9800 . ?
C012 H01C 0.9800 . ?
C013 H013 0.9500 . ?
C014 H01D 0.9800 . ?
C014 H01E 0.9800 . ?
C014 H01F 0.9800 . ?
C015 H015 0.9500 . ?
C015 C01F 1.380(4) . ?
C016 H01G 0.9800 . ?
C016 H01H 0.9800 . ?
C016 H01I 0.9800 . ?
C017 H01J 0.9800 . ?
C017 H01K 0.9800 . ?
C017 H01L 0.9800 . ?
C018 H01M 0.9800 . ?
C018 H01N 0.9800 . ?
C018 H01O 0.9800 . ?
C019 H01P 0.9800 . ?
C019 H01Q 0.9800 . ?
C019 H01R 0.9800 . ?
C01A H01S 0.9500 . ?
C01A C01C 1.375(5) . ?
C01B H01T 0.9500 . ?
C01B C01D 1.382(5) . ?
C01C H01U 0.9500 . ?
C01C C01E 1.378(5) . ?
C01D H01V 0.9500 . ?
C01D C01F 1.378(5) . ?
C01E H01W 0.9500 . ?
C01F H01X 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C006 Sn01 C007 105.67(10) . . ?
C006 Sn01 C00G 106.83(10) . . ?
C006 Sn01 C00K 110.56(10) . . ?
C00G Sn01 C007 116.61(10) . . ?
C00G Sn01 C00K 111.24(10) . . ?
C00K Sn01 C007 105.78(10) . . ?
N003 P002 N004 89.86(10) . . ?
N003 P002 C006 110.24(11) . . ?
N004 P002 C006 104.55(11) . . ?
C008 N003 P002 113.76(16) . . ?
C00A N003 P002 121.91(16) . . ?
C00A N003 C008 122.60(19) . . ?
C009 N004 P002 120.86(16) . . ?
C009 N004 C00C 118.94(19) . . ?
C00C N004 P002 114.93(16) . . ?
N00E N005 C006 177.7(3) . . ?
P002 C006 Sn01 119.56(13) . . ?
N005 C006 Sn01 118.54(18) . . ?
N005 C006 P002 121.78(19) . . ?
C00I C007 Sn01 122.5(2) . . ?
C00P C007 Sn01 118.76(19) . . ?
C00P C007 C00I 118.4(2) . . ?
N003 C008 H00A 110.9 . . ?
N003 C008 H00B 110.9 . . ?
N003 C008 C00C 104.18(19) . . ?
H00A C008 H00B 108.9 . . ?
C00C C008 H00A 110.9 . . ?
C00C C008 H00B 110.9 . . ?
C00D C009 N004 120.7(2) . . ?
C00H C009 N004 118.7(2) . . ?
C00H C009 C00D 120.6(2) . . ?
C00F C00A N003 121.2(2) . . ?
C00F C00A C00J 120.0(2) . . ?
C00J C00A N003 118.7(2) . . ?
C00F C00B H00C 107.6 . . ?
C00F C00B C00X 111.7(2) . . ?
C00F C00B C012 110.6(2) . . ?
C00X C00B H00C 107.6 . . ?
C012 C00B H00C 107.6 . . ?
C012 C00B C00X 111.4(2) . . ?
N004 C00C C008 104.8(2) . . ?
N004 C00C H00D 110.8 . . ?
N004 C00C H00E 110.8 . . ?
C008 C00C H00D 110.8 . . ?
C008 C00C H00E 110.8 . . ?
H00D C00C H00E 108.9 . . ?
C009 C00D C00M 123.0(2) . . ?
C00Q C00D C009 118.0(2) . . ?
C00Q C00D C00M 119.0(2) . . ?
C00A C00F C00B 122.1(2) . . ?
C00W C00F C00A 119.0(2) . . ?
C00W C00F C00B 119.0(2) . . ?
C00R C00G Sn01 119.5(2) . . ?
C00T C00G Sn01 122.2(2) . . ?
C00T C00G C00R 118.3(3) . . ?
C009 C00H C00S 122.0(2) . . ?
C00N C00H C009 119.0(2) . . ?
C00N C00H C00S 119.0(2) . . ?
C007 C00I H00I 119.7 . . ?
C00U C00I C007 120.5(3) . . ?
C00U C00I H00I 119.7 . . ?
C00A C00J C00L 122.7(2) . . ?
C00O C00J C00A 118.6(2) . . ?
C00O C00J C00L 118.7(2) . . ?
C011 C00K Sn01 121.1(2) . . ?
C015 C00K Sn01 120.4(2) . . ?
C015 C00K C011 118.2(3) . . ?
C00J C00L H00L 108.2 . . ?
C00J C00L C018 111.9(2) . . ?
C00J C00L C019 110.4(2) . . ?
C018 C00L H00L 108.2 . . ?
C018 C00L C019 109.9(2) . . ?
C019 C00L H00L 108.2 . . ?
C00D C00M H00M 107.8 . . ?
C00D C00M C00V 111.2(2) . . ?
C00D C00M C016 110.9(2) . . ?
C00V C00M H00M 107.8 . . ?
C016 C00M H00M 107.8 . . ?
C016 C00M C00V 111.1(2) . . ?
C00H C00N H00N 119.6 . . ?
C00Z C00N C00H 120.7(2) . . ?
C00Z C00N H00N 119.6 . . ?
C00J C00O H00O 119.1 . . ?
C010 C00O C00J 121.7(3) . . ?
C010 C00O H00O 119.1 . . ?
C007 C00P H00P 119.5 . . ?
C013 C00P C007 120.9(3) . . ?
C013 C00P H00P 119.5 . . ?
C00D C00Q H00Q 119.1 . . ?
C00Z C00Q C00D 121.7(2) . . ?
C00Z C00Q H00Q 119.1 . . ?
C00G C00R H00R 119.5 . . ?
C01A C00R C00G 121.0(3) . . ?
C01A C00R H00R 119.5 . . ?
C00H C00S H00S 107.9 . . ?
C00H C00S C014 112.2(2) . . ?
C00H C00S C017 109.7(2) . . ?
C014 C00S H00S 107.9 . . ?
C014 C00S C017 111.0(2) . . ?
C017 C00S H00S 107.9 . . ?
C00G C00T H00T 119.7 . . ?
C00G C00T C01E 120.5(3) . . ?
C01E C00T H00T 119.7 . . ?
C00I C00U H00U 119.8 . . ?
C00Y C00U C00I 120.3(3) . . ?
C00Y C00U H00U 119.8 . . ?
C00M C00V H00F 109.5 . . ?
C00M C00V H00G 109.5 . . ?
C00M C00V H00H 109.5 . . ?
H00F C00V H00G 109.5 . . ?
H00F C00V H00H 109.5 . . ?
H00G C00V H00H 109.5 . . ?
C00F C00W H00W 119.3 . . ?
C010 C00W C00F 121.3(2) . . ?
C010 C00W H00W 119.3 . . ?
C00B C00X H00J 109.5 . . ?
C00B C00X H00K 109.5 . . ?
C00B C00X H00V 109.5 . . ?
H00J C00X H00K 109.5 . . ?
H00J C00X H00V 109.5 . . ?
H00K C00X H00V 109.5 . . ?
C00U C00Y H00Y 120.2 . . ?
C00U C00Y C013 119.6(3) . . ?
C013 C00Y H00Y 120.2 . . ?
C00N C00Z H00Z 120.0 . . ?
C00Q C00Z C00N 120.0(2) . . ?
C00Q C00Z H00Z 120.0 . . ?
C00O C010 H010 120.4 . . ?
C00W C010 C00O 119.3(3) . . ?
C00W C010 H010 120.4 . . ?
C00K C011 H011 119.7 . . ?
C01B C011 C00K 120.5(3) . . ?
C01B C011 H011 119.7 . . ?
C00B C012 H01A 109.5 . . ?
C00B C012 H01B 109.5 . . ?
C00B C012 H01C 109.5 . . ?
H01A C012 H01B 109.5 . . ?
H01A C012 H01C 109.5 . . ?
H01B C012 H01C 109.5 . . ?
C00P C013 H013 119.9 . . ?
C00Y C013 C00P 120.2(3) . . ?
C00Y C013 H013 119.9 . . ?
C00S C014 H01D 109.5 . . ?
C00S C014 H01E 109.5 . . ?
C00S C014 H01F 109.5 . . ?
H01D C014 H01E 109.5 . . ?
H01D C014 H01F 109.5 . . ?
H01E C014 H01F 109.5 . . ?
C00K C015 H015 119.5 . . ?
C01F C015 C00K 121.1(3) . . ?
C01F C015 H015 119.5 . . ?
C00M C016 H01G 109.5 . . ?
C00M C016 H01H 109.5 . . ?
C00M C016 H01I 109.5 . . ?
H01G C016 H01H 109.5 . . ?
H01G C016 H01I 109.5 . . ?
H01H C016 H01I 109.5 . . ?
C00S C017 H01J 109.5 . . ?
C00S C017 H01K 109.5 . . ?
C00S C017 H01L 109.5 . . ?
H01J C017 H01K 109.5 . . ?
H01J C017 H01L 109.5 . . ?
H01K C017 H01L 109.5 . . ?
C00L C018 H01M 109.5 . . ?
C00L C018 H01N 109.5 . . ?
C00L C018 H01O 109.5 . . ?
H01M C018 H01N 109.5 . . ?
H01M C018 H01O 109.5 . . ?
H01N C018 H01O 109.5 . . ?
C00L C019 H01P 109.5 . . ?
C00L C019 H01Q 109.5 . . ?
C00L C019 H01R 109.5 . . ?
H01P C019 H01Q 109.5 . . ?
H01P C019 H01R 109.5 . . ?
H01Q C019 H01R 109.5 . . ?
C00R C01A H01S 120.1 . . ?
C01C C01A C00R 119.8(3) . . ?
C01C C01A H01S 120.1 . . ?
C011 C01B H01T 119.7 . . ?
C01D C01B C011 120.5(3) . . ?
C01D C01B H01T 119.7 . . ?
C01A C01C H01U 119.9 . . ?
C01A C01C C01E 120.1(3) . . ?
C01E C01C H01U 119.9 . . ?
C01B C01D H01V 120.4 . . ?
C01F C01D C01B 119.3(3) . . ?
C01F C01D H01V 120.4 . . ?
C00T C01E H01W 119.9 . . ?
C01C C01E C00T 120.2(3) . . ?
C01C C01E H01W 119.9 . . ?
C015 C01F H01X 119.8 . . ?
C01D C01F C015 120.4(3) . . ?
C01D C01F H01X 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
Sn01 C007 C00I C00U -172.67(19) . . . . ?
Sn01 C007 C00P C013 173.7(2) . . . . ?
Sn01 C00G C00R C01A -177.5(2) . . . . ?
Sn01 C00G C00T C01E 177.5(2) . . . . ?
Sn01 C00K C011 C01B -173.1(2) . . . . ?
Sn01 C00K C015 C01F 173.3(2) . . . . ?
P002 N003 C008 C00C 34.1(2) . . . . ?
P002 N003 C00A C00F 96.4(2) . . . . ?
P002 N003 C00A C00J -82.5(2) . . . . ?
P002 N004 C009 C00D 65.0(3) . . . . ?
P002 N004 C009 C00H -114.7(2) . . . . ?
P002 N004 C00C C008 25.3(2) . . . . ?
N003 P002 N004 C009 -159.70(18) . . . . ?
N003 P002 N004 C00C -5.64(18) . . . . ?
N003 P002 C006 Sn01 130.33(14) . . . . ?
N003 P002 C006 N005 -53.5(3) . . . . ?
N003 C008 C00C N004 -35.0(3) . . . . ?
N003 C00A C00F C00B 1.0(3) . . . . ?
N003 C00A C00F C00W -179.2(2) . . . . ?
N003 C00A C00J C00L -2.4(3) . . . . ?
N003 C00A C00J C00O 176.4(2) . . . . ?
N004 P002 N003 C008 -17.64(17) . . . . ?
N004 P002 N003 C00A 176.96(19) . . . . ?
N004 P002 C006 Sn01 -134.33(14) . . . . ?
N004 P002 C006 N005 41.8(2) . . . . ?
N004 C009 C00D C00M 1.5(4) . . . . ?
N004 C009 C00D C00Q -179.1(2) . . . . ?
N004 C009 C00H C00N 179.5(2) . . . . ?
N004 C009 C00H C00S 1.5(3) . . . . ?
C006 P002 N003 C008 87.84(19) . . . . ?
C006 P002 N003 C00A -77.6(2) . . . . ?
C006 P002 N004 C009 89.39(19) . . . . ?
C006 P002 N004 C00C -116.54(18) . . . . ?
C007 C00I C00U C00Y -0.8(4) . . . . ?
C007 C00P C013 C00Y -0.7(4) . . . . ?
C008 N003 C00A C00F -67.7(3) . . . . ?
C008 N003 C00A C00J 113.4(3) . . . . ?
C009 N004 C00C C008 179.8(2) . . . . ?
C009 C00D C00M C00V -118.0(3) . . . . ?
C009 C00D C00M C016 117.9(3) . . . . ?
C009 C00D C00Q C00Z -0.3(4) . . . . ?
C009 C00H C00N C00Z -0.7(4) . . . . ?
C009 C00H C00S C014 -123.7(3) . . . . ?
C009 C00H C00S C017 112.4(3) . . . . ?
C00A N003 C008 C00C -160.7(2) . . . . ?
C00A C00F C00W C010 3.0(4) . . . . ?
C00A C00J C00L C018 -131.7(3) . . . . ?
C00A C00J C00L C019 105.5(3) . . . . ?
C00A C00J C00O C010 2.8(4) . . . . ?
C00B C00F C00W C010 -177.2(2) . . . . ?
C00C N004 C009 C00D -88.0(3) . . . . ?
C00C N004 C009 C00H 92.3(3) . . . . ?
C00D C009 C00H C00N -0.2(3) . . . . ?
C00D C009 C00H C00S -178.2(2) . . . . ?
C00D C00Q C00Z C00N -0.6(4) . . . . ?
C00F C00A C00J C00L 178.8(2) . . . . ?
C00F C00A C00J C00O -2.5(4) . . . . ?
C00F C00W C010 C00O -2.6(4) . . . . ?
C00G C00R C01A C01C 0.3(4) . . . . ?
C00G C00T C01E C01C -0.3(5) . . . . ?
C00H C009 C00D C00M -178.8(2) . . . . ?
C00H C009 C00D C00Q 0.6(3) . . . . ?
C00H C00N C00Z C00Q 1.0(4) . . . . ?
C00I C007 C00P C013 0.1(4) . . . . ?
C00I C00U C00Y C013 0.3(4) . . . . ?
C00J C00A C00F C00B 179.8(2) . . . . ?
C00J C00A C00F C00W -0.4(4) . . . . ?
C00J C00O C010 C00W -0.3(4) . . . . ?
C00K C011 C01B C01D -0.1(5) . . . . ?
C00K C015 C01F C01D -0.1(5) . . . . ?
C00L C00J C00O C010 -178.4(3) . . . . ?
C00M C00D C00Q C00Z 179.2(2) . . . . ?
C00N C00H C00S C014 58.2(3) . . . . ?
C00N C00H C00S C017 -65.7(3) . . . . ?
C00O C00J C00L C018 49.5(3) . . . . ?
C00O C00J C00L C019 -73.2(3) . . . . ?
C00P C007 C00I C00U 0.6(4) . . . . ?
C00Q C00D C00M C00V 62.6(3) . . . . ?
C00Q C00D C00M C016 -61.5(3) . . . . ?
C00R C00G C00T C01E -0.6(4) . . . . ?
C00R C01A C01C C01E -1.2(5) . . . . ?
C00S C00H C00N C00Z 177.4(2) . . . . ?
