# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1909928'
loop_
_audit_author_name
_audit_author_address
'Miguel-Angel Munoz-Hernandez'
;Universidad Autonoma del Estado de Morelos
Mexico
;
_audit_update_record             
;
2019-04-13 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;
_audit_creation_date             2019-02-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C37 H31 P Sn'
_chemical_formula_sum            'C37 H31 P Sn'
_chemical_formula_weight         625.28
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.4027(17)
_cell_length_b                   11.6827(18)
_cell_length_c                   12.1997(19)
_cell_angle_alpha                103.668(3)
_cell_angle_beta                 94.851(2)
_cell_angle_gamma                101.453(2)
_cell_volume                     1532.9(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    0
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      0.000
_cell_measurement_theta_min      0.000
_shelx_estimated_absorpt_T_max   0.832
_shelx_estimated_absorpt_T_min   0.621
_exptl_absorpt_coefficient_mu    0.909
_exptl_absorpt_correction_T_max  0.8321
_exptl_absorpt_correction_T_min  0.6208
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.21
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0313
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26528
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.312
_diffrn_reflns_theta_min         2.178
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7131
_reflns_number_total             7475
_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 v6.02A (Bruker, 2001)'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'SAINT v6.02A (Bruker, 2001)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_refine_diff_density_max         1.062
_refine_diff_density_min         -0.730
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         7475
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0439
_refine_ls_restrained_S_all      1.017
_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)+(0.0438P)²+1.4942P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1016
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C15(H15), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23),
  C24(H24), C25(H25), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31),
 C33(H33), C34(H34), C35(H35), C36(H36), C37(H37)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.22043(7) 0.24838(7) 0.81704(8) 0.05271(19) Uani 1 1 d . . . . .
Sn1 Sn 0.52172(2) 0.15418(2) 0.74491(2) 0.04521(8) Uani 1 1 d . . . . .
C1 C 0.1393(3) 0.3061(3) 0.9332(3) 0.0592(8) Uani 1 1 d . . . . .
C2 C 0.0185(4) 0.3094(3) 0.9205(4) 0.0684(9) Uani 1 1 d . . . . .
H2 H -0.0283 0.2788 0.8473 0.082 Uiso 1 1 calc R . . . .
C3 C -0.0354(5) 0.3571(4) 1.0138(5) 0.0877(14) Uani 1 1 d . . . . .
H3 H -0.1185 0.3592 1.0044 0.105 Uiso 1 1 calc R . . . .
C4 C 0.0318(7) 0.4006(4) 1.1182(5) 0.1004(18) Uani 1 1 d . . . . .
H4 H -0.0048 0.4332 1.1820 0.121 Uiso 1 1 calc R . . . .
C5 C 0.1517(7) 0.3980(5) 1.1331(4) 0.1040(17) Uani 1 1 d . . . . .
H5 H 0.1975 0.4280 1.2068 0.125 Uiso 1 1 calc R . . . .
C6 C 0.2056(5) 0.3519(4) 1.0409(4) 0.0843(12) Uani 1 1 d . . . . .
H6 H 0.2890 0.3514 1.0511 0.101 Uiso 1 1 calc R . . . .
C7 C 0.1188(3) 0.2418(3) 0.6900(3) 0.0565(7) Uani 1 1 d . . . . .
C8 C 0.0257(4) 0.1438(4) 0.6350(4) 0.0785(12) Uani 1 1 d . . . . .
H8 H 0.0088 0.0754 0.6653 0.094 Uiso 1 1 calc R . . . .
C9 C -0.0426(5) 0.1452(5) 0.5366(5) 0.1011(18) Uani 1 1 d . . . . .
H9 H -0.1059 0.0774 0.4994 0.121 Uiso 1 1 calc R . . . .
C10 C -0.0203(5) 0.2423(7) 0.4924(4) 0.1027(18) Uani 1 1 d . . . . .
H10 H -0.0664 0.2414 0.4235 0.123 Uiso 1 1 calc R . . . .
C11 C 0.0685(5) 0.3416(6) 0.5472(5) 0.1063(18) Uani 1 1 d . . . . .
H11 H 0.0817 0.4110 0.5181 0.128 Uiso 1 1 calc R . . . .
C12 C 0.1391(4) 0.3408(4) 0.6450(4) 0.0812(12) Uani 1 1 d . . . . .
H12 H 0.2022 0.4091 0.6816 0.097 Uiso 1 1 calc R . . . .
C13 C 0.2012(3) 0.0892(3) 0.8167(3) 0.0498(7) Uani 1 1 d . . . . .
C14 C 0.2641(3) 0.0181(3) 0.7451(3) 0.0505(7) Uani 1 1 d . . . . .
C15 C 0.2598(3) -0.0989(3) 0.7525(3) 0.0609(8) Uani 1 1 d . . . . .
H15 H 0.3023 -0.1476 0.7044 0.073 Uiso 1 1 calc R . . . .
C16 C 0.1953(4) -0.1466(3) 0.8278(4) 0.0709(10) Uani 1 1 d . . . . .
H16 H 0.1948 -0.2268 0.8322 0.085 Uiso 1 1 calc R . . . .
C17 C 0.1315(3) -0.0786(3) 0.8968(4) 0.0693(10) Uani 1 1 d . . . . .
H17 H 0.0850 -0.1122 0.9473 0.083 Uiso 1 1 calc R . . . .
C18 C 0.1357(3) 0.0387(3) 0.8920(3) 0.0621(8) Uani 1 1 d . . . . .
H18 H 0.0930 0.0862 0.9410 0.074 Uiso 1 1 calc R . . . .
C19 C 0.3387(3) 0.0663(3) 0.6644(3) 0.0555(7) Uani 1 1 d . . . . .
H19A H 0.3010 0.1250 0.6360 0.067 Uiso 1 1 calc R . . . .
H19B H 0.3409 -0.0009 0.5983 0.067 Uiso 1 1 calc R . . . .
C20 C 0.5364(3) 0.2280(3) 0.9238(3) 0.0476(6) Uani 1 1 d . . . . .
C21 C 0.4868(3) 0.1615(3) 0.9952(3) 0.0593(8) Uani 1 1 d . . . . .
H21 H 0.4425 0.0805 0.9640 0.071 Uiso 1 1 calc R . . . .
C22 C 0.5009(4) 0.2114(4) 1.1114(3) 0.0728(10) Uani 1 1 d . . . . .
H22 H 0.4659 0.1651 1.1596 0.087 Uiso 1 1 calc R . . . .
C23 C 0.5654(4) 0.3277(4) 1.1569(3) 0.0795(12) Uani 1 1 d . . . . .
H23 H 0.5767 0.3614 1.2370 0.095 Uiso 1 1 calc R . . . .
C24 C 0.6130(5) 0.3946(4) 1.0885(4) 0.0909(14) Uani 1 1 d . . . . .
H24 H 0.6562 0.4759 1.1204 0.109 Uiso 1 1 calc R . . . .
C25 C 0.5994(4) 0.3460(3) 0.9728(3) 0.0705(10) Uani 1 1 d . . . . .
H25 H 0.6338 0.3940 0.9257 0.085 Uiso 1 1 calc R . . . .
C26 C 0.5908(3) 0.2942(3) 0.6669(3) 0.0494(6) Uani 1 1 d . . . . .
C27 C 0.5396(4) 0.3935(4) 0.6764(4) 0.0690(10) Uani 1 1 d . . . . .
H27 H 0.4755 0.4008 0.7207 0.083 Uiso 1 1 calc R . . . .
C28 C 0.5803(5) 0.4818(4) 0.6226(4) 0.0852(13) Uani 1 1 d . . . . .
H28 H 0.5444 0.5496 0.6308 0.102 Uiso 1 1 calc R . . . .
C29 C 0.6704(5) 0.4735(4) 0.5582(4) 0.0841(13) Uani 1 1 d . . . . .
H29 H 0.6972 0.5345 0.5207 0.101 Uiso 1 1 calc R . . . .
C30 C 0.7224(4) 0.3775(4) 0.5476(4) 0.0872(14) Uani 1 1 d . . . . .
H30 H 0.7858 0.3712 0.5024 0.105 Uiso 1 1 calc R . . . .
C31 C 0.6837(4) 0.2884(3) 0.6021(4) 0.0696(10) Uani 1 1 d . . . . .
H31 H 0.7218 0.2221 0.5947 0.083 Uiso 1 1 calc R . . . .
C32 C 0.6259(3) 0.0198(3) 0.7159(3) 0.0504(7) Uani 1 1 d . . . . .
C33 C 0.7252(4) 0.0277(4) 0.7927(4) 0.0772(11) Uani 1 1 d . . . . .
H33 H 0.7480 0.0947 0.8578 0.093 Uiso 1 1 calc R . . . .
C34 C 0.7924(4) -0.0603(5) 0.7768(5) 0.0955(15) Uani 1 1 d . . . . .
H34 H 0.8604 -0.0533 0.8307 0.115 Uiso 1 1 calc R . . . .
C35 C 0.7608(5) -0.1563(5) 0.6841(5) 0.0921(15) Uani 1 1 d . . . . .
H35 H 0.8076 -0.2159 0.6721 0.111 Uiso 1 1 calc R . . . .
C36 C 0.6612(6) -0.1674(4) 0.6079(4) 0.0908(15) Uani 1 1 d . . . . .
H36 H 0.6384 -0.2357 0.5438 0.109 Uiso 1 1 calc R . . . .
C37 C 0.5943(4) -0.0811(3) 0.6229(3) 0.0706(10) Uani 1 1 d . . . . .
H37 H 0.5254 -0.0903 0.5693 0.085 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 C1 1.827(4) . ?
P1 C7 1.832(3) . ?
P1 C13 1.827(3) . ?
Sn1 C19 2.168(3) . ?
Sn1 C20 2.127(3) . ?
Sn1 C26 2.134(3) . ?
Sn1 C32 2.133(3) . ?
C1 C2 1.382(5) . ?
C1 C6 1.387(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.392(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.358(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.371(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.377(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.386(5) . ?
C7 C12 1.381(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.380(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.356(8) . ?
C10 H10 0.9500 . ?
C10 C11 1.367(8) . ?
C11 H11 0.9500 . ?
C11 C12 1.385(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.403(4) . ?
C13 C18 1.396(4) . ?
C14 C15 1.383(5) . ?
C14 C19 1.490(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.374(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.373(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.377(5) . ?
C18 H18 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.383(4) . ?
C20 C25 1.385(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.369(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.349(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.374(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.385(5) . ?
C26 C31 1.377(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.376(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.350(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.354(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.384(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.381(5) . ?
C32 C37 1.391(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.387(6) . ?
C34 H34 0.9500 . ?
C34 C35 1.356(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.370(7) . ?
C36 H36 0.9500 . ?
C36 C37 1.370(6) . ?
C37 H37 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
C1 P1 C7 102.83(16) . . ?
C1 P1 C13 102.46(15) . . ?
C13 P1 C7 102.73(15) . . ?
C20 Sn1 C19 113.77(12) . . ?
C20 Sn1 C26 109.35(12) . . ?
C20 Sn1 C32 108.12(12) . . ?
C26 Sn1 C19 108.98(13) . . ?
C26 Sn1 C32 109.68(11) . . ?
C32 Sn1 C19 106.87(13) . . ?
C2 C1 P1 124.7(3) . . ?
C2 C1 C6 118.5(4) . . ?
C6 C1 P1 116.8(3) . . ?
C1 C2 H2 119.6 . . ?
C1 C2 C3 120.7(4) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.4(5) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 121.0(5) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(5) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 H6 119.7 . . ?
C5 C6 C1 120.6(5) . . ?
C5 C6 H6 119.7 . . ?
C8 C7 P1 124.6(3) . . ?
C12 C7 P1 117.1(3) . . ?
C12 C7 C8 118.3(4) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 C7 120.3(5) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.7(5) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0(5) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(5) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 C11 120.7(5) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C14 C13 P1 118.4(2) . . ?
C18 C13 P1 122.7(3) . . ?
C18 C13 C14 118.7(3) . . ?
C13 C14 C19 122.0(3) . . ?
C15 C14 C13 118.8(3) . . ?
C15 C14 C19 119.2(3) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 C14 121.5(3) . . ?
C16 C15 H15 119.2 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(3) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.4(3) . . ?
C18 C17 H17 120.3 . . ?
C13 C18 H18 119.3 . . ?
C17 C18 C13 121.4(3) . . ?
C17 C18 H18 119.3 . . ?
Sn1 C19 H19A 109.3 . . ?
Sn1 C19 H19B 109.3 . . ?
C14 C19 Sn1 111.6(2) . . ?
C14 C19 H19A 109.3 . . ?
C14 C19 H19B 109.3 . . ?
H19A C19 H19B 108.0 . . ?
C21 C20 Sn1 122.3(2) . . ?
C21 C20 C25 117.7(3) . . ?
C25 C20 Sn1 120.0(2) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.7(3) . . ?
C22 C21 H21 119.6 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 119.9(4) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.2(4) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(4) . . ?
C25 C24 H24 119.8 . . ?
C20 C25 H25 119.5 . . ?
C24 C25 C20 121.1(4) . . ?
C24 C25 H25 119.5 . . ?
C27 C26 Sn1 120.4(2) . . ?
C31 C26 Sn1 122.3(2) . . ?
C31 C26 C27 117.2(3) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.8(3) . . ?
C28 C27 H27 119.6 . . ?
C27 C28 H28 119.5 . . ?
C29 C28 C27 120.9(4) . . ?
C29 C28 H28 119.5 . . ?
C28 C29 H29 120.3 . . ?
C28 C29 C30 119.5(4) . . ?
C30 C29 H29 120.3 . . ?
C29 C30 H30 119.7 . . ?
C29 C30 C31 120.5(4) . . ?
C31 C30 H30 119.7 . . ?
C26 C31 C30 121.0(4) . . ?
C26 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C33 C32 Sn1 120.5(3) . . ?
C33 C32 C37 117.4(3) . . ?
C37 C32 Sn1 122.0(3) . . ?
C32 C33 H33 119.3 . . ?
C32 C33 C34 121.4(4) . . ?
C34 C33 H33 119.3 . . ?
C33 C34 H34 120.1 . . ?
C35 C34 C33 119.8(5) . . ?
C35 C34 H34 120.1 . . ?
C34 C35 H35 120.0 . . ?
C34 C35 C36 119.9(4) . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 119.7 . . ?
C37 C36 C35 120.7(4) . . ?
C37 C36 H36 119.7 . . ?
C32 C37 H37 119.6 . . ?
C36 C37 C32 120.8(4) . . ?
C36 C37 H37 119.6 . . ?