C00T C00G C00R C01A 0.6(4) . . . . ?
C00U C00Y C013 C00P 0.4(4) . . . . ?
C00X C00B C00F C00A -127.7(3) . . . . ?
C00X C00B C00F C00W 52.5(3) . . . . ?
C011 C00K C015 C01F -0.3(4) . . . . ?
C011 C01B C01D C01F -0.3(5) . . . . ?
C012 C00B C00F C00A 107.6(3) . . . . ?
C012 C00B C00F C00W -72.3(3) . . . . ?
C015 C00K C011 C01B 0.4(4) . . . . ?
C01A C01C C01E C00T 1.2(5) . . . . ?
C01B C01D C01F C015 0.3(5) . . . . ?

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

data_5
_database_code_depnum_ccdc_archive 'CCDC 2178248'
loop_
_audit_author_name
_audit_author_address
'Rui Wei'
;southern university of science and thehnology
China
;
_audit_update_record             
;
2022-06-10 deposited with the CCDC.	2024-08-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C49 H62 N3 P Si Sn'
_chemical_formula_sum            'C49 H62 N3 P Si Sn'
_chemical_formula_weight         870.76
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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                   18.0214(5)
_cell_length_b                   12.3053(4)
_cell_length_c                   20.7838(6)
_cell_angle_alpha                90
_cell_angle_beta                 93.7730(10)
_cell_angle_gamma                90
_cell_volume                     4599.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9844
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      68.171
_cell_measurement_theta_min      5.062
_shelx_estimated_absorpt_T_max   0.420
_shelx_estimated_absorpt_T_min   0.216
_exptl_absorpt_coefficient_mu    5.255
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6363
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0586 before and 0.0449 after correction.
The Ratio of minimum to maximum transmission is 0.8449.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_unetI/netI     0.0193
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            55163
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.281
_diffrn_reflns_theta_min         2.457
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_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                8010
_reflns_number_total             8416
_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         0.360
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     507
_refine_ls_number_reflns         8416
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0220
_refine_ls_restrained_S_all      1.042
_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)+(0.0203P)²+3.4112P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0510
_refine_ls_wR_factor_ref         0.0518
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Ternary CH refined with riding coordinates:
 C00H(H00H), C00J(H00J), C00O(H00O), C00T(H00T)
1.b Secondary CH2 refined with riding coordinates:
 C00A(H00A,H00B), C00F(H00C,H00E)
1.c Aromatic/amide H refined with riding coordinates:
 C00D(H00D), C00M(H00M), C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S),
 C00U(H00U), C00W(H00W), C00X(H00X), C00Y(H00Y), C010(H010), C011(H011),
 C015(H015), C016(H016), C018(H018), C019(H019), C01A(H01M), C01C(H01Q),
 C01D(H01R), C01F(H01V), C01I(H01)
1.d Idealised Me refined as rotating group:
 C00V(H00F,H00G,H00I), C00Z(H00K,H00L,H00N), C012(H01A,H01B,H01C), C013(H01D,
 H01E,H01F), C014(H01G,H01H,H01I), C017(H01J,H01K,H01L), C01B(H01N,H01O,H01P),
 C01E(H01S,H01T,H01U), C01G(H01W,H01X,H01Y), C01H(H01Z,H,HA), C01J(H1,HB,HC)
;
_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
Sn01 Sn 0.17893(2) 0.79794(2) 0.55417(2) 0.01525(4) Uani 1 1 d . . . . .
P002 P 0.31034(2) 0.60507(3) 0.58129(2) 0.01151(8) Uani 1 1 d . . . . .
Si03 Si 0.19959(3) 0.59937(5) 0.32398(2) 0.02701(12) Uani 1 1 d . . . . .
N004 N 0.39031(7) 0.59237(11) 0.54133(6) 0.0128(3) Uani 1 1 d . . . . .
N005 N 0.29956(7) 0.46693(11) 0.57953(6) 0.0133(3) Uani 1 1 d . . . . .
C006 C 0.24280(9) 0.66508(13) 0.52314(8) 0.0154(3) Uani 1 1 d . . . . .
N007 N 0.22662(9) 0.62187(13) 0.40495(7) 0.0264(3) Uani 1 1 d . . . . .
C008 C 0.24650(9) 0.40540(13) 0.67848(8) 0.0160(3) Uani 1 1 d . . . . .
C009 C 0.23408(9) 0.64145(13) 0.46081(8) 0.0168(3) Uani 1 1 d . . . . .
C00A C 0.34029(9) 0.41339(14) 0.52955(8) 0.0168(3) Uani 1 1 d . . . . .
H00A H 0.310390 0.412744 0.487849 0.020 Uiso 1 1 calc R U . . .
H00B H 0.352870 0.337613 0.541989 0.020 Uiso 1 1 calc R U . . .
C00B C 0.12082(10) 0.86991(14) 0.47167(8) 0.0204(4) Uani 1 1 d . . . . .
C00C C 0.25338(9) 0.91957(14) 0.59497(8) 0.0183(3) Uani 1 1 d . . . . .
C00D C 0.18918(10) 0.35538(14) 0.70938(9) 0.0209(4) Uani 1 1 d . . . . .
H00D H 0.193289 0.347686 0.754960 0.025 Uiso 1 1 calc R U . . .
C00E C 0.44951(8) 0.67100(13) 0.54972(8) 0.0139(3) Uani 1 1 d . . . . .
C00F C 0.41017(9) 0.48075(13) 0.52487(8) 0.0166(3) Uani 1 1 d . . . . .
H00C H 0.450424 0.453369 0.555329 0.020 Uiso 1 1 calc R U . . .
H00E H 0.427335 0.477589 0.480631 0.020 Uiso 1 1 calc R U . . .
C00G C 0.09933(9) 0.73841(14) 0.61774(8) 0.0182(3) Uani 1 1 d . . . . .
C00H C 0.48689(9) 0.59490(14) 0.66235(8) 0.0189(3) Uani 1 1 d . . . . .
H00H H 0.448451 0.539940 0.647896 0.023 Uiso 1 1 calc R U . . .
C00I C 0.23986(8) 0.41572(13) 0.61041(8) 0.0144(3) Uani 1 1 d . . . . .
C00J C 0.31647(9) 0.44290(14) 0.71729(8) 0.0169(3) Uani 1 1 d . . . . .
H00J H 0.333970 0.511059 0.696907 0.020 Uiso 1 1 calc R U . . .
C00K C 0.17556(9) 0.37774(14) 0.57516(8) 0.0175(3) Uani 1 1 d . . . . .
C00L C 0.46070(9) 0.74573(14) 0.49987(8) 0.0170(3) Uani 1 1 d . . . . .
C00M C 0.51842(10) 0.82117(15) 0.50812(9) 0.0232(4) Uani 1 1 d . . . . .
H00M H 0.525937 0.872362 0.474956 0.028 Uiso 1 1 calc R U . . .
C00N C 0.49648(9) 0.67240(14) 0.60670(8) 0.0164(3) Uani 1 1 d . . . . .
C00O C 0.41119(9) 0.74805(15) 0.43800(8) 0.0195(4) Uani 1 1 d . . . . .
H00O H 0.378514 0.682320 0.437290 0.023 Uiso 1 1 calc R U . . .
C00P C 0.56488(10) 0.82254(15) 0.56389(10) 0.0262(4) Uani 1 1 d . . . . .
H00P H 0.604248 0.873840 0.568686 0.031 Uiso 1 1 calc R U . . .
C00Q C 0.12635(10) 0.31673(15) 0.67473(9) 0.0253(4) Uani 1 1 d . . . . .
H00Q H 0.087864 0.282467 0.696386 0.030 Uiso 1 1 calc R U . . .
C00R C 0.12005(10) 0.32827(15) 0.60878(9) 0.0241(4) Uani 1 1 d . . . . .
H00R H 0.076687 0.301834 0.585404 0.029 Uiso 1 1 calc R U . . .
C00S C 0.32829(10) 0.89719(15) 0.61040(9) 0.0255(4) Uani 1 1 d . . . . .
H00S H 0.346398 0.825487 0.604990 0.031 Uiso 1 1 calc R U . . .
C00T C 0.16391(9) 0.38715(15) 0.50230(8) 0.0206(4) Uani 1 1 d . . . . .
H00T H 0.203746 0.435592 0.487121 0.025 Uiso 1 1 calc R U . . .
C00U C 0.55376(10) 0.74911(16) 0.61243(9) 0.0239(4) Uani 1 1 d . . . . .
H00U H 0.585742 0.750683 0.650631 0.029 Uiso 1 1 calc R U . . .
C00V C 0.08853(10) 0.43852(17) 0.48127(10) 0.0303(4) Uani 1 1 d . . . . .
H00F H 0.048378 0.389863 0.492623 0.045 Uiso 1 1 calc R U . . .
H00G H 0.085463 0.450129 0.434521 0.045 Uiso 1 1 calc R U . . .
H00I H 0.083654 0.508374 0.503245 0.045 Uiso 1 1 calc R U . . .
C00W C 0.22888(11) 1.02561(15) 0.60331(10) 0.0285(4) Uani 1 1 d . . . . .
H00W H 0.178156 1.043033 0.592869 0.034 Uiso 1 1 calc R U . . .
C00X C -0.00653(10) 0.65641(16) 0.69770(9) 0.0266(4) Uani 1 1 d . . . . .
H00X H -0.042130 0.628950 0.725278 0.032 Uiso 1 1 calc R U . . .
C00Y C 0.03324(10) 0.79405(15) 0.62597(9) 0.0232(4) Uani 1 1 d . . . . .
H00Y H 0.023805 0.860796 0.603962 0.028 Uiso 1 1 calc R U . . .
C00Z C 0.55932(10) 0.53377(17) 0.68178(9) 0.0289(4) Uani 1 1 d . . . . .
H00K H 0.577931 0.498657 0.643710 0.043 Uiso 1 1 calc R U . . .
H00L H 0.549622 0.478471 0.714109 0.043 Uiso 1 1 calc R U . . .
H00N H 0.596569 0.585222 0.699928 0.043 Uiso 1 1 calc R U . . .
C010 C 0.37689(10) 0.97783(16) 0.63353(10) 0.0293(4) Uani 1 1 d . . . . .
H010 H 0.427759 0.961131 0.643804 0.035 Uiso 1 1 calc R U . . .
C011 C 0.04829(12) 0.95869(17) 0.36071(10) 0.0345(5) Uani 1 1 d . . . . .
H011 H 0.024226 0.987249 0.322325 0.041 Uiso 1 1 calc R U . . .
C012 C 0.37779(10) 0.35758(15) 0.71324(9) 0.0233(4) Uani 1 1 d . . . . .
H01A H 0.423376 0.383604 0.736595 0.035 Uiso 1 1 calc R U . . .
H01B H 0.387301 0.345030 0.667955 0.035 Uiso 1 1 calc R U . . .
H01C H 0.361970 0.289475 0.732590 0.035 Uiso 1 1 calc R U . . .
C013 C 0.17251(11) 0.27578(16) 0.47094(10) 0.0294(4) Uani 1 1 d . . . . .
H01D H 0.221645 0.245947 0.483918 0.044 Uiso 1 1 calc R U . . .
H01E H 0.167466 0.283448 0.423919 0.044 Uiso 1 1 calc R U . . .
H01F H 0.133910 0.226616 0.484883 0.044 Uiso 1 1 calc R U . . .
C014 C 0.45913(10) 0.65481(16) 0.72045(9) 0.0263(4) Uani 1 1 d . . . . .
H01G H 0.495801 0.709583 0.735385 0.040 Uiso 1 1 calc R U . . .
H01H H 0.452042 0.602807 0.755224 0.040 Uiso 1 1 calc R U . . .
H01I H 0.411720 0.690503 0.708024 0.040 Uiso 1 1 calc R U . . .
C015 C -0.01900(10) 0.75329(17) 0.66586(9) 0.0266(4) Uani 1 1 d . . . . .
H015 H -0.063572 0.792540 0.671177 0.032 Uiso 1 1 calc R U . . .
C016 C 0.35129(11) 1.08187(16) 0.64154(10) 0.0289(4) Uani 1 1 d . . . . .
H016 H 0.384492 1.137118 0.657360 0.035 Uiso 1 1 calc R U . . .
C017 C 0.45636(10) 0.74463(18) 0.37831(9) 0.0290(4) Uani 1 1 d . . . . .
H01J H 0.485724 0.811403 0.376086 0.044 Uiso 1 1 calc R U . . .
H01K H 0.422560 0.738574 0.339575 0.044 Uiso 1 1 calc R U . . .
H01L H 0.489775 0.681728 0.381015 0.044 Uiso 1 1 calc R U . . .
C018 C 0.11050(11) 0.64029(17) 0.64975(10) 0.0321(5) Uani 1 1 d . . . . .
H018 H 0.154799 0.600310 0.644548 0.038 Uiso 1 1 calc R U . . .
C019 C 0.04585(11) 0.84926(16) 0.45570(10) 0.0290(4) Uani 1 1 d . . . . .
H019 H 0.019008 0.803635 0.482803 0.035 Uiso 1 1 calc R U . . .
C01A C 0.00957(12) 0.89410(17) 0.40091(10) 0.0349(5) Uani 1 1 d . . . . .
H01M H -0.041808 0.880206 0.391230 0.042 Uiso 1 1 calc R U . . .
C01B C 0.30495(11) 0.46817(17) 0.78792(9) 0.0292(4) Uani 1 1 d . . . . .
H01N H 0.292271 0.401162 0.810203 0.044 Uiso 1 1 calc R U . . .
H01O H 0.264398 0.520770 0.790379 0.044 Uiso 1 1 calc R U . . .
H01P H 0.350779 0.498786 0.808490 0.044 Uiso 1 1 calc R U . . .
C01C C 0.27721(12) 1.10618(16) 0.62657(11) 0.0339(5) Uani 1 1 d . . . . .
H01Q H 0.259493 1.178033 0.632226 0.041 Uiso 1 1 calc R U . . .
C01D C 0.15778(11) 0.9386(2) 0.43164(12) 0.0427(6) Uani 1 1 d . . . . .
H01R H 0.208400 0.956350 0.442347 0.051 Uiso 1 1 calc R U . . .
C01E C 0.36125(11) 0.84880(17) 0.43542(10) 0.0303(4) Uani 1 1 d . . . . .
H01S H 0.332070 0.850382 0.473569 0.046 Uiso 1 1 calc R U . . .
H01T H 0.327587 0.846230 0.396452 0.046 Uiso 1 1 calc R U . . .
H01U H 0.392126 0.914278 0.434596 0.046 Uiso 1 1 calc R U . . .
C01F C 0.05778(12) 0.59955(17) 0.68937(11) 0.0370(5) Uani 1 1 d . . . . .
H01V H 0.066269 0.532051 0.710794 0.044 Uiso 1 1 calc R U . . .
C01G C 0.10071(12) 0.6389(2) 0.31266(11) 0.0403(5) Uani 1 1 d . . . . .
H01W H 0.070869 0.591770 0.338838 0.060 Uiso 1 1 calc R U . . .
H01X H 0.083836 0.631334 0.267092 0.060 Uiso 1 1 calc R U . . .
H01Y H 0.094972 0.714657 0.326057 0.060 Uiso 1 1 calc R U . . .
C01H C 0.21418(13) 0.4526(2) 0.30867(12) 0.0435(6) Uani 1 1 d . . . . .
H01Z H 0.265357 0.432674 0.322716 0.065 Uiso 1 1 calc R U . . .
H H 0.205409 0.437775 0.262467 0.065 Uiso 1 1 calc R U . . .
HA H 0.179472 0.409762 0.332752 0.065 Uiso 1 1 calc R U . . .
C01I C 0.12222(13) 0.9818(2) 0.37636(12) 0.0512(7) Uani 1 1 d . . . . .
H01 H 0.148789 1.027565 0.349104 0.061 Uiso 1 1 calc R U . . .
C01J C 0.25908(16) 0.6839(3) 0.27491(11) 0.0567(7) Uani 1 1 d . . . . .
H1 H 0.253412 0.760525 0.286405 0.085 Uiso 1 1 calc R U . . .
HB H 0.244232 0.673734 0.229090 0.085 Uiso 1 1 calc R U . . .
HC H 0.311159 0.662182 0.283198 0.085 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
Sn01 C006 2.1240(16) . ?
Sn01 C00B 2.1412(17) . ?
Sn01 C00C 2.1469(17) . ?
Sn01 C00G 2.1423(17) . ?
P002 N004 1.7171(13) . ?
P002 N005 1.7111(14) . ?
P002 C006 1.8149(16) . ?
Si03 N007 1.7430(16) . ?
Si03 C01G 1.847(2) . ?
Si03 C01H 1.856(2) . ?
Si03 C01J 1.848(2) . ?
N004 C00E 1.442(2) . ?
N004 C00F 1.466(2) . ?
N005 C00A 1.467(2) . ?
N005 C00I 1.434(2) . ?
C006 C009 1.327(2) . ?
N007 C009 1.185(2) . ?
C008 C00D 1.395(2) . ?
C008 C00I 1.418(2) . ?
C008 C00J 1.523(2) . ?
C00A H00A 0.9900 . ?
C00A H00B 0.9900 . ?
C00A C00F 1.516(2) . ?
C00B C019 1.393(3) . ?
C00B C01D 1.387(3) . ?
C00C C00S 1.394(2) . ?
C00C C00W 1.392(3) . ?
C00D H00D 0.9500 . ?
C00D C00Q 1.386(3) . ?
C00E C00L 1.410(2) . ?
C00E C00N 1.410(2) . ?
C00F H00C 0.9900 . ?
C00F H00E 0.9900 . ?
C00G C00Y 1.394(2) . ?
C00G C018 1.387(3) . ?
C00H H00H 1.0000 . ?
C00H C00N 1.518(2) . ?
C00H C00Z 1.537(2) . ?
C00H C014 1.527(2) . ?
C00I C00K 1.409(2) . ?
C00J H00J 1.0000 . ?
C00J C012 1.531(2) . ?
C00J C01B 1.528(2) . ?
C00K C00R 1.397(2) . ?
C00K C00T 1.520(2) . ?
C00L C00M 1.396(2) . ?
C00L C00O 1.516(2) . ?
C00M H00M 0.9500 . ?
C00M C00P 1.385(3) . ?
C00N C00U 1.398(2) . ?
C00O H00O 1.0000 . ?
C00O C017 1.529(2) . ?
C00O C01E 1.531(3) . ?
C00P H00P 0.9500 . ?
C00P C00U 1.379(3) . ?
C00Q H00Q 0.9500 . ?
C00Q C00R 1.375(3) . ?
C00R H00R 0.9500 . ?
C00S H00S 0.9500 . ?
C00S C010 1.388(3) . ?
C00T H00T 1.0000 . ?
C00T C00V 1.536(2) . ?
C00T C013 1.530(3) . ?
C00U H00U 0.9500 . ?
C00V H00F 0.9800 . ?
C00V H00G 0.9800 . ?
C00V H00I 0.9800 . ?
C00W H00W 0.9500 . ?
C00W C01C 1.386(3) . ?
C00X H00X 0.9500 . ?
C00X C015 1.375(3) . ?
C00X C01F 1.374(3) . ?
C00Y H00Y 0.9500 . ?
C00Y C015 1.389(3) . ?
C00Z H00K 0.9800 . ?
C00Z H00L 0.9800 . ?
C00Z H00N 0.9800 . ?
C010 H010 0.9500 . ?
C010 C016 1.375(3) . ?
C011 H011 0.9500 . ?
C011 C01A 1.376(3) . ?
C011 C01I 1.380(3) . ?
C012 H01A 0.9800 . ?
C012 H01B 0.9800 . ?
C012 H01C 0.9800 . ?
C013 H01D 0.9800 . ?
C013 H01E 0.9800 . ?
C013 H01F 0.9800 . ?
C014 H01G 0.9800 . ?
C014 H01H 0.9800 . ?
C014 H01I 0.9800 . ?
C015 H015 0.9500 . ?
C016 H016 0.9500 . ?
C016 C01C 1.383(3) . ?
C017 H01J 0.9800 . ?
C017 H01K 0.9800 . ?
C017 H01L 0.9800 . ?
C018 H018 0.9500 . ?
C018 C01F 1.391(3) . ?
C019 H019 0.9500 . ?
C019 C01A 1.389(3) . ?
C01A H01M 0.9500 . ?
C01B H01N 0.9800 . ?
C01B H01O 0.9800 . ?
C01B H01P 0.9800 . ?
C01C H01Q 0.9500 . ?
C01D H01R 0.9500 . ?
C01D C01I 1.384(3) . ?
C01E H01S 0.9800 . ?
C01E H01T 0.9800 . ?
C01E H01U 0.9800 . ?
C01F H01V 0.9500 . ?
C01G H01W 0.9800 . ?
C01G H01X 0.9800 . ?
C01G H01Y 0.9800 . ?
C01H H01Z 0.9800 . ?
C01H H 0.9800 . ?
C01H HA 0.9800 . ?
C01I H01 0.9500 . ?
C01J H1 0.9800 . ?
C01J HB 0.9800 . ?
C01J HC 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
C006 Sn01 C00B 108.75(6) . . ?
C006 Sn01 C00C 108.63(6) . . ?
C006 Sn01 C00G 108.80(6) . . ?
C00B Sn01 C00C 106.74(7) . . ?
C00B Sn01 C00G 108.86(7) . . ?
C00G Sn01 C00C 114.91(6) . . ?
N004 P002 C006 105.21(7) . . ?
N005 P002 N004 89.83(6) . . ?
N005 P002 C006 108.65(7) . . ?
N007 Si03 C01G 106.68(9) . . ?
N007 Si03 C01H 106.64(10) . . ?
N007 Si03 C01J 107.95(10) . . ?
C01G Si03 C01H 112.39(11) . . ?
C01G Si03 C01J 111.80(13) . . ?
C01J Si03 C01H 111.05(13) . . ?
C00E N004 P002 121.21(10) . . ?
C00E N004 C00F 117.83(12) . . ?
C00F N004 P002 115.08(10) . . ?
C00A N005 P002 113.57(10) . . ?
C00I N005 P002 120.95(10) . . ?
C00I N005 C00A 122.99(13) . . ?
P002 C006 Sn01 117.65(8) . . ?
C009 C006 Sn01 115.68(12) . . ?
C009 C006 P002 126.31(13) . . ?
C009 N007 Si03 170.06(15) . . ?
C00D C008 C00I 118.85(15) . . ?
C00D C008 C00J 120.15(15) . . ?
C00I C008 C00J 120.93(14) . . ?
N007 C009 C006 179.0(2) . . ?
N005 C00A H00A 110.8 . . ?
N005 C00A H00B 110.8 . . ?
N005 C00A C00F 104.85(13) . . ?
H00A C00A H00B 108.9 . . ?
C00F C00A H00A 110.8 . . ?
C00F C00A H00B 110.8 . . ?
C019 C00B Sn01 122.07(13) . . ?
C01D C00B Sn01 120.23(14) . . ?
C01D C00B C019 117.69(17) . . ?
C00S C00C Sn01 121.58(13) . . ?
C00W C00C Sn01 120.50(13) . . ?
C00W C00C C00S 117.82(16) . . ?
C008 C00D H00D 119.4 . . ?
C00Q C00D C008 121.11(16) . . ?
C00Q C00D H00D 119.4 . . ?
C00L C00E N004 119.28(14) . . ?
C00N C00E N004 120.55(14) . . ?
C00N C00E C00L 120.16(15) . . ?
N004 C00F C00A 106.30(12) . . ?
N004 C00F H00C 110.5 . . ?
N004 C00F H00E 110.5 . . ?
C00A C00F H00C 110.5 . . ?
C00A C00F H00E 110.5 . . ?
H00C C00F H00E 108.7 . . ?
C00Y C00G Sn01 121.32(13) . . ?
C018 C00G Sn01 120.78(13) . . ?
C018 C00G C00Y 117.83(16) . . ?
C00N C00H H00H 107.9 . . ?
C00N C00H C00Z 111.75(14) . . ?
C00N C00H C014 111.03(15) . . ?
C00Z C00H H00H 107.9 . . ?
C014 C00H H00H 107.9 . . ?
C014 C00H C00Z 110.19(15) . . ?
C008 C00I N005 117.99(14) . . ?
C00K C00I N005 121.89(15) . . ?
C00K C00I C008 120.11(15) . . ?
C008 C00J H00J 107.6 . . ?
C008 C00J C012 109.79(14) . . ?
C008 C00J C01B 114.23(14) . . ?
C012 C00J H00J 107.6 . . ?
C01B C00J H00J 107.6 . . ?
C01B C00J C012 109.67(14) . . ?
C00I C00K C00T 123.22(15) . . ?
C00R C00K C00I 118.41(16) . . ?
C00R C00K C00T 118.37(15) . . ?
C00E C00L C00O 122.06(14) . . ?
C00M C00L C00E 119.00(15) . . ?
C00M C00L C00O 118.93(15) . . ?
C00L C00M H00M 119.5 . . ?
C00P C00M C00L 121.03(17) . . ?
C00P C00M H00M 119.5 . . ?
C00E C00N C00H 122.71(14) . . ?
C00U C00N C00E 118.62(16) . . ?
C00U C00N C00H 118.67(15) . . ?
C00L C00O H00O 108.1 . . ?
C00L C00O C017 111.87(14) . . ?
C00L C00O C01E 110.90(15) . . ?
C017 C00O H00O 108.1 . . ?
C017 C00O C01E 109.71(15) . . ?
C01E C00O H00O 108.1 . . ?
C00M C00P H00P 120.1 . . ?
C00U C00P C00M 119.72(16) . . ?
C00U C00P H00P 120.1 . . ?
C00D C00Q H00Q 120.2 . . ?
C00R C00Q C00D 119.59(16) . . ?
C00R C00Q H00Q 120.2 . . ?
C00K C00R H00R 119.0 . . ?
C00Q C00R C00K 121.91(16) . . ?
C00Q C00R H00R 119.0 . . ?
C00C C00S H00S 119.4 . . ?
C010 C00S C00C 121.18(17) . . ?
C010 C00S H00S 119.4 . . ?
C00K C00T H00T 107.7 . . ?
C00K C00T C00V 112.12(15) . . ?
C00K C00T C013 110.19(15) . . ?
C00V C00T H00T 107.7 . . ?
C013 C00T H00T 107.7 . . ?
C013 C00T C00V 111.11(15) . . ?
C00N C00U H00U 119.3 . . ?
C00P C00U C00N 121.47(16) . . ?
C00P C00U H00U 119.3 . . ?
C00T C00V H00F 109.5 . . ?
C00T C00V H00G 109.5 . . ?
C00T C00V H00I 109.5 . . ?
H00F C00V H00G 109.5 . . ?
H00F C00V H00I 109.5 . . ?
H00G C00V H00I 109.5 . . ?
C00C C00W H00W 119.4 . . ?
C01C C00W C00C 121.13(17) . . ?
C01C C00W H00W 119.4 . . ?
C015 C00X H00X 120.2 . . ?
C01F C00X H00X 120.2 . . ?
C01F C00X C015 119.55(18) . . ?
C00G C00Y H00Y 119.5 . . ?
C015 C00Y C00G 120.94(17) . . ?
C015 C00Y H00Y 119.5 . . ?
C00H C00Z H00K 109.5 . . ?
C00H C00Z H00L 109.5 . . ?
C00H C00Z H00N 109.5 . . ?
H00K C00Z H00L 109.5 . . ?
H00K C00Z H00N 109.5 . . ?
H00L C00Z H00N 109.5 . . ?
C00S C010 H010 120.1 . . ?
C016 C010 C00S 119.90(18) . . ?
C016 C010 H010 120.1 . . ?
C01A C011 H011 120.1 . . ?
C01A C011 C01I 119.76(19) . . ?
C01I C011 H011 120.1 . . ?
C00J C012 H01A 109.5 . . ?
C00J C012 H01B 109.5 . . ?
C00J C012 H01C 109.5 . . ?
H01A C012 H01B 109.5 . . ?
H01A C012 H01C 109.5 . . ?
H01B C012 H01C 109.5 . . ?
C00T C013 H01D 109.5 . . ?
C00T C013 H01E 109.5 . . ?
C00T C013 H01F 109.5 . . ?
H01D C013 H01E 109.5 . . ?
H01D C013 H01F 109.5 . . ?
H01E C013 H01F 109.5 . . ?
C00H C014 H01G 109.5 . . ?
C00H C014 H01H 109.5 . . ?
C00H C014 H01I 109.5 . . ?
H01G C014 H01H 109.5 . . ?
H01G C014 H01I 109.5 . . ?
H01H C014 H01I 109.5 . . ?
C00X C015 C00Y 120.33(17) . . ?
C00X C015 H015 119.8 . . ?
C00Y C015 H015 119.8 . . ?
C010 C016 H016 120.0 . . ?
C010 C016 C01C 120.05(18) . . ?
C01C C016 H016 120.0 . . ?
C00O C017 H01J 109.5 . . ?
C00O C017 H01K 109.5 . . ?
C00O C017 H01L 109.5 . . ?
H01J C017 H01K 109.5 . . ?
H01J C017 H01L 109.5 . . ?
H01K C017 H01L 109.5 . . ?
C00G C018 H018 119.5 . . ?
C00G C018 C01F 120.97(17) . . ?
C01F C018 H018 119.5 . . ?
C00B C019 H019 119.4 . . ?
C01A C019 C00B 121.30(19) . . ?
C01A C019 H019 119.4 . . ?
C011 C01A C019 119.79(19) . . ?
C011 C01A H01M 120.1 . . ?
C019 C01A H01M 120.1 . . ?
C00J C01B H01N 109.5 . . ?
C00J C01B H01O 109.5 . . ?
C00J C01B H01P 109.5 . . ?
H01N C01B H01O 109.5 . . ?
H01N C01B H01P 109.5 . . ?
H01O C01B H01P 109.5 . . ?
C00W C01C H01Q 120.0 . . ?
C016 C01C C00W 119.93(18) . . ?
C016 C01C H01Q 120.0 . . ?
C00B C01D H01R 119.4 . . ?
C01I C01D C00B 121.2(2) . . ?
C01I C01D H01R 119.4 . . ?
C00O C01E H01S 109.5 . . ?
C00O C01E H01T 109.5 . . ?
C00O C01E H01U 109.5 . . ?
H01S C01E H01T 109.5 . . ?
H01S C01E H01U 109.5 . . ?
H01T C01E H01U 109.5 . . ?
C00X C01F C018 120.37(19) . . ?
C00X C01F H01V 119.8 . . ?
C018 C01F H01V 119.8 . . ?
Si03 C01G H01W 109.5 . . ?
Si03 C01G H01X 109.5 . . ?
Si03 C01G H01Y 109.5 . . ?
H01W C01G H01X 109.5 . . ?
H01W C01G H01Y 109.5 . . ?
H01X C01G H01Y 109.5 . . ?
Si03 C01H H01Z 109.5 . . ?
Si03 C01H H 109.5 . . ?
Si03 C01H HA 109.5 . . ?
H01Z C01H H 109.5 . . ?
H01Z C01H HA 109.5 . . ?
H C01H HA 109.5 . . ?
C011 C01I C01D 120.2(2) . . ?
C011 C01I H01 119.9 . . ?
C01D C01I H01 119.9 . . ?