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
P1 C1 C2 C3 -178.9(3) . . . . ?
P1 C1 C6 C5 179.5(4) . . . . ?
P1 C7 C8 C9 -177.0(4) . . . . ?
P1 C7 C12 C11 178.1(4) . . . . ?
P1 C13 C14 C15 173.6(2) . . . . ?
P1 C13 C14 C19 -4.2(4) . . . . ?
P1 C13 C18 C17 -174.1(3) . . . . ?
Sn1 C20 C21 C22 178.3(3) . . . . ?
Sn1 C20 C25 C24 -178.2(4) . . . . ?
Sn1 C26 C27 C28 -177.3(4) . . . . ?
Sn1 C26 C31 C30 176.5(4) . . . . ?
Sn1 C32 C33 C34 178.4(4) . . . . ?
Sn1 C32 C37 C36 -178.5(3) . . . . ?
C1 P1 C7 C8 -87.8(4) . . . . ?
C1 P1 C7 C12 93.8(3) . . . . ?
C1 P1 C13 C14 -173.1(3) . . . . ?
C1 P1 C13 C18 0.9(3) . . . . ?
C1 C2 C3 C4 -0.1(6) . . . . ?
C2 C1 C6 C5 0.8(6) . . . . ?
C2 C3 C4 C5 -0.1(7) . . . . ?
C3 C4 C5 C6 0.7(8) . . . . ?
C4 C5 C6 C1 -1.0(8) . . . . ?
C6 C1 C2 C3 -0.3(5) . . . . ?
C7 P1 C1 C2 15.4(3) . . . . ?
C7 P1 C1 C6 -163.3(3) . . . . ?
C7 P1 C13 C14 80.5(3) . . . . ?
C7 P1 C13 C18 -105.6(3) . . . . ?
C7 C8 C9 C10 -0.4(8) . . . . ?
C8 C7 C12 C11 -0.3(7) . . . . ?
C8 C9 C10 C11 -1.7(8) . . . . ?
C9 C10 C11 C12 2.8(8) . . . . ?
C10 C11 C12 C7 -1.8(8) . . . . ?
C12 C7 C8 C9 1.4(6) . . . . ?
C13 P1 C1 C2 -91.0(3) . . . . ?
C13 P1 C1 C6 90.3(3) . . . . ?
C13 P1 C7 C8 18.3(4) . . . . ?
C13 P1 C7 C12 -160.0(3) . . . . ?
C13 C14 C15 C16 0.2(5) . . . . ?
C13 C14 C19 Sn1 87.3(3) . . . . ?
C14 C13 C18 C17 -0.2(5) . . . . ?
C14 C15 C16 C17 1.1(6) . . . . ?
C15 C14 C19 Sn1 -90.5(3) . . . . ?
C15 C16 C17 C18 -1.9(6) . . . . ?
C16 C17 C18 C13 1.4(6) . . . . ?
C18 C13 C14 C15 -0.6(5) . . . . ?
C18 C13 C14 C19 -178.4(3) . . . . ?
C19 C14 C15 C16 178.0(3) . . . . ?
C20 C21 C22 C23 -0.5(6) . . . . ?
C21 C20 C25 C24 0.6(6) . . . . ?
C21 C22 C23 C24 1.5(7) . . . . ?
C22 C23 C24 C25 -1.4(8) . . . . ?
C23 C24 C25 C20 0.3(8) . . . . ?
C25 C20 C21 C22 -0.5(5) . . . . ?
C26 C27 C28 C29 0.6(8) . . . . ?
C27 C26 C31 C30 -1.0(6) . . . . ?
C27 C28 C29 C30 -0.7(8) . . . . ?
C28 C29 C30 C31 0.0(8) . . . . ?
C29 C30 C31 C26 0.9(8) . . . . ?
C31 C26 C27 C28 0.2(6) . . . . ?
C32 C33 C34 C35 0.1(8) . . . . ?
C33 C32 C37 C36 -1.4(6) . . . . ?
C33 C34 C35 C36 -1.4(8) . . . . ?
C34 C35 C36 C37 1.3(8) . . . . ?
C35 C36 C37 C32 0.1(7) . . . . ?
C37 C32 C33 C34 1.3(6) . . . . ?

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

data_5
_database_code_depnum_ccdc_archive 'CCDC 1909932'
loop_
_audit_author_name
_audit_author_address
'Miguel-Angel Munoz-Hernandez'
;Universidad Autonoma del Estado de Morelos
Mexico
;
_audit_update_record             
;
2019-04-13 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;
_audit_creation_date             2018-05-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H40 P2 Pt Sn'
_chemical_formula_sum            'C40 H40 P2 Pt Sn'
_chemical_formula_weight         896.44
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H P Sn Pt'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   9.9322(2)
_cell_length_b                   28.0658(3)
_cell_length_c                   28.8753(6)
_cell_angle_alpha                90
_cell_angle_beta                 120.936(3)
_cell_angle_gamma                90
_cell_volume                     6904.1(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    18519
_cell_measurement_temperature    99.99(11)
_cell_measurement_theta_max      29.1170
_cell_measurement_theta_min      2.7180
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.892
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.34340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             3504
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_unetI/netI     0.0487
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.837
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            35608
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.837
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.184
_diffrn_reflns_theta_min         2.546
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(11)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1539
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.837
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     54.00  87.00   0.75   15.59    --   15.24-178.00 -30.00   44
  2  ω     -3.00  83.25   0.75   15.59    --   15.24  38.00  30.00  115
  3  ω    -32.00  80.50   0.75   15.59    --   15.24   0.00 120.00  150
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0289326000
_diffrn_orient_matrix_UB_12      -0.0149144000
_diffrn_orient_matrix_UB_13      0.0230299000
_diffrn_orient_matrix_UB_21      -0.0744779000
_diffrn_orient_matrix_UB_22      -0.0111527000
_diffrn_orient_matrix_UB_23      -0.0114573000
_diffrn_orient_matrix_UB_31      0.0233855000
_diffrn_orient_matrix_UB_32      -0.0170892000
_diffrn_orient_matrix_UB_33      -0.0125834000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13708
_reflns_number_total             15653
_reflns_odcompleteness_completeness 97.01
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.660
_refine_diff_density_min         -1.363
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     799
_refine_ls_number_reflns         15653
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0333
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0370P)²+0.4190P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0768
_refine_ls_wR_factor_ref         0.0807
_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 Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C47(H47A,H47B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22),
  C23(H23), C24(H24), C25(H25), C27(H27), C28(H28), C29(H29), C30(H30),
 C31(H31), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37), C43(H43), C44(H44),
  C45(H45), C46(H46), C49(H49), C50(H50), C51(H51), C52(H52), C53(H53),
 C55(H55), C56(H56), C57(H57), C58(H58), C59(H59), C61(H61), C62(H62), C63(H63),
  C64(H64), C65(H65), C67(H67), C68(H68), C69(H69), C70(H70), C71(H71),
 C73(H73), C74(H74), C75(H75), C76(H76), C77(H77)
2.c Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C78(H78A,H78B,
 H78C), C79(H79A,H79B,H79C), C80(H80A,H80B,H80C)
;
_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
Pt1 Pt 0.18137(2) 0.52791(2) 0.71104(2) 0.01305(5) Uani 1 1 d . . . . .
Sn1 Sn 0.13134(4) 0.44987(2) 0.65580(2) 0.01580(7) Uani 1 1 d . . . . .
P1 P 0.29652(13) 0.58869(4) 0.77163(4) 0.0150(2) Uani 1 1 d . . . . .
P2 P -0.07660(13) 0.53571(3) 0.68468(4) 0.0109(2) Uani 1 1 d . . . . .
C1 C 0.4986(5) 0.56810(14) 0.81240(16) 0.0145(8) Uani 1 1 d . . . . .
C2 C 0.5349(5) 0.53194(14) 0.78731(17) 0.0145(9) Uani 1 1 d . . . . .
C3 C 0.6852(5) 0.51173(14) 0.81636(17) 0.0164(9) Uani 1 1 d . . . . .
H3 H 0.7117 0.4872 0.8008 0.020 Uiso 1 1 calc R . . . .
C4 C 0.7948(6) 0.52742(14) 0.86768(18) 0.0193(9) Uani 1 1 d . . . . .
H4 H 0.8942 0.5137 0.8861 0.023 Uiso 1 1 calc R . . . .
C5 C 0.7563(5) 0.56361(14) 0.89160(17) 0.0193(9) Uani 1 1 d . . . . .
H5 H 0.8299 0.5744 0.9260 0.023 Uiso 1 1 calc R . . . .
C6 C 0.6090(5) 0.58349(14) 0.86431(17) 0.0168(9) Uani 1 1 d . . . . .
H6 H 0.5826 0.6074 0.8806 0.020 Uiso 1 1 calc R . . . .
C7 C 0.4166(5) 0.51680(16) 0.73125(18) 0.0215(10) Uani 1 1 d . . . . .
H7A H 0.4314 0.4832 0.7272 0.026 Uiso 1 1 calc R . . . .
H7B H 0.4348 0.5343 0.7060 0.026 Uiso 1 1 calc R . . . .
C8 C 0.3069(5) 0.64627(14) 0.74409(17) 0.0180(9) Uani 1 1 d . . . . .
C9 C 0.2089(5) 0.65461(15) 0.68843(18) 0.0212(10) Uani 1 1 d . . . . .
H9 H 0.1361 0.6316 0.6668 0.025 Uiso 1 1 calc R . . . .
C10 C 0.2200(6) 0.69662(16) 0.6656(2) 0.0268(11) Uani 1 1 d . . . . .
H10 H 0.1531 0.7020 0.6289 0.032 Uiso 1 1 calc R . . . .
C11 C 0.3303(6) 0.73084(16) 0.6972(2) 0.0294(11) Uani 1 1 d . . . . .
H11 H 0.3391 0.7588 0.6817 0.035 Uiso 1 1 calc R . . . .
C12 C 0.4277(6) 0.72292(15) 0.7524(2) 0.0311(12) Uani 1 1 d . . . . .
H12 H 0.5018 0.7457 0.7739 0.037 Uiso 1 1 calc R . . . .
C13 C 0.4144(5) 0.68136(15) 0.77516(19) 0.0232(10) Uani 1 1 d . . . . .
H13 H 0.4789 0.6767 0.8122 0.028 Uiso 1 1 calc R . . . .
C14 C 0.2425(5) 0.60023(15) 0.82218(16) 0.0168(9) Uani 1 1 d . . . . .
C15 C 0.2529(5) 0.56184(16) 0.85409(18) 0.0220(10) Uani 1 1 d . . . . .
H15 H 0.2878 0.5325 0.8494 0.026 Uiso 1 1 calc R . . . .
C16 C 0.2115(6) 0.56687(18) 0.89305(18) 0.0274(11) Uani 1 1 d . . . . .
H16 H 0.2169 0.5409 0.9139 0.033 Uiso 1 1 calc R . . . .
C17 C 0.1618(6) 0.61099(17) 0.90071(19) 0.0277(11) Uani 1 1 d . . . . .
H17 H 0.1374 0.6149 0.9276 0.033 Uiso 1 1 calc R . . . .
C18 C 0.1492(6) 0.64838(17) 0.86859(19) 0.0272(11) Uani 1 1 d . . . . .
H18 H 0.1118 0.6774 0.8728 0.033 Uiso 1 1 calc R . . . .