Si03 C01J H1 109.5 . . ?
Si03 C01J HB 109.5 . . ?
Si03 C01J HC 109.5 . . ?
H1 C01J HB 109.5 . . ?
H1 C01J HC 109.5 . . ?
HB C01J HC 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
Sn01 C00B C019 C01A -178.06(16) . . . . ?
Sn01 C00B C01D C01I 176.8(2) . . . . ?
Sn01 C00C C00S C010 176.50(15) . . . . ?
Sn01 C00C C00W C01C -176.74(16) . . . . ?
Sn01 C00G C00Y C015 178.16(14) . . . . ?
Sn01 C00G C018 C01F -177.81(17) . . . . ?
P002 N004 C00E C00L -106.18(15) . . . . ?
P002 N004 C00E C00N 74.71(18) . . . . ?
P002 N004 C00F C00A 17.87(16) . . . . ?
P002 N005 C00A C00F 33.60(15) . . . . ?
P002 N005 C00I C008 -76.58(17) . . . . ?
P002 N005 C00I C00K 102.46(16) . . . . ?
N004 P002 N005 C00A -20.76(11) . . . . ?
N004 P002 N005 C00I 176.62(12) . . . . ?
N004 P002 C006 Sn01 -133.09(8) . . . . ?
N004 P002 C006 C009 39.70(17) . . . . ?
N004 C00E C00L C00M -179.58(15) . . . . ?
N004 C00E C00L C00O 1.5(2) . . . . ?
N004 C00E C00N C00H -1.5(2) . . . . ?
N004 C00E C00N C00U 179.17(15) . . . . ?
N005 P002 N004 C00E -151.63(12) . . . . ?
N005 P002 N004 C00F 0.75(12) . . . . ?
N005 P002 C006 Sn01 131.83(8) . . . . ?
N005 P002 C006 C009 -55.37(17) . . . . ?
N005 C00A C00F N004 -30.50(17) . . . . ?
N005 C00I C00K C00R 179.68(15) . . . . ?
N005 C00I C00K C00T 0.2(2) . . . . ?
C006 P002 N004 C00E 99.06(13) . . . . ?
C006 P002 N004 C00F -108.55(12) . . . . ?
C006 P002 N005 C00A 85.26(12) . . . . ?
C006 P002 N005 C00I -77.37(13) . . . . ?
C008 C00D C00Q C00R -0.4(3) . . . . ?
C008 C00I C00K C00R -1.3(2) . . . . ?
C008 C00I C00K C00T 179.21(15) . . . . ?
C00A N005 C00I C008 122.46(16) . . . . ?
C00A N005 C00I C00K -58.5(2) . . . . ?
C00B C019 C01A C011 1.2(3) . . . . ?
C00B C01D C01I C011 1.3(4) . . . . ?
C00C C00S C010 C016 0.0(3) . . . . ?
C00C C00W C01C C016 0.4(3) . . . . ?
C00D C008 C00I N005 -179.71(14) . . . . ?
C00D C008 C00I C00K 1.2(2) . . . . ?
C00D C008 C00J C012 97.90(18) . . . . ?
C00D C008 C00J C01B -25.8(2) . . . . ?
C00D C00Q C00R C00K 0.3(3) . . . . ?
C00E N004 C00F C00A 171.24(13) . . . . ?
C00E C00L C00M C00P 0.8(3) . . . . ?
C00E C00L C00O C017 -128.57(17) . . . . ?
C00E C00L C00O C01E 108.59(18) . . . . ?
C00E C00N C00U C00P 0.0(3) . . . . ?
C00F N004 C00E C00L 102.16(17) . . . . ?
C00F N004 C00E C00N -76.94(19) . . . . ?
C00G C00Y C015 C00X -0.5(3) . . . . ?
C00G C018 C01F C00X -0.2(3) . . . . ?
C00H C00N C00U C00P -179.30(17) . . . . ?
C00I N005 C00A C00F -164.17(14) . . . . ?
C00I C008 C00D C00Q -0.4(3) . . . . ?
C00I C008 C00J C012 -79.03(19) . . . . ?
C00I C008 C00J C01B 157.31(16) . . . . ?
C00I C00K C00R C00Q 0.5(3) . . . . ?
C00I C00K C00T C00V -128.91(17) . . . . ?
C00I C00K C00T C013 106.78(18) . . . . ?
C00J C008 C00D C00Q -177.39(16) . . . . ?
C00J C008 C00I N005 -2.7(2) . . . . ?
C00J C008 C00I C00K 178.20(15) . . . . ?
C00L C00E C00N C00H 179.40(15) . . . . ?
C00L C00E C00N C00U 0.1(2) . . . . ?
C00L C00M C00P C00U -0.6(3) . . . . ?
C00M C00L C00O C017 52.5(2) . . . . ?
C00M C00L C00O C01E -70.3(2) . . . . ?
C00M C00P C00U C00N 0.2(3) . . . . ?
C00N C00E C00L C00M -0.5(2) . . . . ?
C00N C00E C00L C00O -179.40(15) . . . . ?
C00O C00L C00M C00P 179.71(17) . . . . ?
C00R C00K C00T C00V 51.6(2) . . . . ?
C00R C00K C00T C013 -72.7(2) . . . . ?
C00S C00C C00W C01C -0.4(3) . . . . ?
C00S C010 C016 C01C 0.0(3) . . . . ?
C00T C00K C00R C00Q -179.94(17) . . . . ?
C00W C00C C00S C010 0.2(3) . . . . ?
C00Y C00G C018 C01F -0.8(3) . . . . ?
C00Z C00H C00N C00E 126.70(17) . . . . ?
C00Z C00H C00N C00U -54.0(2) . . . . ?
C010 C016 C01C C00W -0.2(3) . . . . ?
C014 C00H C00N C00E -109.83(18) . . . . ?
C014 C00H C00N C00U 69.5(2) . . . . ?
C015 C00X C01F C018 0.9(3) . . . . ?
C018 C00G C00Y C015 1.1(3) . . . . ?
C019 C00B C01D C01I -2.5(3) . . . . ?
C01A C011 C01I C01D 1.2(4) . . . . ?
C01D C00B C019 C01A 1.2(3) . . . . ?
C01F C00X C015 C00Y -0.6(3) . . . . ?
C01I C011 C01A C019 -2.4(3) . . . . ?

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

data_4
_database_code_depnum_ccdc_archive 'CCDC 2178249'
loop_
_audit_author_name
_audit_author_address
'Rui Wei'
;southern university of science and thehnology
China
;
_audit_update_record             
;
2022-06-10 deposited with the CCDC.	2024-08-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C46 H53 N2 O P Sn'
_chemical_formula_sum            'C46 H53 N2 O P Sn'
_chemical_formula_weight         799.56
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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                   9.9668(4)
_cell_length_b                   10.3764(4)
_cell_length_c                   20.4573(8)
_cell_angle_alpha                89.474(2)
_cell_angle_beta                 76.827(2)
_cell_angle_gamma                77.353(2)
_cell_volume                     2008.19(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9535
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      72.234
_cell_measurement_theta_min      4.674
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.707
_exptl_absorpt_correction_T_max  0.7535
_exptl_absorpt_correction_T_min  0.6467
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0779 before and 0.0415 after correction.
The Ratio of minimum to maximum transmission is 0.8583.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0268
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            35231
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.235
_diffrn_reflns_theta_min         2.220
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_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                7488
_reflns_number_total             7649
_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         0.422
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         7649
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0193
_refine_ls_R_factor_gt           0.0188
_refine_ls_restrained_S_all      0.975
_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)+(0.0131P)²+1.6897P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0446
_refine_ls_wR_factor_ref         0.0448
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00A(H00A), C00M(H00M), C00O(H00O), C00S(H00S)
2.b Secondary CH2 refined with riding coordinates:
 C00B(H00B,H00C), C00D(H00D,H00E)
2.c Aromatic/amide H refined with riding coordinates:
 C00H(H00H), C00L(H00L), C00N(H00N), C00Q(H00Q), C00R(H00R), C00T(H00T),
 C00X(H00Z), C00Y(H00), C00Z(H1), C010(H010), C011(H011), C012(H012),
 C014(H014), C016(H016), C018(H018), C01A(H01M), C01B(H01N), C01C(H01O),
 C01D(H01P), C01E(H01Q), C01F(H01R)
2.d Idealised Me refined as rotating group:
 C00P(H00F,H00G,H00I), C00U(H00J,H00K,H00P), C00V(H00U,H00V,H00W), C00W(H00X,
 H00Y,H), C013(H01A,H01B,H01C), C015(H01D,H01E,H01F), C017(H01G,H01H,H01I),
 C019(H01J,H01K,H01L)
;
_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
Sn01 Sn 0.67531(2) 0.41262(2) 0.22711(2) 0.01387(4) Uani 1 1 d . . . . .
P002 P 0.36441(4) 0.30948(3) 0.27031(2) 0.01169(7) Uani 1 1 d . . . . .
N003 N 0.23704(12) 0.32813(12) 0.22611(6) 0.0123(2) Uani 1 1 d . . . . .
N004 N 0.23818(13) 0.35632(12) 0.34260(6) 0.0125(2) Uani 1 1 d . . . . .
O005 O 0.31948(13) 0.68519(11) 0.27185(6) 0.0267(3) Uani 1 1 d . . . . .
C006 C 0.45071(15) 0.45241(14) 0.25457(7) 0.0144(3) Uani 1 1 d . . . . .
C007 C 0.75242(16) 0.30636(15) 0.13227(7) 0.0175(3) Uani 1 1 d . . . . .
C008 C 0.26824(15) 0.29390(14) 0.15538(7) 0.0134(3) Uani 1 1 d . . . . .
C009 C 0.74396(16) 0.27885(15) 0.29931(8) 0.0162(3) Uani 1 1 d . . . . .
C00A C 0.25973(16) 0.53605(15) 0.12614(8) 0.0175(3) Uani 1 1 d . . . . .
H00A H 0.254917 0.543247 0.175375 0.021 Uiso 1 1 calc R U . . .
C00B C 0.09200(16) 0.38118(15) 0.33508(7) 0.0157(3) Uani 1 1 d . . . . .
H00B H 0.031927 0.456591 0.364899 0.019 Uiso 1 1 calc R U . . .
H00C H 0.052023 0.302143 0.345945 0.019 Uiso 1 1 calc R U . . .
C00C C 0.28007(16) 0.39095(15) 0.10713(7) 0.0160(3) Uani 1 1 d . . . . .
C00D C 0.10182(15) 0.41286(15) 0.26152(7) 0.0154(3) Uani 1 1 d . . . . .
H00D H 0.021996 0.391567 0.245801 0.019 Uiso 1 1 calc R U . . .
H00E H 0.101735 0.507429 0.254616 0.019 Uiso 1 1 calc R U . . .
C00E C 0.28911(16) 0.15982(15) 0.13507(7) 0.0159(3) Uani 1 1 d . . . . .
C00F C 0.26601(15) 0.32622(14) 0.40751(7) 0.0126(3) Uani 1 1 d . . . . .
C00G C 0.73628(16) 0.59788(15) 0.22391(8) 0.0179(3) Uani 1 1 d . . . . .
C00H C 0.66161(17) 0.27465(16) 0.36402(8) 0.0199(3) Uani 1 1 d . . . . .
H00H H 0.576683 0.339775 0.379060 0.024 Uiso 1 1 calc R U . . .
C00I C 0.38291(16) 0.57535(15) 0.26357(7) 0.0170(3) Uani 1 1 d . . . . .
C00J C 0.29655(15) 0.19417(14) 0.42696(7) 0.0147(3) Uani 1 1 d . . . . .
C00K C 0.26227(15) 0.43130(14) 0.45179(7) 0.0146(3) Uani 1 1 d . . . . .
C00L C 0.86895(17) 0.18195(16) 0.27895(8) 0.0200(3) Uani 1 1 d . . . . .
H00L H 0.926455 0.182898 0.235057 0.024 Uiso 1 1 calc R U . . .
C00M C 0.29802(17) 0.07732(14) 0.38216(8) 0.0170(3) Uani 1 1 d . . . . .
H00M H 0.273249 0.112680 0.339757 0.020 Uiso 1 1 calc R U . . .
C00N C 0.32657(18) 0.12608(16) 0.06631(8) 0.0217(3) Uani 1 1 d . . . . .
H00N H 0.344944 0.035803 0.051976 0.026 Uiso 1 1 calc R U . . .
C00O C 0.27533(17) 0.05077(15) 0.18447(8) 0.0183(3) Uani 1 1 d . . . . .
H00O H 0.229531 0.092863 0.230203 0.022 Uiso 1 1 calc R U . . .
C00P C 0.36539(17) 0.63039(15) 0.42758(8) 0.0205(3) Uani 1 1 d . . . . .
H00F H 0.388502 0.628049 0.471708 0.031 Uiso 1 1 calc R U . . .
H00G H 0.347025 0.721900 0.413556 0.031 Uiso 1 1 calc R U . . .
H00I H 0.444934 0.576899 0.394692 0.031 Uiso 1 1 calc R U . . .
C00Q C 0.91025(18) 0.08463(16) 0.32174(8) 0.0226(3) Uani 1 1 d . . . . .
H00Q H 0.995901 0.020140 0.307244 0.027 Uiso 1 1 calc R U . . .
C00R C 0.77429(18) 0.64837(17) 0.27821(8) 0.0245(4) Uani 1 1 d . . . . .
H00R H 0.777689 0.597959 0.317036 0.029 Uiso 1 1 calc R U . . .
C00S C 0.23335(16) 0.57449(14) 0.43196(8) 0.0161(3) Uani 1 1 d . . . . .
H00S H 0.212746 0.576595 0.386308 0.019 Uiso 1 1 calc R U . . .
C00T C 0.31181(18) 0.35220(17) 0.03910(8) 0.0222(3) Uani 1 1 d . . . . .
H00T H 0.315745 0.417512 0.006298 0.027 Uiso 1 1 calc R U . . .
C00U C 0.11988(18) 0.61573(17) 0.11405(9) 0.0264(4) Uani 1 1 d . . . . .
H00J H 0.120049 0.607791 0.066327 0.040 Uiso 1 1 calc R U . . .
H00K H 0.108367 0.708877 0.127043 0.040 Uiso 1 1 calc R U . . .
H00P H 0.041551 0.581592 0.141012 0.040 Uiso 1 1 calc R U . . .
C00V C 0.38485(18) 0.59257(16) 0.08920(9) 0.0239(4) Uani 1 1 d . . . . .
H00U H 0.473455 0.534449 0.094158 0.036 Uiso 1 1 calc R U . . .
H00V H 0.376769 0.680874 0.108417 0.036 Uiso 1 1 calc R U . . .
H00W H 0.384260 0.598510 0.041426 0.036 Uiso 1 1 calc R U . . .
C00W C 0.42139(19) -0.03266(16) 0.18656(9) 0.0263(4) Uani 1 1 d . . . . .
H00X H 0.468904 -0.073420 0.141891 0.039 Uiso 1 1 calc R U . . .
H00Y H 0.410734 -0.101910 0.218992 0.039 Uiso 1 1 calc R U . . .
H H 0.477990 0.023988 0.200138 0.039 Uiso 1 1 calc R U . . .
C00X C 0.32199(17) 0.27250(16) 0.53378(8) 0.0195(3) Uani 1 1 d . . . . .
H00Z H 0.341901 0.254081 0.576594 0.023 Uiso 1 1 calc R U . . .
C00Y C 0.82633(18) 0.08139(16) 0.38587(8) 0.0215(3) Uani 1 1 d . . . . .
H00 H 0.854034 0.014365 0.415150 0.026 Uiso 1 1 calc R U . . .
C00Z C 0.33754(19) 0.22096(17) 0.01862(8) 0.0247(4) Uani 1 1 d . . . . .
H1 H 0.362605 0.195958 -0.027886 0.030 Uiso 1 1 calc R U . . .
C010 C 0.28995(17) 0.40186(15) 0.51463(8) 0.0182(3) Uani 1 1 d . . . . .
H010 H 0.286774 0.471877 0.544937 0.022 Uiso 1 1 calc R U . . .
C011 C 0.89254(18) 0.29287(18) 0.09693(8) 0.0260(4) Uani 1 1 d . . . . .
H011 H 0.951966 0.339904 0.112325 0.031 Uiso 1 1 calc R U . . .
C012 C 0.32486(16) 0.17009(15) 0.49017(8) 0.0176(3) Uani 1 1 d . . . . .
H012 H 0.346591 0.081530 0.503619 0.021 Uiso 1 1 calc R U . . .
C013 C 0.18655(18) 0.00197(16) 0.41603(9) 0.0230(3) Uani 1 1 d . . . . .
H01A H 0.212706 -0.039736 0.455869 0.034 Uiso 1 1 calc R U . . .
H01B H 0.181292 -0.066214 0.384459 0.034 Uiso 1 1 calc R U . . .
H01C H 0.094315 0.063628 0.429436 0.034 Uiso 1 1 calc R U . . .
C014 C 0.66816(18) 0.23701(17) 0.10818(9) 0.0259(4) Uani 1 1 d . . . . .
H014 H 0.572494 0.245326 0.131586 0.031 Uiso 1 1 calc R U . . .
C015 C 0.18313(18) -0.03823(16) 0.16722(9) 0.0244(4) Uani 1 1 d . . . . .
H01D H 0.091977 0.016296 0.163201 0.037 Uiso 1 1 calc R U . . .
H01E H 0.167595 -0.100679 0.202899 0.037 Uiso 1 1 calc R U . . .
H01F H 0.230856 -0.087224 0.124530 0.037 Uiso 1 1 calc R U . . .
C016 C 0.73285(18) 0.67360(17) 0.16745(9) 0.0252(4) Uani 1 1 d . . . . .
H016 H 0.707517 0.640342 0.129949 0.030 Uiso 1 1 calc R U . . .
C017 C 0.44524(18) -0.01448(16) 0.36339(9) 0.0238(3) Uani 1 1 d . . . . .
H01G H 0.513385 0.034714 0.339223 0.036 Uiso 1 1 calc R U . . .
H01H H 0.443274 -0.088690 0.334597 0.036 Uiso 1 1 calc R U . . .
H01I H 0.473252 -0.048203 0.404330 0.036 Uiso 1 1 calc R U . . .
C018 C 0.70232(18) 0.17622(16) 0.40683(8) 0.0222(3) Uani 1 1 d . . . . .
H018 H 0.644715 0.174189 0.450598 0.027 Uiso 1 1 calc R U . . .
C019 C 0.10488(17) 0.65973(15) 0.48059(8) 0.0222(3) Uani 1 1 d . . . . .
H01J H 0.022321 0.621492 0.483097 0.033 Uiso 1 1 calc R U . . .
H01K H 0.085751 0.749598 0.464437 0.033 Uiso 1 1 calc R U . . .
H01L H 0.124451 0.662565 0.525313 0.033 Uiso 1 1 calc R U . . .
C01A C 0.94547(19) 0.2107(2) 0.03916(9) 0.0333(4) Uani 1 1 d . . . . .
H01M H 1.041033 0.201711 0.015465 0.040 Uiso 1 1 calc R U . . .
C01B C 0.8073(2) 0.77201(18) 0.27596(10) 0.0329(4) Uani 1 1 d . . . . .
H01N H 0.833317 0.805628 0.313155 0.040 Uiso 1 1 calc R U . . .
C01C C 0.8604(2) 0.14223(19) 0.01611(9) 0.0316(4) Uani 1 1 d . . . . .
H01O H 0.897281 0.086035 -0.023224 0.038 Uiso 1 1 calc R U . . .
C01D C 0.80223(19) 0.84636(17) 0.21955(10) 0.0311(4) Uani 1 1 d . . . . .
H01P H 0.823759 0.931254 0.218314 0.037 Uiso 1 1 calc R U . . .
C01E C 0.76598(18) 0.79709(17) 0.16528(10) 0.0299(4) Uani 1 1 d . . . . .
H01Q H 0.763640 0.847530 0.126397 0.036 Uiso 1 1 calc R U . . .
C01F C 0.7215(2) 0.15561(19) 0.05035(9) 0.0327(4) Uani 1 1 d . . . . .
H01R H 0.662297 0.109158 0.034394 0.039 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
Sn01 C006 2.1269(15) . ?
Sn01 C007 2.1352(15) . ?
Sn01 C009 2.1409(16) . ?
Sn01 C00G 2.1354(15) . ?
P002 N003 1.6969(13) . ?
P002 N004 1.7038(12) . ?
P002 C006 1.8619(15) . ?
N003 C008 1.4395(18) . ?
N003 C00D 1.4703(18) . ?
N004 C00B 1.4662(19) . ?
N004 C00F 1.4354(19) . ?
O005 C00I 1.1690(19) . ?
C006 C00I 1.299(2) . ?
C007 C011 1.396(2) . ?
C007 C014 1.388(2) . ?
C008 C00C 1.408(2) . ?
C008 C00E 1.413(2) . ?
C009 C00H 1.395(2) . ?
C009 C00L 1.400(2) . ?
C00A H00A 1.0000 . ?
C00A C00C 1.517(2) . ?
C00A C00U 1.529(2) . ?
C00A C00V 1.534(2) . ?
C00B H00B 0.9900 . ?
C00B H00C 0.9900 . ?
C00B C00D 1.523(2) . ?
C00C C00T 1.397(2) . ?
C00D H00D 0.9900 . ?
C00D H00E 0.9900 . ?
C00E C00N 1.397(2) . ?
C00E C00O 1.518(2) . ?
C00F C00J 1.411(2) . ?
C00F C00K 1.413(2) . ?
C00G C00R 1.393(2) . ?
C00G C016 1.394(2) . ?
C00H H00H 0.9500 . ?
C00H C018 1.392(2) . ?
C00J C00M 1.522(2) . ?
C00J C012 1.394(2) . ?
C00K C00S 1.520(2) . ?
C00K C010 1.393(2) . ?
C00L H00L 0.9500 . ?
C00L C00Q 1.386(2) . ?
C00M H00M 1.0000 . ?
C00M C013 1.531(2) . ?
C00M C017 1.532(2) . ?
C00N H00N 0.9500 . ?
C00N C00Z 1.384(2) . ?
C00O H00O 1.0000 . ?
C00O C00W 1.532(2) . ?
C00O C015 1.532(2) . ?
C00P H00F 0.9800 . ?
C00P H00G 0.9800 . ?
C00P H00I 0.9800 . ?
C00P C00S 1.535(2) . ?
C00Q H00Q 0.9500 . ?
C00Q C00Y 1.390(2) . ?
C00R H00R 0.9500 . ?
C00R C01B 1.390(2) . ?
C00S H00S 1.0000 . ?
C00S C019 1.533(2) . ?
C00T H00T 0.9500 . ?
C00T C00Z 1.380(2) . ?
C00U H00J 0.9800 . ?
C00U H00K 0.9800 . ?
C00U H00P 0.9800 . ?
C00V H00U 0.9800 . ?
C00V H00V 0.9800 . ?
C00V H00W 0.9800 . ?
C00W H00X 0.9800 . ?
C00W H00Y 0.9800 . ?
C00W H 0.9800 . ?
C00X H00Z 0.9500 . ?
C00X C010 1.385(2) . ?
C00X C012 1.385(2) . ?
C00Y H00 0.9500 . ?
C00Y C018 1.383(2) . ?
C00Z H1 0.9500 . ?
C010 H010 0.9500 . ?
C011 H011 0.9500 . ?
C011 C01A 1.393(2) . ?
C012 H012 0.9500 . ?
C013 H01A 0.9800 . ?
C013 H01B 0.9800 . ?
C013 H01C 0.9800 . ?
C014 H014 0.9500 . ?
C014 C01F 1.389(2) . ?
C015 H01D 0.9800 . ?
C015 H01E 0.9800 . ?
C015 H01F 0.9800 . ?
C016 H016 0.9500 . ?
C016 C01E 1.389(2) . ?
C017 H01G 0.9800 . ?
C017 H01H 0.9800 . ?
C017 H01I 0.9800 . ?
C018 H018 0.9500 . ?
C019 H01J 0.9800 . ?
C019 H01K 0.9800 . ?
C019 H01L 0.9800 . ?
C01A H01M 0.9500 . ?
C01A C01C 1.377(3) . ?
C01B H01N 0.9500 . ?
C01B C01D 1.387(3) . ?
C01C H01O 0.9500 . ?
C01C C01F 1.379(3) . ?
C01D H01P 0.9500 . ?
C01D C01E 1.378(3) . ?
C01E H01Q 0.9500 . ?
C01F H01R 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C006 Sn01 C007 110.36(6) . . ?
C006 Sn01 C009 105.29(6) . . ?
C006 Sn01 C00G 107.55(6) . . ?
C007 Sn01 C009 105.77(6) . . ?
C007 Sn01 C00G 111.38(6) . . ?
C00G Sn01 C009 116.29(6) . . ?
N003 P002 N004 90.09(6) . . ?
N003 P002 C006 108.19(6) . . ?
N004 P002 C006 103.74(6) . . ?
C008 N003 P002 122.48(10) . . ?
C008 N003 C00D 122.37(12) . . ?
C00D N003 P002 113.29(9) . . ?
C00B N004 P002 115.13(9) . . ?
C00F N004 P002 121.91(10) . . ?
C00F N004 C00B 119.01(11) . . ?
P002 C006 Sn01 118.05(7) . . ?
C00I C006 Sn01 117.67(11) . . ?
C00I C006 P002 124.11(12) . . ?
C011 C007 Sn01 121.00(12) . . ?
C014 C007 Sn01 120.16(11) . . ?
C014 C007 C011 118.46(14) . . ?
C00C C008 N003 121.12(13) . . ?
C00C C008 C00E 120.36(13) . . ?
C00E C008 N003 118.52(13) . . ?
C00H C009 Sn01 122.60(11) . . ?
C00H C009 C00L 118.09(15) . . ?
C00L C009 Sn01 118.93(11) . . ?
C00C C00A H00A 107.6 . . ?
C00C C00A C00U 110.78(13) . . ?
C00C C00A C00V 111.65(13) . . ?
C00U C00A H00A 107.6 . . ?
C00U C00A C00V 111.43(13) . . ?
C00V C00A H00A 107.6 . . ?
N004 C00B H00B 110.8 . . ?
N004 C00B H00C 110.8 . . ?
N004 C00B C00D 104.69(11) . . ?
H00B C00B H00C 108.9 . . ?
C00D C00B H00B 110.8 . . ?
C00D C00B H00C 110.8 . . ?
C008 C00C C00A 122.53(13) . . ?
C00T C00C C008 118.79(14) . . ?
C00T C00C C00A 118.68(14) . . ?
N003 C00D C00B 104.03(12) . . ?
N003 C00D H00D 111.0 . . ?
N003 C00D H00E 111.0 . . ?
C00B C00D H00D 111.0 . . ?
C00B C00D H00E 111.0 . . ?
H00D C00D H00E 109.0 . . ?
C008 C00E C00O 123.01(13) . . ?
C00N C00E C008 118.33(14) . . ?
C00N C00E C00O 118.65(13) . . ?
C00J C00F N004 120.77(12) . . ?
C00J C00F C00K 120.41(13) . . ?
C00K C00F N004 118.82(13) . . ?
C00R C00G Sn01 121.65(12) . . ?
C016 C00G Sn01 119.71(12) . . ?
C016 C00G C00R 118.59(15) . . ?
C009 C00H H00H 119.6 . . ?
C018 C00H C009 120.85(15) . . ?
C018 C00H H00H 119.6 . . ?
O005 C00I C006 178.69(17) . . ?
C00F C00J C00M 122.71(13) . . ?
C012 C00J C00F 118.54(13) . . ?
C012 C00J C00M 118.75(13) . . ?
C00F C00K C00S 121.90(13) . . ?
C010 C00K C00F 118.73(13) . . ?
C010 C00K C00S 119.34(13) . . ?
C009 C00L H00L 119.4 . . ?
C00Q C00L C009 121.12(15) . . ?
C00Q C00L H00L 119.4 . . ?
C00J C00M H00M 107.9 . . ?
C00J C00M C013 110.66(12) . . ?
C00J C00M C017 111.13(13) . . ?
C013 C00M H00M 107.9 . . ?
C013 C00M C017 111.12(13) . . ?
C017 C00M H00M 107.9 . . ?
C00E C00N H00N 119.2 . . ?
C00Z C00N C00E 121.60(15) . . ?
C00Z C00N H00N 119.2 . . ?
C00E C00O H00O 108.2 . . ?
C00E C00O C00W 110.48(13) . . ?
C00E C00O C015 111.82(13) . . ?
C00W C00O H00O 108.2 . . ?
C015 C00O H00O 108.2 . . ?
C015 C00O C00W 109.86(13) . . ?
H00F C00P H00G 109.5 . . ?
H00F C00P H00I 109.5 . . ?
H00G C00P H00I 109.5 . . ?
C00S C00P H00F 109.5 . . ?
C00S C00P H00G 109.5 . . ?
C00S C00P H00I 109.5 . . ?
C00L C00Q H00Q 120.0 . . ?
C00L C00Q C00Y 120.00(15) . . ?
C00Y C00Q H00Q 120.0 . . ?
C00G C00R H00R 119.8 . . ?
C01B C00R C00G 120.46(17) . . ?
C01B C00R H00R 119.8 . . ?
C00K C00S C00P 109.82(13) . . ?
C00K C00S H00S 108.0 . . ?
C00K C00S C019 111.94(12) . . ?
C00P C00S H00S 108.0 . . ?
C019 C00S C00P 110.91(12) . . ?
C019 C00S H00S 108.0 . . ?
C00C C00T H00T 119.3 . . ?
C00Z C00T C00C 121.33(15) . . ?
C00Z C00T H00T 119.3 . . ?
C00A C00U H00J 109.5 . . ?
C00A C00U H00K 109.5 . . ?
C00A C00U H00P 109.5 . . ?
H00J C00U H00K 109.5 . . ?
H00J C00U H00P 109.5 . . ?
H00K C00U H00P 109.5 . . ?
C00A C00V H00U 109.5 . . ?
C00A C00V H00V 109.5 . . ?
C00A C00V H00W 109.5 . . ?
H00U C00V H00V 109.5 . . ?
H00U C00V H00W 109.5 . . ?
H00V C00V H00W 109.5 . . ?
C00O C00W H00X 109.5 . . ?
C00O C00W H00Y 109.5 . . ?
C00O C00W H 109.5 . . ?
H00X C00W H00Y 109.5 . . ?
H00X C00W H 109.5 . . ?
H00Y C00W H 109.5 . . ?
C010 C00X H00Z 120.2 . . ?
C012 C00X H00Z 120.2 . . ?
C012 C00X C010 119.63(15) . . ?
C00Q C00Y H00 120.2 . . ?
C018 C00Y C00Q 119.69(16) . . ?
C018 C00Y H00 120.2 . . ?
C00N C00Z H1 120.3 . . ?
C00T C00Z C00N 119.49(14) . . ?
C00T C00Z H1 120.3 . . ?
C00K C010 H010 119.4 . . ?
C00X C010 C00K 121.26(14) . . ?
C00X C010 H010 119.4 . . ?
C007 C011 H011 119.9 . . ?
C01A C011 C007 120.19(16) . . ?
C01A C011 H011 119.9 . . ?