C19 C 0.1913(5) 0.64400(15) 0.82942(17) 0.0200(9) Uani 1 1 d . . . . .
H19 H 0.1850 0.6701 0.8085 0.024 Uiso 1 1 calc R . . . .
C20 C -0.1358(5) 0.58501(13) 0.71194(15) 0.0114(8) Uani 1 1 d . . . . .
C21 C -0.1326(5) 0.63144(14) 0.69524(16) 0.0152(9) Uani 1 1 d . . . . .
H21 H -0.1007 0.6366 0.6705 0.018 Uiso 1 1 calc R . . . .
C22 C -0.1758(5) 0.66990(14) 0.71462(17) 0.0188(9) Uani 1 1 d . . . . .
H22 H -0.1738 0.7006 0.7028 0.023 Uiso 1 1 calc R . . . .
C23 C -0.2225(5) 0.66216(15) 0.75208(16) 0.0182(9) Uani 1 1 d . . . . .
H23 H -0.2520 0.6878 0.7654 0.022 Uiso 1 1 calc R . . . .
C24 C -0.2250(5) 0.61701(14) 0.76920(17) 0.0189(9) Uani 1 1 d . . . . .
H24 H -0.2564 0.6120 0.7941 0.023 Uiso 1 1 calc R . . . .
C25 C -0.1813(5) 0.57852(14) 0.74982(16) 0.0180(9) Uani 1 1 d . . . . .
H25 H -0.1824 0.5480 0.7622 0.022 Uiso 1 1 calc R . . . .
C26 C -0.1532(5) 0.48356(13) 0.70231(16) 0.0127(8) Uani 1 1 d . . . . .
C27 C -0.0444(5) 0.45597(14) 0.74556(17) 0.0185(9) Uani 1 1 d . . . . .
H27 H 0.0611 0.4644 0.7640 0.022 Uiso 1 1 calc R . . . .
C28 C -0.0926(6) 0.41610(15) 0.76127(19) 0.0253(11) Uani 1 1 d . . . . .
H28 H -0.0197 0.3980 0.7905 0.030 Uiso 1 1 calc R . . . .
C29 C -0.2490(6) 0.40305(14) 0.73361(18) 0.0199(10) Uani 1 1 d . . . . .
H29 H -0.2809 0.3759 0.7439 0.024 Uiso 1 1 calc R . . . .
C30 C -0.3570(6) 0.43004(15) 0.69110(18) 0.0210(10) Uani 1 1 d . . . . .
H30 H -0.4625 0.4215 0.6729 0.025 Uiso 1 1 calc R . . . .
C31 C -0.3096(5) 0.46988(14) 0.67527(17) 0.0173(9) Uani 1 1 d . . . . .
H31 H -0.3834 0.4878 0.6461 0.021 Uiso 1 1 calc R . . . .
C32 C -0.2106(5) 0.54489(13) 0.61227(16) 0.0147(9) Uani 1 1 d . . . . .
C33 C -0.3668(5) 0.55785(13) 0.59106(17) 0.0165(9) Uani 1 1 d . . . . .
H33 H -0.4041 0.5636 0.6142 0.020 Uiso 1 1 calc R . . . .
C34 C -0.4674(6) 0.56221(14) 0.53579(17) 0.0214(10) Uani 1 1 d . . . . .
H34 H -0.5721 0.5701 0.5222 0.026 Uiso 1 1 calc R . . . .
C35 C -0.4142(6) 0.55494(15) 0.50110(18) 0.0252(11) Uani 1 1 d . . . . .
H35 H -0.4826 0.5576 0.4640 0.030 Uiso 1 1 calc R . . . .
C36 C -0.2581(6) 0.54364(16) 0.52140(18) 0.0256(11) Uani 1 1 d . . . . .
H36 H -0.2213 0.5393 0.4979 0.031 Uiso 1 1 calc R . . . .
C37 C -0.1558(6) 0.53866(14) 0.57663(17) 0.0198(9) Uani 1 1 d . . . . .
H37 H -0.0509 0.5312 0.5899 0.024 Uiso 1 1 calc R . . . .
C38 C 0.2861(6) 0.39185(16) 0.7026(2) 0.0298(11) Uani 1 1 d . . . . .
H38A H 0.3927 0.4029 0.7217 0.045 Uiso 1 1 calc GR . . . .
H38B H 0.2757 0.3663 0.6789 0.045 Uiso 1 1 calc GR . . . .
H38C H 0.2585 0.3806 0.7281 0.045 Uiso 1 1 calc GR . . . .
C39 C -0.0952(6) 0.41460(16) 0.6152(2) 0.0297(11) Uani 1 1 d . . . . .
H39A H -0.1223 0.4051 0.6413 0.045 Uiso 1 1 calc GR . . . .
H39B H -0.0902 0.3870 0.5965 0.045 Uiso 1 1 calc GR . . . .
H39C H -0.1734 0.4361 0.5897 0.045 Uiso 1 1 calc GR . . . .
C40 C 0.1848(6) 0.45841(16) 0.59214(17) 0.0233(10) Uani 1 1 d . . . . .
H40A H 0.1035 0.4768 0.5632 0.035 Uiso 1 1 calc GR . . . .
H40B H 0.1910 0.4276 0.5788 0.035 Uiso 1 1 calc GR . . . .
H40C H 0.2834 0.4746 0.6062 0.035 Uiso 1 1 calc GR . . . .
Pt2 Pt 0.41818(2) 0.80325(2) 0.55943(2) 0.01150(5) Uani 1 1 d . . . . .
Sn2 Sn 0.43461(3) 0.88488(2) 0.60479(2) 0.01433(7) Uani 1 1 d . . . . .
P3 P 0.31784(13) 0.73621(3) 0.50639(4) 0.0123(2) Uani 1 1 d . . . . .
P4 P 0.67702(13) 0.80273(3) 0.58657(4) 0.0104(2) Uani 1 1 d . . . . .
C41 C 0.1159(5) 0.75475(14) 0.46027(16) 0.0137(8) Uani 1 1 d . . . . .
C42 C 0.0709(5) 0.79348(14) 0.47991(17) 0.0150(9) Uani 1 1 d . . . . .
C43 C -0.0729(5) 0.81499(15) 0.44580(18) 0.0207(10) Uani 1 1 d . . . . .
H43 H -0.1035 0.8414 0.4576 0.025 Uiso 1 1 calc R . . . .
C44 C -0.1715(6) 0.79726(17) 0.39410(18) 0.0269(11) Uani 1 1 d . . . . .
H44 H -0.2663 0.8124 0.3712 0.032 Uiso 1 1 calc R . . . .
C45 C -0.1292(6) 0.75706(17) 0.37646(17) 0.0246(10) Uani 1 1 d . . . . .
H45 H -0.1984 0.7442 0.3427 0.030 Uiso 1 1 calc R . . . .
C46 C 0.0145(5) 0.73643(15) 0.40892(16) 0.0171(9) Uani 1 1 d . . . . .
H46 H 0.0445 0.7102 0.3967 0.021 Uiso 1 1 calc R . . . .
C47 C 0.1779(5) 0.80993(15) 0.53656(17) 0.0179(9) Uani 1 1 d . . . . .
H47A H 0.1589 0.7912 0.5609 0.022 Uiso 1 1 calc R . . . .
H47B H 0.1553 0.8430 0.5398 0.022 Uiso 1 1 calc R . . . .
C48 C 0.3037(5) 0.68195(13) 0.53869(16) 0.0126(8) Uani 1 1 d . . . . .
C49 C 0.4122(5) 0.67447(14) 0.59310(17) 0.0168(9) Uani 1 1 d . . . . .
H49 H 0.4919 0.6966 0.6120 0.020 Uiso 1 1 calc R . . . .
C50 C 0.4030(5) 0.63413(15) 0.61970(18) 0.0200(9) Uani 1 1 d . . . . .
H50 H 0.4761 0.6293 0.6561 0.024 Uiso 1 1 calc R . . . .
C51 C 0.2843(6) 0.60140(15) 0.59141(18) 0.0215(10) Uani 1 1 d . . . . .
H51 H 0.2786 0.5742 0.6087 0.026 Uiso 1 1 calc R . . . .
C52 C 0.1742(6) 0.60896(15) 0.53774(18) 0.0218(10) Uani 1 1 d . . . . .
H52 H 0.0939 0.5870 0.5190 0.026 Uiso 1 1 calc R . . . .
C53 C 0.1832(5) 0.64906(14) 0.51189(17) 0.0186(9) Uani 1 1 d . . . . .
H53 H 0.1073 0.6542 0.4759 0.022 Uiso 1 1 calc R . . . .
C54 C 0.3801(5) 0.71845(14) 0.45934(15) 0.0134(8) Uani 1 1 d . . . . .
C55 C 0.3952(6) 0.67155(15) 0.44751(17) 0.0220(10) Uani 1 1 d . . . . .
H55 H 0.3817 0.6469 0.4662 0.026 Uiso 1 1 calc R . . . .
C56 C 0.4304(6) 0.66123(17) 0.40780(18) 0.0282(11) Uani 1 1 d . . . . .
H56 H 0.4401 0.6297 0.4000 0.034 Uiso 1 1 calc R . . . .
C57 C 0.4509(6) 0.69761(17) 0.38011(18) 0.0279(11) Uani 1 1 d . . . . .
H57 H 0.4739 0.6907 0.3534 0.034 Uiso 1 1 calc R . . . .
C58 C 0.4372(6) 0.74408(18) 0.39183(19) 0.0293(11) Uani 1 1 d . . . . .
H58 H 0.4506 0.7686 0.3729 0.035 Uiso 1 1 calc R . . . .
C59 C 0.4036(6) 0.75458(15) 0.43168(18) 0.0224(10) Uani 1 1 d . . . . .
H59 H 0.3968 0.7862 0.4399 0.027 Uiso 1 1 calc R . . . .
C60 C 0.7484(5) 0.75412(14) 0.56228(15) 0.0116(8) Uani 1 1 d . . . . .
C61 C 0.7447(5) 0.70805(14) 0.57899(17) 0.0162(9) Uani 1 1 d . . . . .
H61 H 0.7140 0.7031 0.6041 0.019 Uiso 1 1 calc R . . . .
C62 C 0.7849(6) 0.66971(14) 0.55953(18) 0.0204(10) Uani 1 1 d . . . . .
H62 H 0.7827 0.6392 0.5717 0.024 Uiso 1 1 calc R . . . .
C63 C 0.8293(5) 0.67628(15) 0.52151(18) 0.0205(10) Uani 1 1 d . . . . .
H63 H 0.8553 0.6502 0.5077 0.025 Uiso 1 1 calc R . . . .
C64 C 0.8342(6) 0.72183(15) 0.50439(19) 0.0255(11) Uani 1 1 d . . . . .
H64 H 0.8651 0.7264 0.4793 0.031 Uiso 1 1 calc R . . . .
C65 C 0.7937(6) 0.76072(15) 0.52422(18) 0.0216(10) Uani 1 1 d . . . . .
H65 H 0.7967 0.7912 0.5122 0.026 Uiso 1 1 calc R . . . .
C66 C 0.7378(5) 0.85640(14) 0.56589(16) 0.0141(8) Uani 1 1 d . . . . .
C67 C 0.6215(5) 0.88140(14) 0.52140(16) 0.0180(9) Uani 1 1 d . . . . .
H67 H 0.5181 0.8708 0.5039 0.022 Uiso 1 1 calc R . . . .
C68 C 0.6607(6) 0.92239(16) 0.50321(18) 0.0255(11) Uani 1 1 d . . . . .
H68 H 0.5832 0.9388 0.4734 0.031 Uiso 1 1 calc R . . . .
C69 C 0.8144(6) 0.93854(15) 0.52943(18) 0.0235(10) Uani 1 1 d . . . . .
H69 H 0.8397 0.9661 0.5177 0.028 Uiso 1 1 calc R . . . .
C70 C 0.9293(6) 0.91366(15) 0.57282(18) 0.0225(10) Uani 1 1 d . . . . .
H70 H 1.0327 0.9242 0.5902 0.027 Uiso 1 1 calc R . . . .
C71 C 0.8914(5) 0.87259(14) 0.59091(17) 0.0175(9) Uani 1 1 d . . . . .
H71 H 0.9701 0.8559 0.6201 0.021 Uiso 1 1 calc R . . . .
C72 C 0.8134(5) 0.79661(13) 0.66001(15) 0.0122(8) Uani 1 1 d . . . . .
C73 C 0.9704(5) 0.78421(13) 0.68162(16) 0.0153(9) Uani 1 1 d . . . . .
H73 H 1.0088 0.7790 0.6587 0.018 Uiso 1 1 calc R . . . .
C74 C 1.0698(5) 0.77960(15) 0.73672(17) 0.0213(10) Uani 1 1 d . . . . .
H74 H 1.1750 0.7722 0.7507 0.026 Uiso 1 1 calc R . . . .
C75 C 1.0127(6) 0.78606(15) 0.77102(17) 0.0231(10) Uani 1 1 d . . . . .
H75 H 1.0799 0.7835 0.8082 0.028 Uiso 1 1 calc R . . . .
C76 C 0.8569(6) 0.79626(15) 0.75019(18) 0.0243(11) Uani 1 1 d . . . . .
H76 H 0.8180 0.7994 0.7733 0.029 Uiso 1 1 calc R . . . .
C77 C 0.7563(5) 0.80189(13) 0.69473(17) 0.0173(9) Uani 1 1 d . . . . .
H77 H 0.6511 0.8092 0.6810 0.021 Uiso 1 1 calc R . . . .
C78 C 0.2828(6) 0.93709(16) 0.54595(18) 0.0294(12) Uani 1 1 d . . . . .
H78A H 0.3260 0.9465 0.5243 0.044 Uiso 1 1 calc GR . . . .
H78B H 0.2744 0.9645 0.5642 0.044 Uiso 1 1 calc GR . . . .
H78C H 0.1806 0.9235 0.5232 0.044 Uiso 1 1 calc GR . . . .
C79 C 0.3495(6) 0.87452(16) 0.65992(18) 0.0238(10) Uani 1 1 d . . . . .
H79A H 0.2521 0.8573 0.6419 0.036 Uiso 1 1 calc GR . . . .
H79B H 0.3332 0.9050 0.6715 0.036 Uiso 1 1 calc GR . . . .
H79C H 0.4255 0.8567 0.6908 0.036 Uiso 1 1 calc GR . . . .
C80 C 0.6491(6) 0.92477(16) 0.65218(19) 0.0270(11) Uani 1 1 d . . . . .
H80A H 0.7303 0.9038 0.6773 0.041 Uiso 1 1 calc GR . . . .
H80B H 0.6322 0.9495 0.6716 0.041 Uiso 1 1 calc GR . . . .
H80C H 0.6800 0.9387 0.6287 0.041 Uiso 1 1 calc GR . . . .


_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
Pt1 Sn1 2.6026(3) . ?
Pt1 P1 2.2850(11) . ?
Pt1 P2 2.2775(11) . ?
Pt1 C7 2.120(4) . ?
Sn1 C38 2.169(5) . ?
Sn1 C39 2.169(5) . ?
Sn1 C40 2.173(4) . ?
P1 C1 1.822(4) . ?
P1 C8 1.827(4) . ?
P1 C14 1.825(4) . ?
P2 C20 1.832(4) . ?
P2 C26 1.838(4) . ?
P2 C32 1.830(4) . ?
C1 C2 1.398(5) . ?
C1 C6 1.395(6) . ?
C2 C3 1.402(6) . ?
C2 C7 1.492(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.384(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.388(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(6) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.406(6) . ?
C8 C13 1.389(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.382(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.388(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.392(7) . ?
C12 H12 0.9300 . ?
C12 C13 1.379(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.387(6) . ?
C14 C19 1.386(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.389(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.392(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.363(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.398(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.395(5) . ?
C20 C25 1.394(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.382(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.396(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.365(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.385(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.393(6) . ?
C26 C31 1.387(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.382(6) . ?
C28 H28 0.9300 . ?
C28 C29 1.382(7) . ?
C29 H29 0.9300 . ?
C29 C30 1.370(6) . ?
C30 H30 0.9300 . ?
C30 C31 1.379(6) . ?
C31 H31 0.9300 . ?
C32 C33 1.392(6) . ?
C32 C37 1.401(5) . ?
C33 H33 0.9300 . ?
C33 C34 1.386(6) . ?
C34 H34 0.9300 . ?
C34 C35 1.367(6) . ?
C35 H35 0.9300 . ?
C35 C36 1.383(7) . ?
C36 H36 0.9300 . ?
C36 C37 1.389(6) . ?
C37 H37 0.9300 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
Pt2 Sn2 2.6019(3) . ?
Pt2 P3 2.3044(10) . ?
Pt2 P4 2.2699(11) . ?
Pt2 C47 2.132(4) . ?
Sn2 C78 2.162(4) . ?
Sn2 C79 2.172(4) . ?
Sn2 C80 2.160(5) . ?
P3 C41 1.822(4) . ?
P3 C48 1.828(4) . ?
P3 C54 1.828(4) . ?
P4 C60 1.835(4) . ?
P4 C66 1.833(4) . ?
P4 C72 1.846(4) . ?
C41 C42 1.401(6) . ?
C41 C46 1.394(6) . ?
C42 C43 1.389(6) . ?
C42 C47 1.494(6) . ?
C43 H43 0.9300 . ?
C43 C44 1.390(6) . ?
C44 H44 0.9300 . ?
C44 C45 1.389(6) . ?
C45 H45 0.9300 . ?
C45 C46 1.370(6) . ?
C46 H46 0.9300 . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 C49 1.391(6) . ?
C48 C53 1.389(6) . ?
C49 H49 0.9300 . ?
C49 C50 1.397(6) . ?
C50 H50 0.9300 . ?
C50 C51 1.383(6) . ?
C51 H51 0.9300 . ?
C51 C52 1.378(6) . ?
C52 H52 0.9300 . ?
C52 C53 1.379(6) . ?
C53 H53 0.9300 . ?
C54 C55 1.387(6) . ?
C54 C59 1.383(6) . ?
C55 H55 0.9300 . ?
C55 C56 1.390(6) . ?
C56 H56 0.9300 . ?
C56 C57 1.375(6) . ?
C57 H57 0.9300 . ?
C57 C58 1.372(6) . ?
C58 H58 0.9300 . ?
C58 C59 1.385(6) . ?
C59 H59 0.9300 . ?
C60 C61 1.387(5) . ?
C60 C65 1.398(5) . ?
C61 H61 0.9300 . ?
C61 C62 1.365(6) . ?
C62 H62 0.9300 . ?
C62 C63 1.389(6) . ?
C63 H63 0.9300 . ?
C63 C64 1.381(6) . ?
C64 H64 0.9300 . ?
C64 C65 1.385(6) . ?
C65 H65 0.9300 . ?
C66 C67 1.397(6) . ?
C66 C71 1.386(6) . ?
C67 H67 0.9300 . ?
C67 C68 1.400(6) . ?
C68 H68 0.9300 . ?
C68 C69 1.386(7) . ?
C69 H69 0.9300 . ?
C69 C70 1.375(6) . ?
C70 H70 0.9300 . ?
C70 C71 1.395(6) . ?
C71 H71 0.9300 . ?
C72 C73 1.394(6) . ?
C72 C77 1.390(5) . ?
C73 H73 0.9300 . ?
C73 C74 1.381(6) . ?
C74 H74 0.9300 . ?
C74 C75 1.383(6) . ?
C75 H75 0.9300 . ?
C75 C76 1.372(7) . ?
C76 H76 0.9300 . ?
C76 C77 1.394(6) . ?
C77 H77 0.9300 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pt1 Sn1 163.78(3) . . ?
P2 Pt1 Sn1 92.78(3) . . ?
P2 Pt1 P1 102.62(4) . . ?
C7 Pt1 Sn1 83.17(11) . . ?
C7 Pt1 P1 81.49(12) . . ?
C7 Pt1 P2 175.86(11) . . ?
C38 Sn1 Pt1 113.51(14) . . ?
C38 Sn1 C40 101.94(17) . . ?
C39 Sn1 Pt1 122.24(12) . . ?
C39 Sn1 C38 101.6(2) . . ?
C39 Sn1 C40 103.27(19) . . ?
C40 Sn1 Pt1 111.90(12) . . ?
C1 P1 Pt1 102.09(13) . . ?
C1 P1 C8 105.79(19) . . ?
C1 P1 C14 102.65(19) . . ?
C8 P1 Pt1 116.42(14) . . ?
C14 P1 Pt1 120.51(14) . . ?
C14 P1 C8 107.25(19) . . ?
C20 P2 Pt1 118.91(14) . . ?
C20 P2 C26 102.27(18) . . ?
C26 P2 Pt1 112.68(14) . . ?
C32 P2 Pt1 115.32(14) . . ?
C32 P2 C20 100.32(18) . . ?
C32 P2 C26 105.49(19) . . ?
C2 C1 P1 112.8(3) . . ?
C6 C1 P1 126.3(3) . . ?
C6 C1 C2 120.8(4) . . ?
C1 C2 C3 117.6(4) . . ?
C1 C2 C7 120.0(4) . . ?
C3 C2 C7 122.4(4) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 C2 121.4(4) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 119.9(4) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.1 . . ?
C6 C5 C4 119.8(4) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 H6 119.8 . . ?
C5 C6 C1 120.5(4) . . ?
C5 C6 H6 119.8 . . ?
Pt1 C7 H7A 108.9 . . ?
Pt1 C7 H7B 108.9 . . ?
C2 C7 Pt1 113.5(3) . . ?
C2 C7 H7A 108.9 . . ?
C2 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C9 C8 P1 119.0(3) . . ?
C13 C8 P1 122.8(3) . . ?
C13 C8 C9 118.1(4) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.6(4) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.4(5) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.3 . . ?
C10 C11 C12 119.4(4) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(5) . . ?
C13 C12 H12 120.0 . . ?
C8 C13 H13 119.3 . . ?
C12 C13 C8 121.5(4) . . ?
C12 C13 H13 119.3 . . ?
C15 C14 P1 116.2(3) . . ?
C19 C14 P1 124.0(3) . . ?
C19 C14 C15 119.8(4) . . ?
C14 C15 H15 119.8 . . ?
C14 C15 C16 120.5(4) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.7(4) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.5(4) . . ?
C18 C17 H17 120.2 . . ?
C17 C18 H18 119.3 . . ?
C17 C18 C19 121.4(4) . . ?
C19 C18 H18 119.3 . . ?
C14 C19 C18 119.0(4) . . ?
C14 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C21 C20 P2 119.2(3) . . ?
C25 C20 P2 122.9(3) . . ?
C25 C20 C21 117.9(3) . . ?
C20 C21 H21 119.2 . . ?
C22 C21 C20 121.5(3) . . ?
C22 C21 H21 119.2 . . ?
C21 C22 H22 120.4 . . ?
C21 C22 C23 119.2(4) . . ?
C23 C22 H22 120.4 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(4) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.7(4) . . ?
C25 C24 H24 119.7 . . ?
C20 C25 H25 119.7 . . ?
C24 C25 C20 120.7(4) . . ?
C24 C25 H25 119.7 . . ?
C27 C26 P2 116.8(3) . . ?
C31 C26 P2 124.6(3) . . ?
C31 C26 C27 118.6(4) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.3(4) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.1(4) . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.1(4) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.1(4) . . ?
C31 C30 H30 120.0 . . ?
C26 C31 H31 119.6 . . ?
C30 C31 C26 120.8(4) . . ?
C30 C31 H31 119.6 . . ?
C33 C32 P2 122.1(3) . . ?
C33 C32 C37 118.4(4) . . ?
C37 C32 P2 119.5(3) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.7(4) . . ?
C34 C33 H33 119.7 . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.6(4) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 H35 120.2 . . ?
C34 C35 C36 119.7(4) . . ?
C36 C35 H35 120.2 . . ?
C35 C36 H36 119.7 . . ?
C35 C36 C37 120.6(4) . . ?
C37 C36 H36 119.7 . . ?
C32 C37 H37 120.0 . . ?
C36 C37 C32 120.0(4) . . ?
C36 C37 H37 120.0 . . ?
Sn1 C38 H38A 109.5 . . ?
Sn1 C38 H38B 109.5 . . ?
Sn1 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Sn1 C39 H39A 109.5 . . ?
Sn1 C39 H39B 109.5 . . ?
Sn1 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Sn1 C40 H40A 109.5 . . ?
Sn1 C40 H40B 109.5 . . ?
Sn1 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
P3 Pt2 Sn2 161.31(3) . . ?
P4 Pt2 Sn2 93.73(3) . . ?
P4 Pt2 P3 104.49(4) . . ?
C47 Pt2 Sn2 81.32(11) . . ?
C47 Pt2 P3 80.40(11) . . ?
C47 Pt2 P4 175.01(11) . . ?
C78 Sn2 Pt2 111.31(13) . . ?
C78 Sn2 C79 106.84(18) . . ?
C78 Sn2 C80 102.0(2) . . ?
C79 Sn2 Pt2 107.68(12) . . ?
C80 Sn2 Pt2 124.16(13) . . ?
C80 Sn2 C79 103.51(18) . . ?
C41 P3 Pt2 100.95(13) . . ?
C41 P3 C48 105.43(19) . . ?
C41 P3 C54 101.57(18) . . ?
C48 P3 Pt2 117.48(13) . . ?
C54 P3 Pt2 121.38(14) . . ?
C54 P3 C48 107.23(17) . . ?
C60 P4 Pt2 117.66(14) . . ?
C60 P4 C72 99.81(17) . . ?
C66 P4 Pt2 112.74(14) . . ?
C66 P4 C60 103.29(18) . . ?
C66 P4 C72 106.30(18) . . ?
C72 P4 Pt2 115.40(14) . . ?
C42 C41 P3 112.7(3) . . ?
C46 C41 P3 126.4(3) . . ?
C46 C41 C42 120.7(4) . . ?
C41 C42 C47 119.2(4) . . ?
C43 C42 C41 118.4(4) . . ?
C43 C42 C47 122.4(4) . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.4(4) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 119.8 . . ?
C45 C44 C43 120.4(4) . . ?
C45 C44 H44 119.8 . . ?
C44 C45 H45 120.1 . . ?
C46 C45 C44 119.8(4) . . ?
C46 C45 H45 120.1 . . ?
C41 C46 H46 120.0 . . ?
C45 C46 C41 120.1(4) . . ?
C45 C46 H46 120.0 . . ?
Pt2 C47 H47A 109.4 . . ?
Pt2 C47 H47B 109.4 . . ?
C42 C47 Pt2 111.4(3) . . ?
C42 C47 H47A 109.4 . . ?
C42 C47 H47B 109.4 . . ?
H47A C47 H47B 108.0 . . ?
C49 C48 P3 118.9(3) . . ?
C53 C48 P3 122.6(3) . . ?
C53 C48 C49 118.3(4) . . ?
C48 C49 H49 119.6 . . ?
C48 C49 C50 120.8(4) . . ?
C50 C49 H49 119.6 . . ?
C49 C50 H50 120.3 . . ?
C51 C50 C49 119.4(4) . . ?
C51 C50 H50 120.3 . . ?
C50 C51 H51 119.9 . . ?
C52 C51 C50 120.3(4) . . ?
C52 C51 H51 119.9 . . ?
C51 C52 H52 120.0 . . ?
C53 C52 C51 120.0(4) . . ?
C53 C52 H52 120.0 . . ?
C48 C53 H53 119.4 . . ?
C52 C53 C48 121.2(4) . . ?
C52 C53 H53 119.4 . . ?
C55 C54 P3 124.2(3) . . ?
C59 C54 P3 116.8(3) . . ?
C59 C54 C55 118.8(4) . . ?
C54 C55 H55 119.8 . . ?
C54 C55 C56 120.4(4) . . ?
C56 C55 H55 119.8 . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 120.0(4) . . ?
C57 C56 H56 120.0 . . ?
C56 C57 H57 120.0 . . ?
C58 C57 C56 120.0(4) . . ?
C58 C57 H57 120.0 . . ?
C57 C58 H58 119.9 . . ?
C57 C58 C59 120.3(4) . . ?
C59 C58 H58 119.9 . . ?
C54 C59 C58 120.5(4) . . ?
C54 C59 H59 119.7 . . ?
C58 C59 H59 119.7 . . ?
C61 C60 P4 118.4(3) . . ?
C61 C60 C65 118.3(4) . . ?
C65 C60 P4 123.1(3) . . ?
C60 C61 H61 119.1 . . ?
C62 C61 C60 121.7(4) . . ?
C62 C61 H61 119.1 . . ?
C61 C62 H62 120.0 . . ?
C61 C62 C63 120.0(4) . . ?
C63 C62 H62 120.0 . . ?
C62 C63 H63 120.3 . . ?
C64 C63 C62 119.3(4) . . ?
C64 C63 H63 120.3 . . ?
C63 C64 H64 119.7 . . ?
C63 C64 C65 120.7(4) . . ?
C65 C64 H64 119.7 . . ?
C60 C65 H65 120.0 . . ?
C64 C65 C60 120.0(4) . . ?
C64 C65 H65 120.0 . . ?
C67 C66 P4 117.2(3) . . ?
C71 C66 P4 123.9(3) . . ?
C71 C66 C67 118.9(4) . . ?
C66 C67 H67 120.0 . . ?
C66 C67 C68 120.0(4) . . ?
C68 C67 H67 120.0 . . ?
C67 C68 H68 119.9 . . ?
C69 C68 C67 120.3(4) . . ?
C69 C68 H68 119.9 . . ?
C68 C69 H69 120.1 . . ?
C70 C69 C68 119.8(4) . . ?
C70 C69 H69 120.1 . . ?
C69 C70 H70 119.9 . . ?
C69 C70 C71 120.2(4) . . ?
C71 C70 H70 119.9 . . ?
C66 C71 C70 120.8(4) . . ?
C66 C71 H71 119.6 . . ?
C70 C71 H71 119.6 . . ?
C73 C72 P4 121.9(3) . . ?
C77 C72 P4 119.2(3) . . ?
C77 C72 C73 118.8(4) . . ?
C72 C73 H73 119.6 . . ?
C74 C73 C72 120.7(4) . . ?
C74 C73 H73 119.6 . . ?
C73 C74 H74 120.0 . . ?
C73 C74 C75 120.0(4) . . ?
C75 C74 H74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C76 C75 C74 119.9(4) . . ?
C76 C75 H75 120.0 . . ?
C75 C76 H76 119.7 . . ?
C75 C76 C77 120.5(4) . . ?
C77 C76 H76 119.7 . . ?
C72 C77 C76 120.0(4) . . ?
C72 C77 H77 120.0 . . ?
C76 C77 H77 120.0 . . ?
Sn2 C78 H78A 109.5 . . ?
Sn2 C78 H78B 109.5 . . ?
Sn2 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
Sn2 C79 H79A 109.5 . . ?
Sn2 C79 H79B 109.5 . . ?
Sn2 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
Sn2 C80 H80A 109.5 . . ?
Sn2 C80 H80B 109.5 . . ?
Sn2 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.864
_oxdiff_exptl_absorpt_empirical_full_min 0.613
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_chemical_properties_physical    Air-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_6
_database_code_depnum_ccdc_archive 'CCDC 1909933'
loop_
_audit_author_name
_audit_author_address
'Miguel-Angel Munoz-Hernandez'
;Universidad Autonoma del Estado de Morelos
Mexico
;
_audit_update_record             
;
2019-04-13 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;
_audit_creation_date             2019-02-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C50 H42 P2 Pt Sn'
_chemical_formula_sum            'C50 H42 P2 Pt Sn'
_chemical_formula_weight         1018.55
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C20 H20 P2 Sn Pt'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.1448(3)
_cell_length_b                   12.7959(4)
_cell_length_c                   17.5669(5)
_cell_angle_alpha                93.852(2)
_cell_angle_beta                 99.343(2)
_cell_angle_gamma                112.307(3)
_cell_volume                     2060.91(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    16637
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.8690
_cell_measurement_theta_min      3.0750
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.108
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.45892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'rect. Prism'
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_av_unetI/netI     0.0425
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            41885
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_min         2.603
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0769
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -54.00   85.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -       15.2374    0.0000 -120.0000 139