C00J C012 H012 119.3 . . ?
C00X C012 C00J 121.43(14) . . ?
C00X C012 H012 119.3 . . ?
C00M C013 H01A 109.5 . . ?
C00M C013 H01B 109.5 . . ?
C00M C013 H01C 109.5 . . ?
H01A C013 H01B 109.5 . . ?
H01A C013 H01C 109.5 . . ?
H01B C013 H01C 109.5 . . ?
C007 C014 H014 119.5 . . ?
C01F C014 C007 121.04(16) . . ?
C01F C014 H014 119.5 . . ?
C00O C015 H01D 109.5 . . ?
C00O C015 H01E 109.5 . . ?
C00O C015 H01F 109.5 . . ?
H01D C015 H01E 109.5 . . ?
H01D C015 H01F 109.5 . . ?
H01E C015 H01F 109.5 . . ?
C00G C016 H016 119.6 . . ?
C01E C016 C00G 120.87(17) . . ?
C01E C016 H016 119.6 . . ?
C00M C017 H01G 109.5 . . ?
C00M C017 H01H 109.5 . . ?
C00M C017 H01I 109.5 . . ?
H01G C017 H01H 109.5 . . ?
H01G C017 H01I 109.5 . . ?
H01H C017 H01I 109.5 . . ?
C00H C018 H018 119.9 . . ?
C00Y C018 C00H 120.25(15) . . ?
C00Y C018 H018 119.9 . . ?
C00S C019 H01J 109.5 . . ?
C00S C019 H01K 109.5 . . ?
C00S C019 H01L 109.5 . . ?
H01J C019 H01K 109.5 . . ?
H01J C019 H01L 109.5 . . ?
H01K C019 H01L 109.5 . . ?
C011 C01A H01M 119.7 . . ?
C01C C01A C011 120.55(17) . . ?
C01C C01A H01M 119.7 . . ?
C00R C01B H01N 119.9 . . ?
C01D C01B C00R 120.14(17) . . ?
C01D C01B H01N 119.9 . . ?
C01A C01C H01O 120.1 . . ?
C01A C01C C01F 119.74(16) . . ?
C01F C01C H01O 120.1 . . ?
C01B C01D H01P 120.0 . . ?
C01E C01D C01B 119.99(16) . . ?
C01E C01D H01P 120.0 . . ?
C016 C01E H01Q 120.0 . . ?
C01D C01E C016 119.96(18) . . ?
C01D C01E H01Q 120.0 . . ?
C014 C01F H01R 120.0 . . ?
C01C C01F C014 120.02(17) . . ?
C01C C01F H01R 120.0 . . ?

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
Sn01 C007 C011 C01A 172.51(14) . . . . ?
Sn01 C007 C014 C01F -172.85(14) . . . . ?
Sn01 C009 C00H C018 172.39(12) . . . . ?
Sn01 C009 C00L C00Q -173.26(12) . . . . ?
Sn01 C00G C00R C01B -177.03(13) . . . . ?
Sn01 C00G C016 C01E 177.14(13) . . . . ?
P002 N003 C008 C00C -98.37(15) . . . . ?
P002 N003 C008 C00E 80.66(15) . . . . ?
P002 N003 C00D C00B -35.69(13) . . . . ?
P002 N004 C00B C00D -23.39(14) . . . . ?
P002 N004 C00F C00J -65.43(16) . . . . ?
P002 N004 C00F C00K 114.60(13) . . . . ?
N003 P002 N004 C00B 3.15(10) . . . . ?
N003 P002 N004 C00F 160.54(11) . . . . ?
N003 P002 C006 Sn01 -130.64(7) . . . . ?
N003 P002 C006 C00I 54.11(15) . . . . ?
N003 C008 C00C C00A -0.6(2) . . . . ?
N003 C008 C00C C00T 179.42(14) . . . . ?
N003 C008 C00E C00N -176.74(14) . . . . ?
N003 C008 C00E C00O 2.1(2) . . . . ?
N004 P002 N003 C008 -175.27(11) . . . . ?
N004 P002 N003 C00D 19.93(10) . . . . ?
N004 P002 C006 Sn01 134.65(8) . . . . ?
N004 P002 C006 C00I -40.59(15) . . . . ?
N004 C00B C00D N003 34.76(14) . . . . ?
N004 C00F C00J C00M -1.7(2) . . . . ?
N004 C00F C00J C012 179.07(13) . . . . ?
N004 C00F C00K C00S -1.6(2) . . . . ?
N004 C00F C00K C010 -179.71(13) . . . . ?
C006 P002 N003 C008 80.22(12) . . . . ?
C006 P002 N003 C00D -84.59(11) . . . . ?
C006 P002 N004 C00B 111.92(11) . . . . ?
C006 P002 N004 C00F -90.69(12) . . . . ?
C007 C011 C01A C01C 0.2(3) . . . . ?
C007 C014 C01F C01C 0.3(3) . . . . ?
C008 N003 C00D C00B 159.49(12) . . . . ?
C008 C00C C00T C00Z -2.8(2) . . . . ?
C008 C00E C00N C00Z -2.7(2) . . . . ?
C008 C00E C00O C00W -105.73(16) . . . . ?
C008 C00E C00O C015 131.58(15) . . . . ?
C009 C00H C018 C00Y 0.6(2) . . . . ?
C009 C00L C00Q C00Y 0.6(2) . . . . ?
C00A C00C C00T C00Z 177.14(15) . . . . ?
C00B N004 C00F C00J 91.12(16) . . . . ?
C00B N004 C00F C00K -88.85(16) . . . . ?
C00C C008 C00E C00N 2.3(2) . . . . ?
C00C C008 C00E C00O -178.87(14) . . . . ?
C00C C00T C00Z C00N 2.5(3) . . . . ?
C00D N003 C008 C00C 65.07(19) . . . . ?
C00D N003 C008 C00E -115.91(15) . . . . ?
C00E C008 C00C C00A -179.57(14) . . . . ?
C00E C008 C00C C00T 0.4(2) . . . . ?
C00E C00N C00Z C00T 0.4(3) . . . . ?
C00F N004 C00B C00D 178.52(12) . . . . ?
C00F C00J C00M C013 -118.58(15) . . . . ?
C00F C00J C00M C017 117.46(16) . . . . ?
C00F C00J C012 C00X 0.7(2) . . . . ?
C00F C00K C00S C00P -113.82(15) . . . . ?
C00F C00K C00S C019 122.53(15) . . . . ?
C00F C00K C010 C00X 0.6(2) . . . . ?
C00G C00R C01B C01D 0.2(3) . . . . ?
C00G C016 C01E C01D -0.3(3) . . . . ?
C00H C009 C00L C00Q -0.1(2) . . . . ?
C00J C00F C00K C00S 178.46(13) . . . . ?
C00J C00F C00K C010 0.3(2) . . . . ?
C00K C00F C00J C00M 178.26(13) . . . . ?
C00K C00F C00J C012 -1.0(2) . . . . ?
C00L C009 C00H C018 -0.5(2) . . . . ?
C00L C00Q C00Y C018 -0.5(2) . . . . ?
C00M C00J C012 C00X -178.55(14) . . . . ?
C00N C00E C00O C00W 73.11(18) . . . . ?
C00N C00E C00O C015 -49.59(19) . . . . ?
C00O C00E C00N C00Z 178.39(15) . . . . ?
C00Q C00Y C018 C00H -0.1(2) . . . . ?
C00R C00G C016 C01E -0.3(2) . . . . ?
C00R C01B C01D C01E -0.7(3) . . . . ?
C00S C00K C010 C00X -177.58(14) . . . . ?
C00U C00A C00C C008 -107.60(17) . . . . ?
C00U C00A C00C C00T 72.42(18) . . . . ?
C00V C00A C00C C008 127.57(16) . . . . ?
C00V C00A C00C C00T -52.4(2) . . . . ?
C010 C00K C00S C00P 64.31(17) . . . . ?
C010 C00K C00S C019 -59.34(19) . . . . ?
C010 C00X C012 C00J 0.2(2) . . . . ?
C011 C007 C014 C01F 0.2(3) . . . . ?
C011 C01A C01C C01F 0.3(3) . . . . ?
C012 C00J C00M C013 60.63(18) . . . . ?
C012 C00J C00M C017 -63.33(18) . . . . ?
C012 C00X C010 C00K -0.9(2) . . . . ?
C014 C007 C011 C01A -0.4(3) . . . . ?
C016 C00G C00R C01B 0.3(2) . . . . ?
C01A C01C C01F C014 -0.5(3) . . . . ?
C01B C01D C01E C016 0.8(3) . . . . ?

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

data_3
_database_code_depnum_ccdc_archive 'CCDC 2178247'
loop_
_audit_author_name
_audit_author_address
'Rui Wei'
;southern university of science and thehnology
China
;
_audit_update_record             
;
2022-06-10 deposited with the CCDC.	2024-08-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H62 N3 P Sn'
_chemical_formula_sum            'C54 H62 N3 P Sn'
_chemical_formula_weight         902.72
_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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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                   20.5741(4)
_cell_length_b                   18.2905(4)
_cell_length_c                   12.3909(3)
_cell_angle_alpha                90
_cell_angle_beta                 90.5410(10)
_cell_angle_gamma                90
_cell_volume                     4662.62(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9864
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      68.571
_cell_measurement_theta_min      4.31
_shelx_estimated_absorpt_T_max   0.486
_shelx_estimated_absorpt_T_min   0.120
_exptl_absorpt_coefficient_mu    4.967
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1489 before and 0.0551 after correction.
The Ratio of minimum to maximum transmission is 0.8667.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.74
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0526
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            73801
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.737
_diffrn_reflns_theta_min         2.147
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.11
_diffrn_source_power             0.0555
_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                7667
_reflns_number_total             8553
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.377
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         8553
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0226
_refine_ls_restrained_S_all      1.036
_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)+(0.0183P)²+2.9334P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0509
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Ternary CH refined with riding coordinates:
 C00L(H00L), C00S(H00S), C011(H011), C017(H017)
1.b Secondary CH2 refined with riding coordinates:
 C00I(H00A,H00B), C00K(H00C,H00D)
1.c Aromatic/amide H refined with riding coordinates:
 C00H(H00H), C00M(H00M), C00O(H00O), C00P(H00P), C00R(H00R), C00T(H00T),
 C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z),
 C010(H010), C012(H012), C014(H014), C015(H015), C016(H016), C018(H018),
 C01A(H01G), C01C(H01K), C01D(H01L), C01F(H01P), C01H(H01T), C01I(H01U)
1.d Idealised Me refined as rotating group:
 C013(H01A,H01B,H01C), C019(H01D,H01E,H01F), C01B(H01H,H01I,H01J), C01E(H01M,
 H01N,H01O), C01G(H01Q,H01R,H01S), C01J(H01V,H01W,H01X), C01K(H01Y,H,HA),
 C01L(H01Z,HB,HC), C01M(H01,HD,HE), C01N(H1,HF,HG)
;
_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
Sn01 Sn 0.80756(2) 0.51649(2) 0.16777(2) 0.01236(4) Uani 1 1 d . . . . .
P002 P 0.73126(2) 0.41711(2) 0.35723(3) 0.01124(9) Uani 1 1 d . . . . .
N003 N 0.65567(7) 0.43177(8) 0.41120(11) 0.0136(3) Uani 1 1 d . . . . .
N004 N 0.76094(7) 0.39537(8) 0.48195(11) 0.0127(3) Uani 1 1 d . . . . .
N005 N 0.74986(7) 0.62191(9) 0.43715(12) 0.0177(3) Uani 1 1 d . . . . .
C006 C 0.76033(8) 0.50978(10) 0.32060(14) 0.0128(3) Uani 1 1 d . . . . .
C007 C 0.85302(8) 0.61958(10) 0.14006(14) 0.0158(4) Uani 1 1 d . . . . .
C008 C 0.73686(8) 0.49752(10) 0.04359(15) 0.0156(4) Uani 1 1 d . . . . .
C009 C 0.75205(8) 0.56943(10) 0.37767(14) 0.0137(4) Uani 1 1 d . . . . .
C00A C 0.88833(8) 0.44316(10) 0.16211(15) 0.0158(4) Uani 1 1 d . . . . .
C00B C 0.59888(8) 0.42322(10) 0.34379(14) 0.0149(4) Uani 1 1 d . . . . .
C00C C 0.56464(8) 0.48650(11) 0.31146(15) 0.0175(4) Uani 1 1 d . . . . .
C00D C 0.71171(9) 0.74352(11) 0.38648(15) 0.0204(4) Uani 1 1 d . . . . .
C00E C 0.82602(8) 0.37064(10) 0.50491(14) 0.0137(4) Uani 1 1 d . . . . .
C00F C 0.70786(9) 0.68234(10) 0.45412(15) 0.0176(4) Uani 1 1 d . . . . .
C00G C 0.57813(8) 0.35317(11) 0.31030(15) 0.0179(4) Uani 1 1 d . . . . .
C00H C 0.93187(9) 0.38975(11) 0.58480(15) 0.0201(4) Uani 1 1 d . . . . .
H00H H 0.962633 0.420748 0.619575 0.024 Uiso 1 1 calc R U . . .
C00I C 0.65056(8) 0.41352(10) 0.52638(14) 0.0152(4) Uani 1 1 d . . . . .
H00A H 0.633305 0.363419 0.535802 0.018 Uiso 1 1 calc R U . . .
H00B H 0.621496 0.448363 0.563482 0.018 Uiso 1 1 calc R U . . .
C00J C 0.84250(8) 0.29752(10) 0.48161(15) 0.0171(4) Uani 1 1 d . . . . .
C00K C 0.71951(8) 0.41910(11) 0.57093(14) 0.0158(4) Uani 1 1 d . . . . .
H00C H 0.729743 0.470021 0.592209 0.019 Uiso 1 1 calc R U . . .
H00D H 0.725373 0.386919 0.634516 0.019 Uiso 1 1 calc R U . . .
C00L C 0.61147(9) 0.28323(10) 0.34703(16) 0.0197(4) Uani 1 1 d . . . . .
H00L H 0.650059 0.297448 0.391980 0.024 Uiso 1 1 calc R U . . .
C00M C 0.82723(9) 0.67160(11) 0.06952(16) 0.0211(4) Uani 1 1 d . . . . .
H00M H 0.787064 0.662223 0.033699 0.025 Uiso 1 1 calc R U . . .
C00N C 0.87163(8) 0.41809(10) 0.55330(14) 0.0157(4) Uani 1 1 d . . . . .
C00O C 0.52406(9) 0.34819(12) 0.24142(16) 0.0242(4) Uani 1 1 d . . . . .
H00O H 0.509617 0.301469 0.217822 0.029 Uiso 1 1 calc R U . . .
C00P C 0.91280(9) 0.63413(11) 0.19008(15) 0.0206(4) Uani 1 1 d . . . . .
H00P H 0.931451 0.598986 0.237587 0.025 Uiso 1 1 calc R U . . .
C00Q C 0.66798(9) 0.68115(11) 0.54476(15) 0.0203(4) Uani 1 1 d . . . . .
C00R C 0.75431(9) 0.50614(11) -0.06419(15) 0.0209(4) Uani 1 1 d . . . . .
H00R H 0.797000 0.521841 -0.081341 0.025 Uiso 1 1 calc R U . . .
C00S C 0.58284(8) 0.56234(10) 0.35048(15) 0.0182(4) Uani 1 1 d . . . . .
H00S H 0.623247 0.557947 0.395508 0.022 Uiso 1 1 calc R U . . .
C00T C 0.94750(9) 0.31766(11) 0.56634(16) 0.0234(4) Uani 1 1 d . . . . .
H00T H 0.988337 0.299017 0.589843 0.028 Uiso 1 1 calc R U . . .
C00U C 0.94514(9) 0.69920(12) 0.17116(17) 0.0257(5) Uani 1 1 d . . . . .
H00U H 0.985687 0.708575 0.205775 0.031 Uiso 1 1 calc R U . . .
C00V C 0.51134(9) 0.47810(12) 0.24200(16) 0.0239(4) Uani 1 1 d . . . . .
H00V H 0.488333 0.520244 0.218215 0.029 Uiso 1 1 calc R U . . .
C00W C 0.67234(10) 0.80323(11) 0.41011(17) 0.0246(4) Uani 1 1 d . . . . .
H00W H 0.673595 0.845143 0.364901 0.030 Uiso 1 1 calc R U . . .
C00X C 0.85960(10) 0.73709(12) 0.05094(17) 0.0254(4) Uani 1 1 d . . . . .
H00X H 0.841329 0.772442 0.003380 0.030 Uiso 1 1 calc R U . . .
C00Y C 0.90529(10) 0.39935(12) 0.24884(16) 0.0241(4) Uani 1 1 d . . . . .
H00Y H 0.877494 0.397295 0.309548 0.029 Uiso 1 1 calc R U . . .
C00Z C 1.00297(9) 0.36082(12) 0.16196(18) 0.0280(5) Uani 1 1 d . . . . .
H00Z H 1.042222 0.333461 0.162564 0.034 Uiso 1 1 calc R U . . .
C010 C 0.71007(10) 0.49204(12) -0.14633(16) 0.0272(5) Uani 1 1 d . . . . .
H010 H 0.722701 0.497636 -0.219410 0.033 Uiso 1 1 calc R U . . .
C011 C 0.85961(8) 0.49945(10) 0.56781(15) 0.0180(4) Uani 1 1 d . . . . .
H011 H 0.814737 0.510292 0.540546 0.022 Uiso 1 1 calc R U . . .
C012 C 0.49128(9) 0.41003(12) 0.20708(17) 0.0272(5) Uani 1 1 d . . . . .
H012 H 0.454998 0.405691 0.159519 0.033 Uiso 1 1 calc R U . . .
C013 C 0.90735(9) 0.54437(11) 0.50073(18) 0.0258(4) Uani 1 1 d . . . . .
H01A H 0.951135 0.539886 0.531850 0.039 Uiso 1 1 calc R U . . .
H01B H 0.894107 0.595836 0.501049 0.039 Uiso 1 1 calc R U . . .
H01C H 0.907350 0.526127 0.426363 0.039 Uiso 1 1 calc R U . . .
C014 C 0.67350(9) 0.47527(11) 0.06624(16) 0.0215(4) Uani 1 1 d . . . . .
H014 H 0.660669 0.469148 0.139127 0.026 Uiso 1 1 calc R U . . .
C015 C 0.62943(10) 0.74201(12) 0.56451(16) 0.0257(4) Uani 1 1 d . . . . .
H015 H 0.601196 0.741893 0.624728 0.031 Uiso 1 1 calc R U . . .
C016 C 0.92979(10) 0.44427(11) 0.07369(17) 0.0251(4) Uani 1 1 d . . . . .
H016 H 0.918983 0.473435 0.012675 0.030 Uiso 1 1 calc R U . . .
C017 C 0.79485(9) 0.24561(11) 0.42717(16) 0.0211(4) Uani 1 1 d . . . . .
H017 H 0.763973 0.275895 0.383250 0.025 Uiso 1 1 calc R U . . .
C018 C 0.63143(10) 0.80276(12) 0.49809(17) 0.0267(5) Uani 1 1 d . . . . .
H018 H 0.604829 0.843957 0.512825 0.032 Uiso 1 1 calc R U . . .
C019 C 0.75576(10) 0.74437(12) 0.29064(17) 0.0291(5) Uani 1 1 d . . . . .
H01D H 0.798746 0.726015 0.311965 0.044 Uiso 1 1 calc R U . . .
H01E H 0.759793 0.794511 0.263660 0.044 Uiso 1 1 calc R U . . .
H01F H 0.737493 0.713123 0.233703 0.044 Uiso 1 1 calc R U . . .
C01A C 0.90371(9) 0.27238(11) 0.51357(16) 0.0224(4) Uani 1 1 d . . . . .
H01G H 0.915566 0.223218 0.498811 0.027 Uiso 1 1 calc R U . . .
C01B C 0.59720(10) 0.61464(12) 0.25712(17) 0.0264(5) Uani 1 1 d . . . . .
H01H H 0.558319 0.619743 0.211453 0.040 Uiso 1 1 calc R U . . .
H01I H 0.632937 0.595046 0.214114 0.040 Uiso 1 1 calc R U . . .
H01J H 0.609535 0.662581 0.286085 0.040 Uiso 1 1 calc R U . . .
C01C C 0.91840(10) 0.75057(12) 0.10184(17) 0.0256(4) Uani 1 1 d . . . . .
H01K H 0.940564 0.795282 0.089204 0.031 Uiso 1 1 calc R U . . .
C01D C 0.98668(10) 0.40332(12) 0.07361(19) 0.0306(5) Uani 1 1 d . . . . .
H01L H 1.014392 0.404549 0.012739 0.037 Uiso 1 1 calc R U . . .
C01E C 0.66675(10) 0.61552(12) 0.61717(16) 0.0259(4) Uani 1 1 d . . . . .
H01M H 0.637596 0.624814 0.677739 0.039 Uiso 1 1 calc R U . . .
H01N H 0.710697 0.605811 0.644795 0.039 Uiso 1 1 calc R U . . .
H01O H 0.651148 0.573019 0.576320 0.039 Uiso 1 1 calc R U . . .
C01F C 0.64785(10) 0.46994(12) -0.12278(18) 0.0298(5) Uani 1 1 d . . . . .
H01P H 0.617776 0.460138 -0.179608 0.036 Uiso 1 1 calc R U . . .
C01G C 0.86313(10) 0.52248(13) 0.68631(17) 0.0301(5) Uani 1 1 d . . . . .
H01Q H 0.833337 0.492289 0.728528 0.045 Uiso 1 1 calc R U . . .
H01R H 0.850691 0.574008 0.692753 0.045 Uiso 1 1 calc R U . . .
H01S H 0.907604 0.515918 0.713606 0.045 Uiso 1 1 calc R U . . .
C01H C 0.96202(10) 0.35833(13) 0.24916(18) 0.0310(5) Uani 1 1 d . . . . .
H01T H 0.972615 0.328501 0.309569 0.037 Uiso 1 1 calc R U . . .
C01I C 0.62899(10) 0.46197(12) -0.01650(18) 0.0289(5) Uani 1 1 d . . . . .
H01U H 0.585845 0.447473 -0.000197 0.035 Uiso 1 1 calc R U . . .
C01J C 0.63613(11) 0.23804(13) 0.25212(19) 0.0339(5) Uani 1 1 d . . . . .
H01V H 0.660561 0.195823 0.279442 0.051 Uiso 1 1 calc R U . . .
H01W H 0.664545 0.268304 0.207465 0.051 Uiso 1 1 calc R U . . .
H01X H 0.599104 0.221027 0.208589 0.051 Uiso 1 1 calc R U . . .
C01K C 0.56667(10) 0.23728(12) 0.41806(18) 0.0281(5) Uani 1 1 d . . . . .
H01Y H 0.529362 0.220380 0.375085 0.042 Uiso 1 1 calc R U . . .
H H 0.551306 0.267080 0.478392 0.042 Uiso 1 1 calc R U . . .
HA H 0.590670 0.194975 0.446138 0.042 Uiso 1 1 calc R U . . .
C01L C 0.52943(10) 0.59462(12) 0.42170(19) 0.0294(5) Uani 1 1 d . . . . .
H01Z H 0.542717 0.643208 0.446911 0.044 Uiso 1 1 calc R U . . .
HB H 0.522485 0.562602 0.483944 0.044 Uiso 1 1 calc R U . . .
HC H 0.488981 0.598679 0.379735 0.044 Uiso 1 1 calc R U . . .
C01M C 0.75518(11) 0.20577(13) 0.5121(2) 0.0380(6) Uani 1 1 d . . . . .
H01 H 0.784254 0.176385 0.557816 0.057 Uiso 1 1 calc R U . . .
HD H 0.723423 0.173728 0.476462 0.057 Uiso 1 1 calc R U . . .
HE H 0.732360 0.241564 0.556812 0.057 Uiso 1 1 calc R U . . .
C01N C 0.82702(11) 0.19118(14) 0.3506(2) 0.0397(6) Uani 1 1 d . . . . .
H1 H 0.853849 0.217757 0.298770 0.059 Uiso 1 1 calc R U . . .
HF H 0.793405 0.163497 0.311751 0.059 Uiso 1 1 calc R U . . .
HG H 0.854424 0.157420 0.392305 0.059 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
Sn01 C006 2.1401(16) . ?
Sn01 C007 2.1340(18) . ?
Sn01 C008 2.1358(18) . ?
Sn01 C00A 2.1372(18) . ?
P002 N003 1.7197(14) . ?
P002 N004 1.7033(14) . ?
P002 C006 1.8553(18) . ?
N003 C00B 1.438(2) . ?
N003 C00I 1.470(2) . ?
N004 C00E 1.439(2) . ?
N004 C00K 1.466(2) . ?
N005 C009 1.211(2) . ?
N005 C00F 1.420(2) . ?
C006 C009 1.312(3) . ?
C007 C00M 1.394(3) . ?
C007 C00P 1.398(3) . ?
C008 C00R 1.395(3) . ?
C008 C014 1.397(3) . ?
C00A C00Y 1.383(3) . ?
C00A C016 1.395(3) . ?
C00B C00C 1.411(3) . ?
C00B C00G 1.412(3) . ?
C00C C00S 1.515(3) . ?
C00C C00V 1.396(3) . ?
C00D C00F 1.401(3) . ?
C00D C00W 1.392(3) . ?
C00D C019 1.501(3) . ?
C00E C00J 1.410(3) . ?
C00E C00N 1.408(3) . ?
C00F C00Q 1.397(3) . ?
C00G C00L 1.519(3) . ?
C00G C00O 1.399(3) . ?
C00H H00H 0.9500 . ?
C00H C00N 1.396(2) . ?
C00H C00T 1.377(3) . ?
C00I H00A 0.9900 . ?
C00I H00B 0.9900 . ?
C00I C00K 1.521(2) . ?
C00J C017 1.518(3) . ?
C00J C01A 1.395(3) . ?
C00K H00C 0.9900 . ?
C00K H00D 0.9900 . ?
C00L H00L 1.0000 . ?
C00L C01J 1.528(3) . ?
C00L C01K 1.532(3) . ?
C00M H00M 0.9500 . ?
C00M C00X 1.391(3) . ?
C00N C011 1.520(3) . ?
C00O H00O 0.9500 . ?
C00O C012 1.382(3) . ?
C00P H00P 0.9500 . ?
C00P C00U 1.385(3) . ?
C00Q C015 1.390(3) . ?
C00Q C01E 1.499(3) . ?
C00R H00R 0.9500 . ?
C00R C010 1.383(3) . ?
C00S H00S 1.0000 . ?
C00S C01B 1.532(3) . ?
C00S C01L 1.534(3) . ?
C00T H00T 0.9500 . ?
C00T C01A 1.383(3) . ?
C00U H00U 0.9500 . ?
C00U C01C 1.384(3) . ?
C00V H00V 0.9500 . ?
C00V C012 1.380(3) . ?
C00W H00W 0.9500 . ?
C00W C018 1.384(3) . ?
C00X H00X 0.9500 . ?
C00X C01C 1.381(3) . ?
C00Y H00Y 0.9500 . ?
C00Y C01H 1.387(3) . ?
C00Z H00Z 0.9500 . ?
C00Z C01D 1.381(3) . ?
C00Z C01H 1.377(3) . ?
C010 H010 0.9500 . ?
C010 C01F 1.376(3) . ?
C011 H011 1.0000 . ?
C011 C013 1.532(3) . ?
C011 C01G 1.529(3) . ?
C012 H012 0.9500 . ?
C013 H01A 0.9800 . ?
C013 H01B 0.9800 . ?
C013 H01C 0.9800 . ?
C014 H014 0.9500 . ?
C014 C01I 1.390(3) . ?
C015 H015 0.9500 . ?
C015 C018 1.384(3) . ?
C016 H016 0.9500 . ?
C016 C01D 1.390(3) . ?
C017 H017 1.0000 . ?
C017 C01M 1.524(3) . ?
C017 C01N 1.530(3) . ?
C018 H018 0.9500 . ?
C019 H01D 0.9800 . ?
C019 H01E 0.9800 . ?
C019 H01F 0.9800 . ?
C01A H01G 0.9500 . ?
C01B H01H 0.9800 . ?
C01B H01I 0.9800 . ?
C01B H01J 0.9800 . ?
C01C H01K 0.9500 . ?
C01D H01L 0.9500 . ?
C01E H01M 0.9800 . ?
C01E H01N 0.9800 . ?
C01E H01O 0.9800 . ?
C01F H01P 0.9500 . ?
C01F C01I 1.384(3) . ?
C01G H01Q 0.9800 . ?
C01G H01R 0.9800 . ?
C01G H01S 0.9800 . ?
C01H H01T 0.9500 . ?
C01I H01U 0.9500 . ?
C01J H01V 0.9800 . ?
C01J H01W 0.9800 . ?
C01J H01X 0.9800 . ?
C01K H01Y 0.9800 . ?
C01K H 0.9800 . ?
C01K HA 0.9800 . ?
C01L H01Z 0.9800 . ?
C01L HB 0.9800 . ?
C01L HC 0.9800 . ?
C01M H01 0.9800 . ?
C01M HD 0.9800 . ?
C01M HE 0.9800 . ?
C01N H1 0.9800 . ?
C01N HF 0.9800 . ?
C01N HG 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
C007 Sn01 C006 113.36(7) . . ?
C007 Sn01 C008 108.92(7) . . ?
C007 Sn01 C00A 101.95(7) . . ?
C008 Sn01 C006 108.44(7) . . ?
C008 Sn01 C00A 113.51(7) . . ?
C00A Sn01 C006 110.65(7) . . ?
N003 P002 C006 104.33(7) . . ?
N004 P002 N003 90.08(7) . . ?
N004 P002 C006 108.75(8) . . ?
C00B N003 P002 119.33(11) . . ?
C00B N003 C00I 118.28(13) . . ?
C00I N003 P002 114.53(11) . . ?
C00E N004 P002 125.28(11) . . ?
C00E N004 C00K 119.41(14) . . ?
C00K N004 P002 114.03(11) . . ?
C009 N005 C00F 137.16(16) . . ?
P002 C006 Sn01 114.77(9) . . ?
C009 C006 Sn01 119.44(13) . . ?
C009 C006 P002 125.73(13) . . ?
C00M C007 Sn01 122.64(13) . . ?
C00M C007 C00P 118.46(17) . . ?
C00P C007 Sn01 118.82(14) . . ?
C00R C008 Sn01 119.45(13) . . ?
C00R C008 C014 118.32(17) . . ?
C014 C008 Sn01 122.22(14) . . ?
N005 C009 C006 173.02(18) . . ?
C00Y C00A Sn01 121.93(13) . . ?
C00Y C00A C016 117.85(17) . . ?
C016 C00A Sn01 119.87(14) . . ?
C00C C00B N003 118.45(16) . . ?
C00C C00B C00G 120.82(16) . . ?
C00G C00B N003 120.74(16) . . ?
C00B C00C C00S 122.63(16) . . ?
C00V C00C C00B 118.16(18) . . ?
C00V C00C C00S 119.20(17) . . ?
C00F C00D C019 121.31(17) . . ?
C00W C00D C00F 117.68(18) . . ?
C00W C00D C019 121.01(18) . . ?
C00J C00E N004 118.86(16) . . ?