#__ type_ start__ end____ width___ exp.time_
  2 omega  -20.00   54.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -99.0000  -30.0000 74

#__ type_ start__ end____ width___ exp.time_
  3 omega  -20.00   54.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -99.0000 -120.0000 74

#__ type_ start__ end____ width___ exp.time_
  4 omega  -11.00   83.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -       15.2374   77.0000   30.0000 94

#__ type_ start__ end____ width___ exp.time_
  5 omega   -4.00   84.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -       15.2374   38.0000   90.0000 88

#__ type_ start__ end____ width___ exp.time_
  6 omega  -84.00   11.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -      -16.1749  -77.0000   90.0000 95

#__ type_ start__ end____ width___ exp.time_
  7 omega  -20.00   54.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -99.0000  120.0000 74

#__ type_ start__ end____ width___ exp.time_
  8 omega   -1.00   83.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -       15.2374   57.0000 -120.0000 84

#__ type_ start__ end____ width___ exp.time_
  9 omega   -4.00   84.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -       15.2374   38.0000   30.0000 88

#__ type_ start__ end____ width___ exp.time_
 10 omega  -20.00   54.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -99.0000   30.0000 74

#__ type_ start__ end____ width___ exp.time_
 11 omega  -14.00   87.00   1.0000    9.6200
omega____ theta____ kappa____ phi______ frames
    -       15.2374   19.0000  -30.0000 101
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0665423000
_diffrn_orient_matrix_UB_12      -0.0389972000
_diffrn_orient_matrix_UB_13      0.0074018000
_diffrn_orient_matrix_UB_21      -0.0153312000
_diffrn_orient_matrix_UB_22      0.0462732000
_diffrn_orient_matrix_UB_23      0.0146099000
_diffrn_orient_matrix_UB_31      -0.0359890000
_diffrn_orient_matrix_UB_32      0.0009077000
_diffrn_orient_matrix_UB_33      -0.0379501000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8060
_reflns_number_total             8961
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.973
_refine_diff_density_min         -2.378
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         8961
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0341
_refine_ls_restrained_S_all      1.029
_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)+(0.0430P)²+3.8830P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0854
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C32(H32A,H32B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C21(H21), C22(H22), C23(H23),
  C24(H24), C25(H25), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31),
 C34(H34), C35(H35), C36(H36), C37(H37), C40(H40), C41(H41), C42(H42), C43(H43),
  C44(H44), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.53970(2) 0.23964(2) 0.72161(2) 0.01705(6) Uani 1 1 d . . . . .
Sn1 Sn 0.77426(3) 0.40791(2) 0.79107(2) 0.01911(8) Uani 1 1 d . . . . .
P1 P 0.54226(11) 0.16041(9) 0.83532(6) 0.0159(2) Uani 1 1 d . . . . .
P2 P 0.32348(12) 0.12505(10) 0.63868(6) 0.0179(2) Uani 1 1 d . . . . .
C1 C 0.4273(4) 0.0083(4) 0.8272(2) 0.0191(9) Uani 1 1 d . . . . .
C2 C 0.4350(5) -0.0627(4) 0.7661(3) 0.0222(9) Uani 1 1 d . . . . .
H2 H 0.4966 -0.0320 0.7322 0.027 Uiso 1 1 calc R . . . .
C3 C 0.3514(5) -0.1794(4) 0.7553(3) 0.0278(10) Uani 1 1 d . . . . .
H3 H 0.3561 -0.2264 0.7140 0.033 Uiso 1 1 calc R . . . .
C4 C 0.2606(5) -0.2255(4) 0.8067(3) 0.0352(12) Uani 1 1 d . . . . .
H4 H 0.2054 -0.3036 0.8004 0.042 Uiso 1 1 calc R . . . .
C5 C 0.2531(5) -0.1548(4) 0.8670(3) 0.0322(11) Uani 1 1 d . . . . .
H5 H 0.1916 -0.1857 0.9009 0.039 Uiso 1 1 calc R . . . .
C6 C 0.3353(5) -0.0389(4) 0.8779(3) 0.0257(10) Uani 1 1 d . . . . .
H6 H 0.3294 0.0077 0.9191 0.031 Uiso 1 1 calc R . . . .
C7 C 0.4790(4) 0.2294(4) 0.9073(2) 0.0203(9) Uani 1 1 d . . . . .
C8 C 0.3974(5) 0.2912(4) 0.8830(3) 0.0230(9) Uani 1 1 d . . . . .
H8 H 0.3721 0.2949 0.8303 0.028 Uiso 1 1 calc R . . . .
C9 C 0.3533(5) 0.3480(5) 0.9377(3) 0.0322(11) Uani 1 1 d . . . . .
H9 H 0.3005 0.3909 0.9212 0.039 Uiso 1 1 calc R . . . .
C10 C 0.3872(5) 0.3410(5) 1.0164(3) 0.0373(13) Uani 1 1 d . . . . .
H10 H 0.3570 0.3786 1.0526 0.045 Uiso 1 1 calc R . . . .
C11 C 0.4664(6) 0.2778(5) 1.0405(3) 0.0393(13) Uani 1 1 d . . . . .
H11 H 0.4894 0.2725 1.0932 0.047 Uiso 1 1 calc R . . . .
C12 C 0.5117(5) 0.2221(5) 0.9860(3) 0.0324(12) Uani 1 1 d . . . . .
H12 H 0.5646 0.1794 1.0026 0.039 Uiso 1 1 calc R . . . .
C13 C 0.7177(4) 0.1674(4) 0.8922(2) 0.0181(8) Uani 1 1 d . . . . .
C14 C 0.7338(5) 0.0662(4) 0.9057(2) 0.0202(9) Uani 1 1 d . . . . .
H14 H 0.6555 -0.0031 0.8870 0.024 Uiso 1 1 calc R . . . .
C15 C 0.8630(5) 0.0658(4) 0.9460(3) 0.0246(10) Uani 1 1 d . . . . .
H15 H 0.8707 -0.0026 0.9550 0.030 Uiso 1 1 calc R . . . .
C16 C 0.9805(5) 0.1690(4) 0.9727(3) 0.0293(11) Uani 1 1 d . . . . .
H16 H 1.0689 0.1702 0.9984 0.035 Uiso 1 1 calc R . . . .
C17 C 0.9654(5) 0.2699(4) 0.9611(3) 0.0238(9) Uani 1 1 d . . . . .
H17 H 1.0445 0.3384 0.9804 0.029 Uiso 1 1 calc R . . . .
C18 C 0.8365(5) 0.2732(4) 0.9215(2) 0.0203(9) Uani 1 1 d . . . . .
C19 C 0.8291(5) 0.3869(4) 0.9133(3) 0.0241(9) Uani 1 1 d . . . . .
H19A H 0.9223 0.4470 0.9376 0.029 Uiso 1 1 calc R . . . .
H19B H 0.7564 0.3944 0.9403 0.029 Uiso 1 1 calc R . . . .
C20 C 0.9689(5) 0.4431(4) 0.7440(3) 0.0228(9) Uani 1 1 d . . . . .
C21 C 1.0842(5) 0.4217(5) 0.7804(3) 0.0422(14) Uani 1 1 d . . . . .
H21 H 1.0813 0.3942 0.8281 0.051 Uiso 1 1 calc R . . . .
C22 C 1.2060(6) 0.4403(6) 0.7472(4) 0.0549(18) Uani 1 1 d . . . . .
H22 H 1.2839 0.4267 0.7736 0.066 Uiso 1 1 calc R . . . .
C23 C 1.2119(6) 0.4785(5) 0.6761(4) 0.0440(14) Uani 1 1 d . . . . .
H23 H 1.2915 0.4880 0.6532 0.053 Uiso 1 1 calc R . . . .
C24 C 1.0992(6) 0.5022(5) 0.6394(3) 0.0414(13) Uani 1 1 d . . . . .
H24 H 1.1033 0.5303 0.5920 0.050 Uiso 1 1 calc R . . . .
C25 C 0.9777(5) 0.4845(5) 0.6727(3) 0.0362(12) Uani 1 1 d . . . . .
H25 H 0.9015 0.5006 0.6470 0.043 Uiso 1 1 calc R . . . .
C26 C 0.7499(5) 0.5678(4) 0.7935(3) 0.0232(9) Uani 1 1 d . . . . .
C27 C 0.8681(6) 0.6710(4) 0.8094(4) 0.0433(14) Uani 1 1 d . . . . .
H27 H 0.9608 0.6710 0.8215 0.052 Uiso 1 1 calc R . . . .
C28 C 0.8547(6) 0.7748(5) 0.8083(4) 0.0474(15) Uani 1 1 d . . . . .
H28 H 0.9372 0.8426 0.8186 0.057 Uiso 1 1 calc R . . . .
C29 C 0.7179(6) 0.7763(5) 0.7917(3) 0.0343(12) Uani 1 1 d . . . . .
H29 H 0.7073 0.8453 0.7913 0.041 Uiso 1 1 calc R . . . .
C30 C 0.5976(6) 0.6752(5) 0.7758(3) 0.0311(11) Uani 1 1 d . . . . .
H30 H 0.5053 0.6763 0.7643 0.037 Uiso 1 1 calc R . . . .
C31 C 0.6115(5) 0.5717(4) 0.7765(3) 0.0269(10) Uani 1 1 d . . . . .
H31 H 0.5287 0.5041 0.7658 0.032 Uiso 1 1 calc R . . . .
C32 C 0.5701(6) 0.3364(4) 0.6279(3) 0.0340(12) Uani 1 1 d . . . . .
H32A H 0.5829 0.4134 0.6468 0.041 Uiso 1 1 calc R . . . .
H32B H 0.6602 0.3413 0.6131 0.041 Uiso 1 1 calc R . . . .
C33 C 0.4519(5) 0.2938(4) 0.5558(3) 0.0234(9) Uani 1 1 d . . . . .
C34 C 0.4631(5) 0.3513(4) 0.4908(3) 0.0280(10) Uani 1 1 d . . . . .
H34 H 0.5399 0.4215 0.4940 0.034 Uiso 1 1 calc R . . . .
C35 C 0.3618(6) 0.3054(5) 0.4219(3) 0.0336(12) Uani 1 1 d . . . . .
H35 H 0.3704 0.3458 0.3796 0.040 Uiso 1 1 calc R . . . .
C36 C 0.2481(5) 0.2006(5) 0.4148(3) 0.0315(11) Uani 1 1 d . . . . .
H36 H 0.1830 0.1687 0.3676 0.038 Uiso 1 1 calc R . . . .
C37 C 0.2321(5) 0.1429(4) 0.4797(3) 0.0246(10) Uani 1 1 d . . . . .
H37 H 0.1557 0.0723 0.4760 0.030 Uiso 1 1 calc R . . . .
C38 C 0.3323(5) 0.1922(4) 0.5502(2) 0.0196(9) Uani 1 1 d . . . . .
C39 C 0.1557(4) 0.1221(4) 0.6674(2) 0.0191(9) Uani 1 1 d . . . . .
C40 C 0.0628(6) 0.1631(5) 0.6248(3) 0.0325(11) Uani 1 1 d . . . . .
H40 H 0.0832 0.1920 0.5789 0.039 Uiso 1 1 calc R . . . .
C41 C -0.0611(6) 0.1614(5) 0.6503(3) 0.0409(14) Uani 1 1 d . . . . .
H41 H -0.1225 0.1894 0.6215 0.049 Uiso 1 1 calc R . . . .
C42 C -0.0932(6) 0.1183(5) 0.7180(3) 0.0346(12) Uani 1 1 d . . . . .
H42 H -0.1760 0.1170 0.7348 0.042 Uiso 1 1 calc R . . . .
C43 C -0.0017(5) 0.0770(4) 0.7605(3) 0.0307(11) Uani 1 1 d . . . . .
H43 H -0.0238 0.0463 0.8056 0.037 Uiso 1 1 calc R . . . .
C44 C 0.1241(5) 0.0812(4) 0.7361(3) 0.0286(11) Uani 1 1 d . . . . .
H44 H 0.1875 0.0562 0.7663 0.034 Uiso 1 1 calc R . . . .
C45 C 0.2831(5) -0.0220(4) 0.6013(2) 0.0210(9) Uani 1 1 d . . . . .
C46 C 0.1479(5) -0.1112(4) 0.5939(3) 0.0272(10) Uani 1 1 d . . . . .
H46 H 0.0723 -0.0984 0.6108 0.033 Uiso 1 1 calc R . . . .
C47 C 0.1268(6) -0.2198(4) 0.5610(3) 0.0353(12) Uani 1 1 d . . . . .
H47 H 0.0365 -0.2796 0.5559 0.042 Uiso 1 1 calc R . . . .
C48 C 0.2379(7) -0.2400(5) 0.5359(3) 0.0399(13) Uani 1 1 d . . . . .
H48 H 0.2222 -0.3128 0.5137 0.048 Uiso 1 1 calc R . . . .
C49 C 0.3739(6) -0.1511(4) 0.5437(3) 0.0369(12) Uani 1 1 d . . . . .
H49 H 0.4492 -0.1647 0.5271 0.044 Uiso 1 1 calc R . . . .
C50 C 0.3964(6) -0.0432(4) 0.5762(3) 0.0303(11) Uani 1 1 d . . . . .
H50 H 0.4872 0.0161 0.5816 0.036 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Sn1 2.5694(3) . ?
Pt1 P1 2.3007(11) . ?
Pt1 P2 2.3060(11) . ?
Pt1 C32 2.119(5) . ?
Sn1 C19 2.189(4) . ?
Sn1 C20 2.166(4) . ?
Sn1 C26 2.151(4) . ?
P1 C1 1.831(4) . ?
P1 C7 1.826(4) . ?
P1 C13 1.861(4) . ?
P2 C38 1.824(4) . ?
P2 C39 1.840(4) . ?
P2 C45 1.817(5) . ?
C1 C2 1.391(6) . ?
C1 C6 1.395(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.390(6) . ?
C3 H3 0.9300 . ?
C3 C4 1.393(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.376(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.380(7) . ?
C6 H6 0.9300 . ?
C7 C8 1.386(6) . ?
C7 C12 1.386(6) . ?
C8 H8 0.9300 . ?
C8 C9 1.394(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.387(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.381(7) . ?
C11 H11 0.9300 . ?
C11 C12 1.392(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.396(6) . ?
C13 C18 1.420(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.387(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.388(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.381(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.395(6) . ?
C18 C19 1.500(6) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.371(7) . ?
C20 C25 1.394(7) . ?
C21 H21 0.9300 . ?
C21 C22 1.398(7) . ?
C22 H22 0.9300 . ?
C22 C23 1.375(8) . ?
C23 H23 0.9300 . ?
C23 C24 1.366(8) . ?
C24 H24 0.9300 . ?
C24 C25 1.398(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.378(7) . ?
C26 C31 1.407(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.386(7) . ?
C28 H28 0.9300 . ?
C28 C29 1.379(8) . ?
C29 H29 0.9300 . ?
C29 C30 1.372(8) . ?
C30 H30 0.9300 . ?
C30 C31 1.386(7) . ?
C31 H31 0.9300 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 C33 1.502(7) . ?
C33 C34 1.396(6) . ?
C33 C38 1.386(6) . ?
C34 H34 0.9300 . ?
C34 C35 1.382(7) . ?
C35 H35 0.9300 . ?
C35 C36 1.380(7) . ?
C36 H36 0.9300 . ?
C36 C37 1.396(7) . ?
C37 H37 0.9300 . ?
C37 C38 1.402(6) . ?
C39 C40 1.387(6) . ?
C39 C44 1.385(6) . ?
C40 H40 0.9300 . ?
C40 C41 1.394(7) . ?
C41 H41 0.9300 . ?
C41 C42 1.379(7) . ?
C42 H42 0.9300 . ?
C42 C43 1.378(7) . ?
C43 H43 0.9300 . ?
C43 C44 1.394(6) . ?
C44 H44 0.9300 . ?
C45 C46 1.390(6) . ?
C45 C50 1.405(6) . ?
C46 H46 0.9300 . ?
C46 C47 1.392(7) . ?
C47 H47 0.9300 . ?
C47 C48 1.378(8) . ?
C48 H48 0.9300 . ?
C48 C49 1.393(8) . ?
C49 H49 0.9300 . ?
C49 C50 1.378(7) . ?
C50 H50 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pt1 Sn1 87.79(3) . . ?
P1 Pt1 P2 106.37(4) . . ?
P2 Pt1 Sn1 164.48(3) . . ?
C32 Pt1 Sn1 82.26(14) . . ?
C32 Pt1 P1 170.05(14) . . ?
C32 Pt1 P2 83.49(14) . . ?
C19 Sn1 Pt1 110.00(12) . . ?
C20 Sn1 Pt1 118.44(12) . . ?
C20 Sn1 C19 106.99(17) . . ?
C26 Sn1 Pt1 112.14(12) . . ?
C26 Sn1 C19 105.59(17) . . ?
C26 Sn1 C20 102.73(17) . . ?
C1 P1 Pt1 116.15(14) . . ?
C1 P1 C13 101.45(19) . . ?
C7 P1 Pt1 111.35(15) . . ?
C7 P1 C1 104.5(2) . . ?
C7 P1 C13 101.92(19) . . ?
C13 P1 Pt1 119.54(14) . . ?
C38 P2 Pt1 103.36(15) . . ?
C38 P2 C39 105.2(2) . . ?
C39 P2 Pt1 116.59(14) . . ?
C45 P2 Pt1 122.32(14) . . ?
C45 P2 C38 102.00(19) . . ?
C45 P2 C39 105.1(2) . . ?
C2 C1 P1 116.5(3) . . ?
C2 C1 C6 119.2(4) . . ?
C6 C1 P1 124.3(4) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 C1 120.5(4) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 120.2 . . ?
C2 C3 C4 119.7(5) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.6(5) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.5 . . ?
C4 C5 C6 121.1(5) . . ?
C6 C5 H5 119.5 . . ?
C1 C6 H6 120.1 . . ?
C5 C6 C1 119.9(5) . . ?
C5 C6 H6 120.1 . . ?
C8 C7 P1 119.5(3) . . ?
C8 C7 C12 119.1(4) . . ?
C12 C7 P1 121.4(3) . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0(4) . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.6(4) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 120.3 . . ?
C11 C10 C9 119.4(4) . . ?
C11 C10 H10 120.3 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(5) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 C11 120.8(5) . . ?
C7 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C14 C13 P1 119.3(3) . . ?
C14 C13 C18 119.1(4) . . ?
C18 C13 P1 121.6(3) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 C13 122.0(4) . . ?
C15 C14 H14 119.0 . . ?
C14 C15 H15 120.5 . . ?
C14 C15 C16 119.0(4) . . ?
C16 C15 H15 120.5 . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.7(4) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 118.7 . . ?
C16 C17 C18 122.7(4) . . ?
C18 C17 H17 118.7 . . ?
C13 C18 C19 123.5(4) . . ?
C17 C18 C13 117.6(4) . . ?
C17 C18 C19 118.9(4) . . ?
Sn1 C19 H19A 109.2 . . ?
Sn1 C19 H19B 109.2 . . ?
C18 C19 Sn1 112.0(3) . . ?
C18 C19 H19A 109.2 . . ?
C18 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
C21 C20 Sn1 122.1(4) . . ?
C21 C20 C25 117.6(4) . . ?
C25 C20 Sn1 120.2(3) . . ?
C20 C21 H21 119.4 . . ?
C20 C21 C22 121.2(5) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.7(5) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.5 . . ?
C24 C23 C22 119.0(5) . . ?
C24 C23 H23 120.5 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.4(5) . . ?
C25 C24 H24 119.8 . . ?
C20 C25 C24 121.1(5) . . ?
C20 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C27 C26 Sn1 122.0(3) . . ?
C27 C26 C31 116.8(4) . . ?
C31 C26 Sn1 121.2(3) . . ?
C26 C27 H27 118.6 . . ?
C26 C27 C28 122.8(5) . . ?
C28 C27 H27 118.6 . . ?
C27 C28 H28 120.4 . . ?
C29 C28 C27 119.3(5) . . ?
C29 C28 H28 120.4 . . ?
C28 C29 H29 120.2 . . ?
C30 C29 C28 119.6(5) . . ?
C30 C29 H29 120.2 . . ?
C29 C30 H30 119.5 . . ?
C29 C30 C31 120.9(5) . . ?
C31 C30 H30 119.5 . . ?
C26 C31 H31 119.7 . . ?
C30 C31 C26 120.6(5) . . ?
C30 C31 H31 119.7 . . ?
Pt1 C32 H32A 108.0 . . ?
Pt1 C32 H32B 108.0 . . ?
H32A C32 H32B 107.2 . . ?
C33 C32 Pt1 117.2(3) . . ?
C33 C32 H32A 108.0 . . ?
C33 C32 H32B 108.0 . . ?
C34 C33 C32 121.3(4) . . ?
C38 C33 C32 120.7(4) . . ?
C38 C33 C34 117.9(4) . . ?
C33 C34 H34 119.5 . . ?
C35 C34 C33 121.0(5) . . ?
C35 C34 H34 119.5 . . ?
C34 C35 H35 119.5 . . ?
C36 C35 C34 120.9(4) . . ?
C36 C35 H35 119.5 . . ?
C35 C36 H36 120.4 . . ?
C35 C36 C37 119.1(4) . . ?
C37 C36 H36 120.4 . . ?
C36 C37 H37 120.3 . . ?
C36 C37 C38 119.5(4) . . ?
C38 C37 H37 120.3 . . ?
C33 C38 P2 115.0(3) . . ?
C33 C38 C37 121.3(4) . . ?
C37 C38 P2 123.6(3) . . ?
C40 C39 P2 122.9(3) . . ?
C44 C39 P2 118.4(3) . . ?
C44 C39 C40 118.7(4) . . ?
C39 C40 H40 119.8 . . ?
C39 C40 C41 120.4(4) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 119.8 . . ?
C42 C41 C40 120.4(5) . . ?
C42 C41 H41 119.8 . . ?
C41 C42 H42 120.2 . . ?
C43 C42 C41 119.5(4) . . ?
C43 C42 H42 120.2 . . ?
C42 C43 H43 119.9 . . ?
C42 C43 C44 120.2(4) . . ?
C44 C43 H43 119.9 . . ?
C39 C44 C43 120.7(4) . . ?
C39 C44 H44 119.6 . . ?
C43 C44 H44 119.6 . . ?
C46 C45 P2 124.1(3) . . ?
C46 C45 C50 119.5(4) . . ?
C50 C45 P2 116.3(4) . . ?
C45 C46 H46 120.3 . . ?
C45 C46 C47 119.4(5) . . ?
C47 C46 H46 120.3 . . ?
C46 C47 H47 119.6 . . ?
C48 C47 C46 120.9(5) . . ?
C48 C47 H47 119.6 . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C49 120.0(5) . . ?
C49 C48 H48 120.0 . . ?
C48 C49 H49 120.1 . . ?
C50 C49 C48 119.8(5) . . ?
C50 C49 H49 120.1 . . ?
C45 C50 H50 119.8 . . ?
C49 C50 C45 120.4(5) . . ?
C49 C50 H50 119.8 . . ?

_olex2_date_sample_data_collection 2015-08-12
_olex2_submission_special_instructions 'No special instructions were received'

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

data_4
_database_code_depnum_ccdc_archive 'CCDC 1909931'
loop_
_audit_author_name
_audit_author_address
'Miguel-Angel Munoz-Hernandez'
;Universidad Autonoma del Estado de Morelos
Mexico
;
_audit_update_record             
;
2019-04-13 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;

#------------------ AUDIT DETAILS -------------------------------------------#

_audit_creation_date             2014-10-17
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

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

_chemical_name_systematic        
;
 ?
;
_chemical_formula_sum            'C55 H46 P2 Pt Sn'
_chemical_formula_weight         1082.64

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

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1200(6)
_cell_length_b                   13.4335(11)
_cell_length_c                   16.6547(13)
_cell_angle_alpha                87.478(7)
_cell_angle_beta                 80.408(6)
_cell_angle_gamma                76.369(6)
_cell_volume                     2169.6(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    130(2)
_cell_measurement_reflns_used    4260
_cell_measurement_theta_min      3.3644
_cell_measurement_theta_max      29.4315

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

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.1238
_exptl_crystal_size_mid          0.0248
_exptl_crystal_size_min          0.0248
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_F_000             1068
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 13 -17 0.0124
10 13 -8 0.0418
1 14 16 0.0124
-10 -13 8 0.0418
-1 -14 -16 0.0124
-14 -4 -6 0.0597
14 4 6 0.0597
0 -13 17 0.0124

_exptl_special_details           
;
 ?
;

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

_exptl_absorpt_coefficient_mu    3.908
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_T_max  0.918

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

_diffrn_ambient_temperature      130(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_detector_area_resol_mean 10.4685
_diffrn_orient_matrix_ub_11      -0.0119976
_diffrn_orient_matrix_ub_12      0.034028
_diffrn_orient_matrix_ub_13      -0.0331876
_diffrn_orient_matrix_ub_21      -0.0247052
_diffrn_orient_matrix_ub_22      0.0416626
_diffrn_orient_matrix_ub_23      0.0274356
_diffrn_orient_matrix_ub_31      0.0677147
_diffrn_orient_matrix_ub_32      0.0076358
_diffrn_orient_matrix_ub_33      -0.0033652
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_unetI/netI     0.1296
_diffrn_reflns_number            19226
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.364
_diffrn_reflns_theta_max         29.432
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.843
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.843
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.843
_reflns_number_total             10111
_reflns_number_gt                6939
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
;
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'

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

_atom_sites_solution_hydrogens   geom

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

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         10111
_refine_ls_number_parameters     532
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0483
_refine_ls_wR_factor_ref         0.0721
_refine_ls_wR_factor_gt          0.0607
_refine_ls_goodness_of_fit_ref   0.864
_refine_ls_restrained_S_all      0.864
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.427
_refine_diff_density_min         -1.34
_refine_diff_density_rms         0.193

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

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.22888(2) 0.84550(2) 0.23408(2) 0.01455(7) Uani 1 d . .
Sn1 Sn 0.25917(4) 0.65456(4) 0.27937(2) 0.01771(11) Uani 1 d . .
P2 P 0.46112(15) 0.82712(13) 0.20114(9) 0.0145(4) Uani 1 d . .
P1 P 0.14201(15) 1.01835(13) 0.23144(9) 0.0147(3) Uani 1 d . .
C38 C 0.4458(6) 0.5360(5) 0.2794(4) 0.0241(16) Uani 1 d . .
C28 C 0.5541(7) 0.7512(5) 0.4274(4) 0.0263(17) Uani 1 d . .
H28 H 0.5081 0.7666 0.4815 0.032 Uiso 1 calc . .
C36 C 0.5056(7) 0.6433(6) 0.0040(4) 0.0302(17) Uani 1 d . .
H36 H 0.4493 0.6078 -0.0183 0.036 Uiso 1 calc . .
C10 C -0.0434(6) 1.2068(5) 0.0612(4) 0.0264(16) Uani 1 d . .
H10 H -0.1126 1.2683 0.0604 0.032 Uiso 1 calc . .
C29 C 0.6871(7) 0.6921(6) 0.4139(4) 0.0312(18) Uani 1 d . .
H29 H 0.7326 0.6664 0.4586 0.037 Uiso 1 calc . .
C41 C 0.6768(8) 0.3743(7) 0.2804(6) 0.055(3) Uani 1 d . .
H41 H 0.754 0.3183 0.281 0.066 Uiso 1 calc . .
C15 C 0.2629(6) 1.1887(5) 0.2320(4) 0.0254(16) Uani 1 d . .
H15 H 0.2377 1.2066 0.1799 0.03 Uiso 1 calc . .
C20 C 0.5292(5) 0.9418(5) 0.1769(3) 0.0151(13) Uani 1 d . .
C9 C -0.0067(6) 1.1680(5) 0.1337(4) 0.0230(15) Uani 1 d . .
H9 H -0.0501 1.2033 0.1828 0.028 Uiso 1 calc . .
C52 C 0.0188(7) 0.5677(6) 0.1047(4) 0.040(2) Uani 1 d . .
H52 H -0.0085 0.595 0.0549 0.048 Uiso 1 calc . .
C6 C -0.0906(6) 1.1191(5) 0.3436(3) 0.0214(15) Uani 1 d . .
H6 H -0.0599 1.1808 0.3338 0.026 Uiso 1 calc . .
C33 C 0.6668(6) 0.7474(5) 0.0678(4) 0.0250(16) Uani 1 d . .
H33 H 0.7226 0.7841 0.0892 0.03 Uiso 1 calc . .
C37 C 0.4539(6) 0.6988(5) 0.0745(3) 0.0205(15) Uani 1 d . .
H37 H 0.3621 0.7013 0.1004 0.025 Uiso 1 calc . .
C5 C -0.2080(6) 1.1176(6) 0.4005(4) 0.0288(17) Uani 1 d . .
H5 H -0.2582 1.1779 0.4293 0.035 Uiso 1 calc . .
C31 C 0.6873(6) 0.7070(5) 0.2701(4) 0.0236(16) Uani 1 d . .
H31 H 0.7335 0.6895 0.2164 0.028 Uiso 1 calc . .
C7 C -0.0187(6) 1.0318(5) 0.3015(3) 0.0139(13) Uani 1 d . .
C30 C 0.7532(6) 0.6707(6) 0.3355(4) 0.0287(17) Uani 1 d . .
H30 H 0.845 0.6306 0.3262 0.034 Uiso 1 calc . .
C22 C 0.5407(6) 1.0891(5) 0.0891(4) 0.0229(15) Uani 1 d . .
H22 H 0.5163 1.1286 0.0428 0.027 Uiso 1 calc . .
C25 C 0.6088(6) 0.9763(5) 0.2253(4) 0.0228(15) Uani 1 d . .
H25 H 0.6326 0.9384 0.2724 0.027 Uiso 1 calc . .
C14 C 0.2305(6) 1.1032(5) 0.2731(3) 0.0179(14) Uani 1 d . .
C21 C 0.4960(6) 1.0003(5) 0.1081(3) 0.0199(15) Uani 1 d . .
H21 H 0.4418 0.9784 0.074 0.024 Uiso 1 calc . .
C3 C -0.1796(6) 0.9401(5) 0.3713(4) 0.0220(15) Uani 1 d . .
H3 H -0.2103 0.8784 0.3817 0.026 Uiso 1 calc . .
C51 C 0.0990(7) 0.6140(6) 0.1427(4) 0.0310(18) Uani 1 d . .
H51 H 0.1257 0.6732 0.1187 0.037 Uiso 1 calc . .
C23 C 0.6205(6) 1.1202(5) 0.1374(4) 0.0255(16) Uani 1 d . .
H23 H 0.6531 1.1805 0.1235 0.031 Uiso 1 calc . .
C4 C -0.2495(6) 1.0272(6) 0.4140(4) 0.0276(17) Uani 1 d . .
H4 H -0.328 1.0249 0.4537 0.033 Uiso 1 calc . .
C26 C 0.5548(5) 0.7684(5) 0.2819(3) 0.0134(13) Uani 1 d . .
C45 C 0.1650(7) 0.5674(6) 0.4544(4) 0.0324(18) Uani 1 d . .
H45 H 0.2186 0.5032 0.4336 0.039 Uiso 1 calc . .
C47 C 0.0101(8) 0.6639(7) 0.5621(4) 0.038(2) Uani 1 d . .
H47 H -0.0442 0.6672 0.6147 0.046 Uiso 1 calc . .
C46 C 0.0912(8) 0.5724(7) 0.5322(4) 0.040(2) Uani 1 d . .
H46 H 0.0968 0.5124 0.565 0.048 Uiso 1 calc . .
C11 C 0.0183(7) 1.1579(6) -0.0097(4) 0.0277(17) Uani 1 d . .
H11 H -0.0066 1.1862 -0.0598 0.033 Uiso 1 calc . .
C19 C 0.2688(6) 1.0791(5) 0.3492(4) 0.0245(16) Uani 1 d . .
H19 H 0.2474 1.0207 0.3778 0.029 Uiso 1 calc . .
C8 C 0.0930(6) 1.0779(5) 0.1364(3) 0.0160(14) Uani 1 d . .
C32 C 0.5341(6) 0.7510(5) 0.1083(3) 0.0149(13) Uani 1 d . .
C27 C 0.4878(6) 0.7880(5) 0.3626(3) 0.0195(14) Uani 1 d . .
H27 H 0.3954 0.8272 0.3726 0.023 Uiso 1 calc . .
C2 C -0.0645(6) 0.9417(5) 0.3131(3) 0.0157(14) Uani 1 d . .
C44 C 0.1627(6) 0.6538(5) 0.4060(4) 0.0214(15) Uani 1 d . .
C48 C 0.0080(7) 0.7490(6) 0.5160(4) 0.0375(19) Uani 1 d . .
H48 H -0.0475 0.8126 0.5371 0.045 Uiso 1 calc . .
C49 C 0.0841(6) 0.7463(6) 0.4392(4) 0.0296(17) Uani 1 d . .
H49 H 0.0829 0.8079 0.4088 0.036 Uiso 1 calc . .
C35 C 0.6377(7) 0.6389(5) -0.0344(4) 0.0296(17) Uani 1 d . .
H35 H 0.6734 0.5998 -0.0826 0.035 Uiso 1 calc . .
C24 C 0.6537(6) 1.0653(5) 0.2055(4) 0.0291(17) Uani 1 d . .
H24 H 0.7075 1.0884 0.2391 0.035 Uiso 1 calc . .
C39 C 0.5104(7) 0.4814(6) 0.2097(5) 0.0345(18) Uani 1 d . .
H39 H 0.4757 0.4994 0.1601 0.041 Uiso 1 calc . .
C50 C 0.1420(6) 0.5763(5) 0.2154(4) 0.0213(15) Uani 1 d . .
C55 C 0.1006(7) 0.4898(5) 0.2466(4) 0.0316(18) Uani 1 d . .
H55 H 0.1292 0.4609 0.2957 0.038 Uiso 1 calc . .
C17 C 0.3701(6) 1.2236(6) 0.3432(4) 0.0319(18) Uani 1 d . .
H17 H 0.418 1.2644 0.3672 0.038 Uiso 1 calc . .
C12 C 0.1160(6) 1.0681(6) -0.0095(4) 0.0272(17) Uani 1 d . .
H12 H 0.1587 1.0341 -0.0593 0.033 Uiso 1 calc . .
C13 C 0.1525(6) 1.0269(5) 0.0633(4) 0.0223(15) Uani 1 d . .
H13 H 0.2185 0.9635 0.0637 0.027 Uiso 1 calc . .
C34 C 0.7190(6) 0.6921(6) -0.0022(4) 0.0287(17) Uani 1 d . .
H34 H 0.8103 0.6902 -0.0287 0.034 Uiso 1 calc . .
C18 C 0.3370(6) 1.1388(6) 0.3836(4) 0.0300(18) Uani 1 d . .
H18 H 0.3618 1.1215 0.4358 0.036 Uiso 1 calc . .
C53 C -0.0217(7) 0.4835(6) 0.1376(4) 0.038(2) Uani 1 d . .
H53 H -0.0781 0.4525 0.1114 0.046 Uiso 1 calc . .
C43 C 0.5027(7) 0.5094(6) 0.3497(4) 0.0353(19) Uani 1 d . .
H43 H 0.4627 0.5467 0.3984 0.042 Uiso 1 calc . .
C16 C 0.3330(6) 1.2484(5) 0.2680(4) 0.0281(17) Uani 1 d . .
H16 H 0.3553 1.3069 0.24 0.034 Uiso 1 calc . .
C54 C 0.0193(8) 0.4436(6) 0.2091(4) 0.044(2) Uani 1 d . .
H54 H -0.0081 0.3844 0.2326 0.053 Uiso 1 calc . .
C40 C 0.6248(8) 0.4008(6) 0.2105(5) 0.043(2) Uani 1 d . .
H40 H 0.6669 0.364 0.1619 0.051 Uiso 1 calc . .
C42 C 0.6178(8) 0.4285(7) 0.3498(6) 0.050(2) Uani 1 d . .
H42 H 0.6554 0.4109 0.3986 0.06 Uiso 1 calc . .
C1 C 0.0145(6) 0.8499(5) 0.2605(4) 0.0214(15) Uani 1 d . .
H1A H -0.0227 0.8533 0.2089 0.026 Uiso 1 calc . .
H1B H 0.001 0.786 0.2892 0.026 Uiso 1 calc . .