C00N C00E N004 120.36(16) . . ?
C00N C00E C00J 120.74(16) . . ?
C00D C00F N005 119.70(17) . . ?
C00Q C00F N005 118.02(17) . . ?
C00Q C00F C00D 122.02(17) . . ?
C00B C00G C00L 122.81(16) . . ?
C00O C00G C00B 118.36(18) . . ?
C00O C00G C00L 118.83(17) . . ?
C00N C00H H00H 119.4 . . ?
C00T C00H H00H 119.4 . . ?
C00T C00H C00N 121.15(18) . . ?
N003 C00I H00A 110.7 . . ?
N003 C00I H00B 110.7 . . ?
N003 C00I C00K 105.19(13) . . ?
H00A C00I H00B 108.8 . . ?
C00K C00I H00A 110.7 . . ?
C00K C00I H00B 110.7 . . ?
C00E C00J C017 121.91(16) . . ?
C01A C00J C00E 118.21(17) . . ?
C01A C00J C017 119.84(17) . . ?
N004 C00K C00I 104.73(14) . . ?
N004 C00K H00C 110.8 . . ?
N004 C00K H00D 110.8 . . ?
C00I C00K H00C 110.8 . . ?
C00I C00K H00D 110.8 . . ?
H00C C00K H00D 108.9 . . ?
C00G C00L H00L 107.6 . . ?
C00G C00L C01J 112.16(17) . . ?
C00G C00L C01K 111.21(15) . . ?
C01J C00L H00L 107.6 . . ?
C01J C00L C01K 110.58(17) . . ?
C01K C00L H00L 107.6 . . ?
C007 C00M H00M 119.6 . . ?
C00X C00M C007 120.78(17) . . ?
C00X C00M H00M 119.6 . . ?
C00E C00N C011 123.06(16) . . ?
C00H C00N C00E 118.47(17) . . ?
C00H C00N C011 118.40(16) . . ?
C00G C00O H00O 119.4 . . ?
C012 C00O C00G 121.17(19) . . ?
C012 C00O H00O 119.4 . . ?
C007 C00P H00P 119.6 . . ?
C00U C00P C007 120.71(18) . . ?
C00U C00P H00P 119.6 . . ?
C00F C00Q C01E 120.45(17) . . ?
C015 C00Q C00F 118.01(18) . . ?
C015 C00Q C01E 121.54(18) . . ?
C008 C00R H00R 119.7 . . ?
C010 C00R C008 120.64(18) . . ?
C010 C00R H00R 119.7 . . ?
C00C C00S H00S 107.8 . . ?
C00C C00S C01B 112.31(16) . . ?
C00C C00S C01L 111.09(15) . . ?
C01B C00S H00S 107.8 . . ?
C01B C00S C01L 109.77(16) . . ?
C01L C00S H00S 107.8 . . ?
C00H C00T H00T 120.0 . . ?
C00H C00T C01A 119.98(17) . . ?
C01A C00T H00T 120.0 . . ?
C00P C00U H00U 120.0 . . ?
C01C C00U C00P 120.00(18) . . ?
C01C C00U H00U 120.0 . . ?
C00C C00V H00V 119.2 . . ?
C012 C00V C00C 121.57(19) . . ?
C012 C00V H00V 119.2 . . ?
C00D C00W H00W 119.3 . . ?
C018 C00W C00D 121.35(19) . . ?
C018 C00W H00W 119.3 . . ?
C00M C00X H00X 120.1 . . ?
C01C C00X C00M 119.80(19) . . ?
C01C C00X H00X 120.1 . . ?
C00A C00Y H00Y 119.3 . . ?
C00A C00Y C01H 121.45(18) . . ?
C01H C00Y H00Y 119.3 . . ?
C01D C00Z H00Z 120.2 . . ?
C01H C00Z H00Z 120.2 . . ?
C01H C00Z C01D 119.65(19) . . ?
C00R C010 H010 119.8 . . ?
C01F C010 C00R 120.38(19) . . ?
C01F C010 H010 119.8 . . ?
C00N C011 H011 107.8 . . ?
C00N C011 C013 110.81(15) . . ?
C00N C011 C01G 112.17(16) . . ?
C013 C011 H011 107.8 . . ?
C01G C011 H011 107.8 . . ?
C01G C011 C013 110.41(16) . . ?
C00O C012 H012 120.1 . . ?
C00V C012 C00O 119.88(18) . . ?
C00V C012 H012 120.1 . . ?
C011 C013 H01A 109.5 . . ?
C011 C013 H01B 109.5 . . ?
C011 C013 H01C 109.5 . . ?
H01A C013 H01B 109.5 . . ?
H01A C013 H01C 109.5 . . ?
H01B C013 H01C 109.5 . . ?
C008 C014 H014 119.6 . . ?
C01I C014 C008 120.84(19) . . ?
C01I C014 H014 119.6 . . ?
C00Q C015 H015 119.4 . . ?
C018 C015 C00Q 121.22(19) . . ?
C018 C015 H015 119.4 . . ?
C00A C016 H016 119.5 . . ?
C01D C016 C00A 120.93(19) . . ?
C01D C016 H016 119.5 . . ?
C00J C017 H017 107.4 . . ?
C00J C017 C01M 109.87(17) . . ?
C00J C017 C01N 113.64(16) . . ?
C01M C017 H017 107.4 . . ?
C01M C017 C01N 110.79(19) . . ?
C01N C017 H017 107.4 . . ?
C00W C018 C015 119.69(18) . . ?
C00W C018 H018 120.2 . . ?
C015 C018 H018 120.2 . . ?
C00D C019 H01D 109.5 . . ?
C00D C019 H01E 109.5 . . ?
C00D C019 H01F 109.5 . . ?
H01D C019 H01E 109.5 . . ?
H01D C019 H01F 109.5 . . ?
H01E C019 H01F 109.5 . . ?
C00J C01A H01G 119.4 . . ?
C00T C01A C00J 121.27(18) . . ?
C00T C01A H01G 119.4 . . ?
C00S C01B H01H 109.5 . . ?
C00S C01B H01I 109.5 . . ?
C00S C01B H01J 109.5 . . ?
H01H C01B H01I 109.5 . . ?
H01H C01B H01J 109.5 . . ?
H01I C01B H01J 109.5 . . ?
C00U C01C H01K 119.9 . . ?
C00X C01C C00U 120.24(19) . . ?
C00X C01C H01K 119.9 . . ?
C00Z C01D C016 120.05(19) . . ?
C00Z C01D H01L 120.0 . . ?
C016 C01D H01L 120.0 . . ?
C00Q C01E H01M 109.5 . . ?
C00Q C01E H01N 109.5 . . ?
C00Q C01E H01O 109.5 . . ?
H01M C01E H01N 109.5 . . ?
H01M C01E H01O 109.5 . . ?
H01N C01E H01O 109.5 . . ?
C010 C01F H01P 119.9 . . ?
C010 C01F C01I 120.15(19) . . ?
C01I C01F H01P 119.9 . . ?
C011 C01G H01Q 109.5 . . ?
C011 C01G H01R 109.5 . . ?
C011 C01G H01S 109.5 . . ?
H01Q C01G H01R 109.5 . . ?
H01Q C01G H01S 109.5 . . ?
H01R C01G H01S 109.5 . . ?
C00Y C01H H01T 120.0 . . ?
C00Z C01H C00Y 120.0(2) . . ?
C00Z C01H H01T 120.0 . . ?
C014 C01I H01U 120.2 . . ?
C01F C01I C014 119.66(19) . . ?
C01F C01I H01U 120.2 . . ?
C00L C01J H01V 109.5 . . ?
C00L C01J H01W 109.5 . . ?
C00L C01J H01X 109.5 . . ?
H01V C01J H01W 109.5 . . ?
H01V C01J H01X 109.5 . . ?
H01W C01J H01X 109.5 . . ?
C00L C01K H01Y 109.5 . . ?
C00L C01K H 109.5 . . ?
C00L C01K HA 109.5 . . ?
H01Y C01K H 109.5 . . ?
H01Y C01K HA 109.5 . . ?
H C01K HA 109.5 . . ?
C00S C01L H01Z 109.5 . . ?
C00S C01L HB 109.5 . . ?
C00S C01L HC 109.5 . . ?
H01Z C01L HB 109.5 . . ?
H01Z C01L HC 109.5 . . ?
HB C01L HC 109.5 . . ?
C017 C01M H01 109.5 . . ?
C017 C01M HD 109.5 . . ?
C017 C01M HE 109.5 . . ?
H01 C01M HD 109.5 . . ?
H01 C01M HE 109.5 . . ?
HD C01M HE 109.5 . . ?
C017 C01N H1 109.5 . . ?
C017 C01N HF 109.5 . . ?
C017 C01N HG 109.5 . . ?
H1 C01N HF 109.5 . . ?
H1 C01N HG 109.5 . . ?
HF C01N HG 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
Sn01 C007 C00M C00X -177.74(15) . . . . ?
Sn01 C007 C00P C00U 177.59(15) . . . . ?
Sn01 C008 C00R C010 178.01(15) . . . . ?
Sn01 C008 C014 C01I -178.71(15) . . . . ?
Sn01 C00A C00Y C01H -172.40(16) . . . . ?
Sn01 C00A C016 C01D 172.52(16) . . . . ?
P002 N003 C00B C00C -107.86(16) . . . . ?
P002 N003 C00B C00G 71.79(19) . . . . ?
P002 N003 C00I C00K 24.15(18) . . . . ?
P002 N004 C00E C00J -77.20(19) . . . . ?
P002 N004 C00E C00N 105.00(17) . . . . ?
P002 N004 C00K C00I 32.81(17) . . . . ?
N003 P002 N004 C00E 176.14(15) . . . . ?
N003 P002 N004 C00K -16.92(13) . . . . ?
N003 P002 C006 Sn01 -137.75(8) . . . . ?
N003 P002 C006 C009 39.56(17) . . . . ?
N003 C00B C00C C00S -3.9(2) . . . . ?
N003 C00B C00C C00V 177.10(16) . . . . ?
N003 C00B C00G C00L 3.2(3) . . . . ?
N003 C00B C00G C00O -177.58(16) . . . . ?
N003 C00I C00K N004 -33.66(18) . . . . ?
N004 P002 N003 C00B -153.93(14) . . . . ?
N004 P002 N003 C00I -5.30(13) . . . . ?
N004 P002 C006 Sn01 127.18(8) . . . . ?
N004 P002 C006 C009 -55.50(17) . . . . ?
N004 C00E C00J C017 3.6(2) . . . . ?
N004 C00E C00J C01A -174.04(16) . . . . ?
N004 C00E C00N C00H 173.18(15) . . . . ?
N004 C00E C00N C011 -9.9(2) . . . . ?
N005 C00F C00Q C015 176.63(17) . . . . ?
N005 C00F C00Q C01E -4.0(3) . . . . ?
C006 P002 N003 C00B 96.67(14) . . . . ?
C006 P002 N003 C00I -114.70(13) . . . . ?
C006 P002 N004 C00E -78.68(16) . . . . ?
C006 P002 N004 C00K 88.26(13) . . . . ?
C007 C00M C00X C01C 0.8(3) . . . . ?
C007 C00P C00U C01C -0.2(3) . . . . ?
C008 C00R C010 C01F 0.6(3) . . . . ?
C008 C014 C01I C01F 0.8(3) . . . . ?
C009 N005 C00F C00D -80.6(3) . . . . ?
C009 N005 C00F C00Q 105.2(3) . . . . ?
C00A C00Y C01H C00Z 0.2(3) . . . . ?
C00A C016 C01D C00Z -0.1(3) . . . . ?
C00B N003 C00I C00K 173.14(15) . . . . ?
C00B C00C C00S C01B 122.85(18) . . . . ?
C00B C00C C00S C01L -113.77(19) . . . . ?
C00B C00C C00V C012 1.4(3) . . . . ?
C00B C00G C00L C01J -121.88(19) . . . . ?
C00B C00G C00L C01K 113.7(2) . . . . ?
C00B C00G C00O C012 -0.3(3) . . . . ?
C00C C00B C00G C00L -177.14(16) . . . . ?
C00C C00B C00G C00O 2.1(3) . . . . ?
C00C C00V C012 C00O 0.3(3) . . . . ?
C00D C00F C00Q C015 2.6(3) . . . . ?
C00D C00F C00Q C01E -178.08(18) . . . . ?
C00D C00W C018 C015 0.2(3) . . . . ?
C00E N004 C00K C00I -159.41(15) . . . . ?
C00E C00J C017 C01M -90.1(2) . . . . ?
C00E C00J C017 C01N 145.17(19) . . . . ?
C00E C00J C01A C00T -0.3(3) . . . . ?
C00E C00N C011 C013 -115.22(19) . . . . ?
C00E C00N C011 C01G 120.89(18) . . . . ?
C00F C00D C00W C018 0.9(3) . . . . ?
C00F C00Q C015 C018 -1.5(3) . . . . ?
C00G C00B C00C C00S 176.45(16) . . . . ?
C00G C00B C00C C00V -2.6(3) . . . . ?
C00G C00O C012 C00V -0.8(3) . . . . ?
C00H C00N C011 C013 61.7(2) . . . . ?
C00H C00N C011 C01G -62.2(2) . . . . ?
C00H C00T C01A C00J -2.3(3) . . . . ?
C00I N003 C00B C00C 104.67(19) . . . . ?
C00I N003 C00B C00G -75.7(2) . . . . ?
C00J C00E C00N C00H -4.6(3) . . . . ?
C00J C00E C00N C011 172.31(16) . . . . ?
C00K N004 C00E C00J 116.51(18) . . . . ?
C00K N004 C00E C00N -61.3(2) . . . . ?
C00L C00G C00O C012 178.89(18) . . . . ?
C00M C007 C00P C00U 0.9(3) . . . . ?
C00M C00X C01C C00U 0.0(3) . . . . ?
C00N C00E C00J C017 -178.59(16) . . . . ?
C00N C00E C00J C01A 3.7(3) . . . . ?
C00N C00H C00T C01A 1.5(3) . . . . ?
C00O C00G C00L C01J 58.9(2) . . . . ?
C00O C00G C00L C01K -65.5(2) . . . . ?
C00P C007 C00M C00X -1.2(3) . . . . ?
C00P C00U C01C C00X -0.3(3) . . . . ?
C00Q C015 C018 C00W 0.1(3) . . . . ?
C00R C008 C014 C01I 0.1(3) . . . . ?
C00R C010 C01F C01I 0.3(3) . . . . ?
C00S C00C C00V C012 -177.68(18) . . . . ?
C00T C00H C00N C00E 1.9(3) . . . . ?
C00T C00H C00N C011 -175.09(17) . . . . ?
C00V C00C C00S C01B -58.2(2) . . . . ?
C00V C00C C00S C01L 65.2(2) . . . . ?
C00W C00D C00F N005 -176.23(17) . . . . ?
C00W C00D C00F C00Q -2.3(3) . . . . ?
C00Y C00A C016 C01D -0.8(3) . . . . ?
C010 C01F C01I C014 -1.0(3) . . . . ?
C014 C008 C00R C010 -0.8(3) . . . . ?
C016 C00A C00Y C01H 0.8(3) . . . . ?
C017 C00J C01A C00T -177.98(18) . . . . ?
C019 C00D C00F N005 4.9(3) . . . . ?
C019 C00D C00F C00Q 178.83(18) . . . . ?
C019 C00D C00W C018 179.76(19) . . . . ?
C01A C00J C017 C01M 87.5(2) . . . . ?
C01A C00J C017 C01N -37.2(3) . . . . ?
C01D C00Z C01H C00Y -1.1(3) . . . . ?
C01E C00Q C015 C018 179.18(19) . . . . ?
C01H C00Z C01D C016 1.1(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