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

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 2.128(5) . ?
Pt1 P2 2.2791(14) . ?
Pt1 P1 2.2822(17) . ?
Pt1 Sn1 2.6036(5) . ?
Sn1 C38 2.165(7) . ?
Sn1 C44 2.172(6) . ?
Sn1 C50 2.180(6) . ?
P2 C26 1.819(6) . ?
P2 C20 1.834(6) . ?
P2 C32 1.840(6) . ?
P1 C7 1.813(6) . ?
P1 C14 1.828(6) . ?
P1 C8 1.831(6) . ?
C38 C39 1.382(10) . ?
C38 C43 1.386(8) . ?
C28 C27 1.378(8) . ?
C28 C29 1.379(9) . ?
C28 H28 0.95 . ?
C36 C35 1.372(8) . ?
C36 C37 1.378(9) . ?
C36 H36 0.95 . ?
C10 C11 1.358(9) . ?
C10 C9 1.368(8) . ?
C10 H10 0.95 . ?
C29 C30 1.373(9) . ?
C29 H29 0.95 . ?
C41 C40 1.355(10) . ?
C41 C42 1.365(12) . ?
C41 H41 0.95 . ?
C15 C14 1.389(8) . ?
C15 C16 1.399(8) . ?
C15 H15 0.95 . ?
C20 C25 1.393(7) . ?
C20 C21 1.403(8) . ?
C9 C8 1.386(9) . ?
C9 H9 0.95 . ?
C52 C53 1.355(9) . ?
C52 C51 1.375(8) . ?
C52 H52 0.95 . ?
C6 C7 1.377(9) . ?
C6 C5 1.395(8) . ?
C6 H6 0.95 . ?
C33 C34 1.370(9) . ?
C33 C32 1.389(7) . ?
C33 H33 0.95 . ?
C37 C32 1.386(7) . ?
C37 H37 0.95 . ?
C5 C4 1.374(9) . ?
C5 H5 0.95 . ?
C31 C30 1.382(8) . ?
C31 C26 1.386(8) . ?
C31 H31 0.95 . ?
C7 C2 1.390(8) . ?
C30 H30 0.95 . ?
C22 C23 1.371(8) . ?
C22 C21 1.379(8) . ?
C22 H22 0.95 . ?
C25 C24 1.385(8) . ?
C25 H25 0.95 . ?
C14 C19 1.389(8) . ?
C21 H21 0.95 . ?
C3 C4 1.376(9) . ?
C3 C2 1.390(7) . ?
C3 H3 0.95 . ?
C51 C50 1.389(8) . ?
C51 H51 0.95 . ?
C23 C24 1.371(8) . ?
C23 H23 0.95 . ?
C4 H4 0.95 . ?
C26 C27 1.408(8) . ?
C45 C46 1.379(9) . ?
C45 C44 1.381(8) . ?
C45 H45 0.95 . ?
C47 C48 1.347(10) . ?
C47 C46 1.369(11) . ?
C47 H47 0.95 . ?
C46 H46 0.95 . ?
C11 C12 1.368(9) . ?
C11 H11 0.95 . ?
C19 C18 1.371(8) . ?
C19 H19 0.95 . ?
C8 C13 1.396(8) . ?
C27 H27 0.95 . ?
C2 C1 1.525(9) . ?
C44 C49 1.389(9) . ?
C48 C49 1.375(9) . ?
C48 H48 0.95 . ?
C49 H49 0.95 . ?
C35 C34 1.389(8) . ?
C35 H35 0.95 . ?
C24 H24 0.95 . ?
C39 C40 1.388(10) . ?
C39 H39 0.95 . ?
C50 C55 1.379(8) . ?
C55 C54 1.377(8) . ?
C55 H55 0.95 . ?
C17 C16 1.372(8) . ?
C17 C18 1.377(9) . ?
C17 H17 0.95 . ?
C12 C13 1.381(8) . ?
C12 H12 0.95 . ?
C13 H13 0.95 . ?
C34 H34 0.95 . ?
C18 H18 0.95 . ?
C53 C54 1.372(9) . ?
C53 H53 0.95 . ?
C43 C42 1.393(11) . ?
C43 H43 0.95 . ?
C16 H16 0.95 . ?
C54 H54 0.95 . ?
C40 H40 0.95 . ?
C42 H42 0.95 . ?
C1 H1A 0.99 . ?
C1 H1B 0.99 . ?

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
C1 Pt1 P2 175.04(19) . . ?
C1 Pt1 P1 80.27(18) . . ?
P2 Pt1 P1 104.14(5) . . ?
C1 Pt1 Sn1 84.46(17) . . ?
P2 Pt1 Sn1 91.71(4) . . ?
P1 Pt1 Sn1 160.19(4) . . ?
C38 Sn1 C44 101.7(2) . . ?
C38 Sn1 C50 100.4(2) . . ?
C44 Sn1 C50 104.4(2) . . ?
C38 Sn1 Pt1 129.58(14) . . ?
C44 Sn1 Pt1 106.99(18) . . ?
C50 Sn1 Pt1 111.18(17) . . ?
C26 P2 C20 102.0(2) . . ?
C26 P2 C32 107.8(3) . . ?
C20 P2 C32 101.2(3) . . ?
C26 P2 Pt1 113.29(17) . . ?
C20 P2 Pt1 118.9(2) . . ?
C32 P2 Pt1 112.37(17) . . ?
C7 P1 C14 103.8(3) . . ?
C7 P1 C8 105.1(3) . . ?
C14 P1 C8 106.4(3) . . ?
C7 P1 Pt1 101.6(2) . . ?
C14 P1 Pt1 119.3(2) . . ?
C8 P1 Pt1 118.5(2) . . ?
C39 C38 C43 117.3(7) . . ?
C39 C38 Sn1 121.1(5) . . ?
C43 C38 Sn1 121.5(5) . . ?
C27 C28 C29 120.1(6) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C35 C36 C37 120.4(6) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C11 C10 C9 120.5(7) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C30 C29 C28 119.7(6) . . ?
C30 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
C40 C41 C42 119.8(8) . . ?
C40 C41 H41 120.1 . . ?
C42 C41 H41 120.1 . . ?
C14 C15 C16 119.5(6) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C25 C20 C21 117.9(5) . . ?
C25 C20 P2 123.1(4) . . ?
C21 C20 P2 119.0(4) . . ?
C10 C9 C8 120.8(6) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C53 C52 C51 120.7(7) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C7 C6 C5 120.5(6) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C34 C33 C32 121.5(6) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C36 C37 C32 120.9(5) . . ?
C36 C37 H37 119.5 . . ?
C32 C37 H37 119.5 . . ?
C4 C5 C6 118.6(7) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C30 C31 C26 120.9(6) . . ?
C30 C31 H31 119.5 . . ?
C26 C31 H31 119.5 . . ?
C6 C7 C2 120.6(5) . . ?
C6 C7 P1 126.0(4) . . ?
C2 C7 P1 113.4(5) . . ?
C29 C30 C31 120.6(6) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 H30 119.7 . . ?
C23 C22 C21 119.7(6) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C24 C25 C20 120.6(6) . . ?
C24 C25 H25 119.7 . . ?
C20 C25 H25 119.7 . . ?
C15 C14 C19 118.9(6) . . ?
C15 C14 P1 123.4(5) . . ?
C19 C14 P1 117.7(4) . . ?
C22 C21 C20 121.0(5) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C4 C3 C2 120.4(6) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C52 C51 C50 121.5(6) . . ?
C52 C51 H51 119.2 . . ?
C50 C51 H51 119.2 . . ?
C24 C23 C22 120.7(6) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C5 C4 C3 121.2(6) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C31 C26 C27 117.6(5) . . ?
C31 C26 P2 125.2(4) . . ?
C27 C26 P2 117.2(4) . . ?
C46 C45 C44 121.5(8) . . ?
C46 C45 H45 119.3 . . ?
C44 C45 H45 119.3 . . ?
C48 C47 C46 119.2(7) . . ?
C48 C47 H47 120.4 . . ?
C46 C47 H47 120.4 . . ?
C47 C46 C45 120.0(7) . . ?
C47 C46 H46 120 . . ?
C45 C46 H46 120 . . ?
C10 C11 C12 120.5(6) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C18 C19 C14 120.7(6) . . ?
C18 C19 H19 119.6 . . ?
C14 C19 H19 119.6 . . ?
C9 C8 C13 118.1(6) . . ?
C9 C8 P1 123.3(5) . . ?
C13 C8 P1 118.5(5) . . ?
C37 C32 C33 117.9(6) . . ?
C37 C32 P2 120.0(4) . . ?
C33 C32 P2 122.1(4) . . ?
C28 C27 C26 121.0(6) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C3 C2 C7 118.5(6) . . ?
C3 C2 C1 123.6(5) . . ?
C7 C2 C1 117.9(5) . . ?
C45 C44 C49 117.3(6) . . ?
C45 C44 Sn1 125.1(5) . . ?
C49 C44 Sn1 117.5(4) . . ?
C47 C48 C49 121.7(8) . . ?
C47 C48 H48 119.2 . . ?
C49 C48 H48 119.2 . . ?
C48 C49 C44 120.3(7) . . ?
C48 C49 H49 119.9 . . ?
C44 C49 H49 119.9 . . ?
C36 C35 C34 119.6(6) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C23 C24 C25 120.1(6) . . ?
C23 C24 H24 120 . . ?
C25 C24 H24 120 . . ?
C38 C39 C40 121.4(7) . . ?
C38 C39 H39 119.3 . . ?
C40 C39 H39 119.3 . . ?
C55 C50 C51 116.2(5) . . ?
C55 C50 Sn1 122.1(5) . . ?
C51 C50 Sn1 121.6(4) . . ?
C54 C55 C50 122.5(6) . . ?
C54 C55 H55 118.8 . . ?
C50 C55 H55 118.8 . . ?
C16 C17 C18 119.1(6) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
C11 C12 C13 119.8(6) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C8 120.3(7) . . ?
C12 C13 H13 119.8 . . ?
C8 C13 H13 119.8 . . ?
C33 C34 C35 119.7(6) . . ?
C33 C34 H34 120.2 . . ?
C35 C34 H34 120.2 . . ?
C19 C18 C17 120.9(6) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C52 C53 C54 119.5(6) . . ?
C52 C53 H53 120.3 . . ?
C54 C53 H53 120.3 . . ?
C38 C43 C42 120.8(8) . . ?
C38 C43 H43 119.6 . . ?
C42 C43 H43 119.6 . . ?
C17 C16 C15 120.9(6) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C53 C54 C55 119.6(6) . . ?
C53 C54 H54 120.2 . . ?
C55 C54 H54 120.2 . . ?
C41 C40 C39 120.3(8) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C41 C42 C43 120.4(8) . . ?
C41 C42 H42 119.8 . . ?
C43 C42 H42 119.8 . . ?
C2 C1 Pt1 111.7(4) . . ?
C2 C1 H1A 109.3 . . ?
Pt1 C1 H1A 109.3 . . ?
C2 C1 H1B 109.3 . . ?
Pt1 C1 H1B 109.3 . . ?
H1A C1 H1B 107.9 . . ?

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
C27 C28 C29 C30 0.4(10) . . . . ?
C26 P2 C20 C25 -11.8(6) . . . . ?
C32 P2 C20 C25 -122.9(5) . . . . ?
Pt1 P2 C20 C25 113.6(5) . . . . ?
C26 P2 C20 C21 170.7(5) . . . . ?
C32 P2 C20 C21 59.5(5) . . . . ?
Pt1 P2 C20 C21 -64.0(5) . . . . ?
C11 C10 C9 C8 -0.6(8) . . . . ?
C35 C36 C37 C32 -0.2(10) . . . . ?
C7 C6 C5 C4 0.5(9) . . . . ?
C5 C6 C7 C2 2.1(9) . . . . ?
C5 C6 C7 P1 -175.2(4) . . . . ?
C14 P1 C7 C6 32.5(6) . . . . ?
C8 P1 C7 C6 -79.0(6) . . . . ?
Pt1 P1 C7 C6 157.0(5) . . . . ?
C14 P1 C7 C2 -144.9(4) . . . . ?
C8 P1 C7 C2 103.6(4) . . . . ?
Pt1 P1 C7 C2 -20.5(4) . . . . ?
C28 C29 C30 C31 -0.6(10) . . . . ?
C26 C31 C30 C29 2.1(10) . . . . ?
C21 C20 C25 C24 -0.3(9) . . . . ?
P2 C20 C25 C24 -177.8(5) . . . . ?
C16 C15 C14 C19 0.0(10) . . . . ?
C16 C15 C14 P1 -178.9(5) . . . . ?
C7 P1 C14 C15 -116.7(5) . . . . ?
C8 P1 C14 C15 -6.2(6) . . . . ?
Pt1 P1 C14 C15 131.3(5) . . . . ?
C7 P1 C14 C19 64.4(5) . . . . ?
C8 P1 C14 C19 174.9(5) . . . . ?
Pt1 P1 C14 C19 -47.6(5) . . . . ?
C23 C22 C21 C20 0.9(10) . . . . ?
C25 C20 C21 C22 0.0(9) . . . . ?
P2 C20 C21 C22 177.6(5) . . . . ?
C53 C52 C51 C50 0.4(12) . . . . ?
C21 C22 C23 C24 -1.6(10) . . . . ?
C6 C5 C4 C3 -1.6(9) . . . . ?
C2 C3 C4 C5 0.0(9) . . . . ?
C30 C31 C26 C27 -3.1(9) . . . . ?
C30 C31 C26 P2 176.1(4) . . . . ?
C20 P2 C26 C31 -82.1(6) . . . . ?
C32 P2 C26 C31 23.9(6) . . . . ?
Pt1 P2 C26 C31 148.9(5) . . . . ?
C20 P2 C26 C27 97.1(5) . . . . ?
C32 P2 C26 C27 -156.9(4) . . . . ?
Pt1 P2 C26 C27 -31.9(5) . . . . ?
C48 C47 C46 C45 -2.8(11) . . . . ?
C44 C45 C46 C47 2.1(11) . . . . ?
C9 C10 C11 C12 1.3(9) . . . . ?
C15 C14 C19 C18 0.2(10) . . . . ?
P1 C14 C19 C18 179.2(5) . . . . ?
C10 C9 C8 C13 -1.3(8) . . . . ?
C10 C9 C8 P1 -177.2(4) . . . . ?
C7 P1 C8 C9 40.8(5) . . . . ?
C14 P1 C8 C9 -68.9(5) . . . . ?
Pt1 P1 C8 C9 153.3(4) . . . . ?
C7 P1 C8 C13 -135.1(4) . . . . ?
C14 P1 C8 C13 115.3(4) . . . . ?
Pt1 P1 C8 C13 -22.6(5) . . . . ?
C36 C37 C32 C33 1.4(9) . . . . ?
C36 C37 C32 P2 178.5(5) . . . . ?
C34 C33 C32 C37 -1.6(9) . . . . ?
C34 C33 C32 P2 -178.6(5) . . . . ?
C26 P2 C32 C37 115.2(5) . . . . ?
C20 P2 C32 C37 -138.2(5) . . . . ?
Pt1 P2 C32 C37 -10.3(5) . . . . ?
C26 P2 C32 C33 -67.8(5) . . . . ?
C20 P2 C32 C33 38.8(5) . . . . ?
Pt1 P2 C32 C33 166.6(4) . . . . ?
C29 C28 C27 C26 -1.6(9) . . . . ?
C31 C26 C27 C28 2.9(9) . . . . ?
P2 C26 C27 C28 -176.4(4) . . . . ?
C4 C3 C2 C7 2.6(9) . . . . ?
C4 C3 C2 C1 -177.1(6) . . . . ?
C6 C7 C2 C3 -3.6(8) . . . . ?
P1 C7 C2 C3 174.0(4) . . . . ?
C6 C7 C2 C1 176.0(5) . . . . ?
P1 C7 C2 C1 -6.3(7) . . . . ?
C46 C45 C44 C49 0.7(10) . . . . ?
C46 C45 C44 Sn1 -174.4(5) . . . . ?
C46 C47 C48 C49 0.8(11) . . . . ?
C47 C48 C49 C44 2.0(11) . . . . ?
C45 C44 C49 C48 -2.7(9) . . . . ?
Sn1 C44 C49 C48 172.7(5) . . . . ?
C37 C36 C35 C34 -0.9(10) . . . . ?
C22 C23 C24 C25 1.3(10) . . . . ?
C20 C25 C24 C23 -0.3(10) . . . . ?
C43 C38 C39 C40 2.1(9) . . . . ?
Sn1 C38 C39 C40 -175.7(5) . . . . ?
C52 C51 C50 C55 0.5(10) . . . . ?
C52 C51 C50 Sn1 -176.4(6) . . . . ?
C51 C50 C55 C54 -1.1(11) . . . . ?
Sn1 C50 C55 C54 175.9(6) . . . . ?
C10 C11 C12 C13 -0.2(9) . . . . ?
C11 C12 C13 C8 -1.8(8) . . . . ?
C9 C8 C13 C12 2.5(7) . . . . ?
P1 C8 C13 C12 178.6(4) . . . . ?
C32 C33 C34 C35 0.6(10) . . . . ?
C36 C35 C34 C33 0.7(10) . . . . ?
C14 C19 C18 C17 -0.5(11) . . . . ?
C16 C17 C18 C19 0.4(11) . . . . ?
C51 C52 C53 C54 -0.8(12) . . . . ?
C39 C38 C43 C42 -2.0(9) . . . . ?
Sn1 C38 C43 C42 175.8(5) . . . . ?
C18 C17 C16 C15 -0.2(11) . . . . ?
C14 C15 C16 C17 0.0(10) . . . . ?
C52 C53 C54 C55 0.3(12) . . . . ?
C50 C55 C54 C53 0.7(12) . . . . ?
C42 C41 C40 C39 -1.2(11) . . . . ?
C38 C39 C40 C41 -0.6(10) . . . . ?
C40 C41 C42 C43 1.3(11) . . . . ?
C38 C43 C42 C41 0.3(10) . . . . ?
C3 C2 C1 Pt1 -146.5(5) . . . . ?
C7 C2 C1 Pt1 33.9(6) . . . . ?
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_chemical_properties_physical    Air-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_database_code_depnum_ccdc_archive 'CCDC 1909930'
loop_
_audit_author_name
_audit_author_address
'Miguel-Angel Munoz-Hernandez'
;Universidad Autonoma del Estado de Morelos
Mexico
;
_audit_update_record             
;
2019-04-13 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;
_audit_creation_date             2019-02-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C50 H42 P2 Sn'
_chemical_formula_sum            'C50 H42 P2 Sn'
_chemical_formula_weight         823.46
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C50 H42 P2 Sn'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.0985(7)
_cell_length_b                   11.5385(5)
_cell_length_c                   16.3580(11)
_cell_angle_alpha                100.250(5)
_cell_angle_beta                 103.764(6)
_cell_angle_gamma                92.688(4)
_cell_volume                     1993.4(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6485
_cell_measurement_temperature    100.46(10)
_cell_measurement_theta_max      27.5670
_cell_measurement_theta_min      2.8150
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.756
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_correction_T_min  0.860
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             844
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.2494
_exptl_crystal_size_mid          0.1202
_exptl_crystal_size_min          0.0677
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1509
_diffrn_reflns_av_unetI/netI     0.1127
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25938
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.614
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      100.46(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1539
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    2.00   51.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374   57.0000 -180.0000 49

#__ type_ start__ end____ width___ exp.time_
  2 omega  -52.00   32.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -57.0000 -180.0000 84

#__ type_ start__ end____ width___ exp.time_
  3 omega    1.00   87.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374   19.0000    0.0000 86

#__ type_ start__ end____ width___ exp.time_
  4 omega  -11.00   83.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374   77.0000   60.0000 94

#__ type_ start__ end____ width___ exp.time_
  5 omega   25.00   76.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374   38.0000 -150.0000 51

#__ type_ start__ end____ width___ exp.time_
  6 omega  -51.00   32.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -57.0000   30.0000 83

#__ type_ start__ end____ width___ exp.time_
  7 omega  -51.00   32.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -57.0000  -90.0000 83

#__ type_ start__ end____ width___ exp.time_
  8 omega  -11.00   54.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374   77.0000  -90.0000 65

#__ type_ start__ end____ width___ exp.time_
  9 omega  -71.00  -26.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -16.0187  127.0000   -2.1060 45

#__ type_ start__ end____ width___ exp.time_
 10 omega  -74.00  -27.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -16.0187  132.0000  102.4713 47

#__ type_ start__ end____ width___ exp.time_
 11 omega  -72.00  -27.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -16.0187  129.0000 -118.4049 45
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0283948000
_diffrn_orient_matrix_UB_12      -0.0202686000
_diffrn_orient_matrix_UB_13      0.0300378000
_diffrn_orient_matrix_UB_21      -0.0580210000
_diffrn_orient_matrix_UB_22      -0.0108014000
_diffrn_orient_matrix_UB_23      -0.0311068000
_diffrn_orient_matrix_UB_31      0.0139596000
_diffrn_orient_matrix_UB_32      -0.0583887000
_diffrn_orient_matrix_UB_33      -0.0142055000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5601
_reflns_number_total             7012
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         3.176
_refine_diff_density_min         -1.539
_refine_diff_density_rms         0.183
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         7012
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0952
_refine_ls_R_factor_gt           0.0779
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1047P)²+0.9506P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1824
_refine_ls_wR_factor_ref         0.1987
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6: within 2A with sigma of 0.05
and sigma for terminal atoms of 0.1
3. Rigid body (RIGU) restrains
 C1, C2, C3, C4, C5, C6
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
4.a Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B), C38(H38A,H38B)
4.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C21(H21), C22(H22), C23(H23),
  C24(H24), C25(H25), C27(H27), C28(H28), C29(H29), C30(H30), C31(H31),
 C33(H33), C34(H34), C35(H35), C36(H36), C40(H40), C41(H41), C42(H42), C43(H43),
  C44(H44), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.21299(4) 0.22465(3) 0.17630(3) 0.02085(18) Uani 1 1 d . . . . .
P1 P 0.46647(15) 0.01856(13) 0.24220(11) 0.0208(4) Uani 1 1 d . . . . .
P2 P 0.13330(15) 0.44067(13) 0.32659(11) 0.0202(4) Uani 1 1 d . . . . .
C1 C 0.5499(6) -0.0244(6) 0.3408(4) 0.0242(14) Uani 1 1 d . U . . .
C2 C 0.5859(6) -0.1372(6) 0.3470(5) 0.0307(15) Uani 1 1 d . U . . .
H2 H 0.5650 -0.1978 0.2989 0.037 Uiso 1 1 calc R . . . .
C3 C 0.6527(7) -0.1591(8) 0.4248(5) 0.0459(19) Uani 1 1 d . U . . .
H3 H 0.6738 -0.2353 0.4290 0.055 Uiso 1 1 calc R . . . .
C4 C 0.6881(8) -0.0698(9) 0.4957(5) 0.053(2) Uani 1 1 d . U . . .
H4 H 0.7340 -0.0854 0.5474 0.064 Uiso 1 1 calc R . . . .
C5 C 0.6561(8) 0.0418(9) 0.4905(5) 0.053(2) Uani 1 1 d . U . . .
H5 H 0.6807 0.1026 0.5384 0.064 Uiso 1 1 calc R . . . .
C6 C 0.5868(7) 0.0641(6) 0.4135(4) 0.0354(16) Uani 1 1 d . U . . .
H6 H 0.5646 0.1402 0.4105 0.042 Uiso 1 1 calc R . . . .
C7 C 0.5478(6) -0.0620(5) 0.1660(4) 0.0214(14) Uani 1 1 d . . . . .
C8 C 0.4921(6) -0.1569(5) 0.1008(4) 0.0258(15) Uani 1 1 d . . . . .
H8 H 0.4078 -0.1803 0.0913 0.031 Uiso 1 1 calc R . . . .
C9 C 0.5613(7) -0.2169(6) 0.0498(4) 0.0320(16) Uani 1 1 d . . . . .
H9 H 0.5237 -0.2811 0.0067 0.038 Uiso 1 1 calc R . . . .
C10 C 0.6852(6) -0.1817(5) 0.0627(4) 0.0293(16) Uani 1 1 d . . . . .
H10 H 0.7318 -0.2232 0.0291 0.035 Uiso 1 1 calc R . . . .
C11 C 0.7420(7) -0.0842(6) 0.1260(5) 0.0337(17) Uani 1 1 d . . . . .
H11 H 0.8253 -0.0586 0.1334 0.040 Uiso 1 1 calc R . . . .
C12 C 0.6727(6) -0.0260(6) 0.1776(4) 0.0268(15) Uani 1 1 d . . . . .
H12 H 0.7104 0.0382 0.2207 0.032 Uiso 1 1 calc R . . . .
C13 C 0.3142(5) -0.0681(5) 0.2137(4) 0.0190(13) Uani 1 1 d . . . . .
C14 C 0.2815(6) -0.1525(5) 0.2584(4) 0.0255(15) Uani 1 1 d . . . . .
H14 H 0.3410 -0.1714 0.3034 0.031 Uiso 1 1 calc R . . . .
C15 C 0.1625(6) -0.2077(5) 0.2367(5) 0.0281(16) Uani 1 1 d . . . . .
H15 H 0.1421 -0.2620 0.2680 0.034 Uiso 1 1 calc R . . . .
C16 C 0.0741(6) -0.1837(5) 0.1696(5) 0.0283(16) Uani 1 1 d . . . . .
H16 H -0.0054 -0.2232 0.1543 0.034 Uiso 1 1 calc R . . . .
C17 C 0.1035(6) -0.1006(6) 0.1248(4) 0.0249(14) Uani 1 1 d . . . . .
H17 H 0.0429 -0.0846 0.0792 0.030 Uiso 1 1 calc R . . . .
C18 C 0.2218(6) -0.0397(5) 0.1460(4) 0.0232(14) Uani 1 1 d . . . . .
C19 C 0.2451(6) 0.0577(5) 0.1012(4) 0.0206(13) Uani 1 1 d . . . . .
H19A H 0.1894 0.0438 0.0441 0.025 Uiso 1 1 calc R . . . .
H19B H 0.3302 0.0608 0.0956 0.025 Uiso 1 1 calc R . . . .
C20 C 0.0201(6) 0.5532(5) 0.3209(4) 0.0223(14) Uani 1 1 d . . . . .
C21 C 0.0209(6) 0.6448(5) 0.3893(4) 0.0260(15) Uani 1 1 d . . . . .
H21 H 0.0756 0.6481 0.4426 0.031 Uiso 1 1 calc R . . . .
C22 C -0.0613(7) 0.7312(5) 0.3768(5) 0.0307(16) Uani 1 1 d . . . . .
H22 H -0.0618 0.7925 0.4221 0.037 Uiso 1 1 calc R . . . .
C23 C -0.1406(7) 0.7262(6) 0.2987(5) 0.0355(18) Uani 1 1 d . . . . .
H23 H -0.1938 0.7854 0.2907 0.043 Uiso 1 1 calc R . . . .
C24 C -0.1435(6) 0.6338(6) 0.2304(5) 0.0294(16) Uani 1 1 d . . . . .
H24 H -0.1993 0.6302 0.1775 0.035 Uiso 1 1 calc R . . . .
C25 C -0.0626(6) 0.5481(5) 0.2425(4) 0.0228(14) Uani 1 1 d . . . . .
H25 H -0.0638 0.4861 0.1973 0.027 Uiso 1 1 calc R . . . .
C26 C 0.2439(6) 0.4969(5) 0.4309(4) 0.0215(14) Uani 1 1 d . . . . .
C27 C 0.2363(6) 0.4637(5) 0.5074(4) 0.0254(15) Uani 1 1 d . . . . .
H27 H 0.1730 0.4081 0.5076 0.030 Uiso 1 1 calc R . . . .
C28 C 0.3219(6) 0.5126(6) 0.5826(5) 0.0295(16) Uani 1 1 d . . . . .
H28 H 0.3147 0.4906 0.6334 0.035 Uiso 1 1 calc R . . . .
C29 C 0.4183(7) 0.5935(6) 0.5845(5) 0.0363(18) Uani 1 1 d . . . . .
H29 H 0.4767 0.6250 0.6357 0.044 Uiso 1 1 calc R . . . .
C30 C 0.4266(7) 0.6276(6) 0.5075(5) 0.0324(17) Uani 1 1 d . . . . .
H30 H 0.4896 0.6839 0.5077 0.039 Uiso 1 1 calc R . . . .
C31 C 0.3417(6) 0.5779(5) 0.4318(4) 0.0277(15) Uani 1 1 d . . . . .
H31 H 0.3496 0.5984 0.3807 0.033 Uiso 1 1 calc R . . . .
C32 C 0.0483(6) 0.3132(5) 0.3450(4) 0.0221(14) Uani 1 1 d . . . . .
C33 C -0.0653(6) 0.3169(5) 0.3671(4) 0.0233(14) Uani 1 1 d . . . . .
H33 H -0.0994 0.3889 0.3756 0.028 Uiso 1 1 calc R . . . .
C34 C -0.1293(6) 0.2158(5) 0.3770(4) 0.0266(15) Uani 1 1 d . . . . .
H34 H -0.2041 0.2201 0.3931 0.032 Uiso 1 1 calc R . . . .
C35 C -0.0794(7) 0.1090(6) 0.3626(4) 0.0285(15) Uani 1 1 d . . . . .
H35 H -0.1218 0.0405 0.3681 0.034 Uiso 1 1 calc R . . . .
C36 C 0.0331(6) 0.1024(5) 0.3399(4) 0.0243(14) Uani 1 1 d . . . . .
H36 H 0.0654 0.0296 0.3309 0.029 Uiso 1 1 calc R . . . .
C37 C 0.0987(6) 0.2038(5) 0.3302(4) 0.0204(13) Uani 1 1 d . . . . .
C38 C 0.2200(6) 0.1940(5) 0.3047(4) 0.0212(14) Uani 1 1 d . . . . .
H38A H 0.2459 0.1155 0.3083 0.025 Uiso 1 1 calc R . . . .
H38B H 0.2829 0.2506 0.3456 0.025 Uiso 1 1 calc R . . . .
C39 C 0.0307(6) 0.2623(5) 0.1121(4) 0.0226(14) Uani 1 1 d . . . . .
C40 C -0.0792(6) 0.2167(5) 0.1284(4) 0.0248(14) Uani 1 1 d . . . . .
H40 H -0.0739 0.1650 0.1665 0.030 Uiso 1 1 calc R . . . .
C41 C -0.1939(6) 0.2466(6) 0.0893(4) 0.0272(15) Uani 1 1 d . . . . .
H41 H -0.2653 0.2141 0.1002 0.033 Uiso 1 1 calc R . . . .
C42 C -0.2036(6) 0.3245(5) 0.0341(4) 0.0292(16) Uani 1 1 d . . . . .
H42 H -0.2811 0.3474 0.0095 0.035 Uiso 1 1 calc R . . . .
C43 C -0.0978(6) 0.3687(5) 0.0151(4) 0.0259(15) Uani 1 1 d . . . . .
H43 H -0.1043 0.4183 -0.0244 0.031 Uiso 1 1 calc R . . . .
C44 C 0.0180(6) 0.3388(5) 0.0552(4) 0.0226(14) Uani 1 1 d . . . . .
H44 H 0.0889 0.3711 0.0435 0.027 Uiso 1 1 calc R . . . .
C45 C 0.3471(6) 0.3623(5) 0.1732(4) 0.0202(13) Uani 1 1 d . . . . .
C46 C 0.4691(6) 0.3406(5) 0.1741(4) 0.0242(14) Uani 1 1 d . . . . .
H46 H 0.4930 0.2645 0.1748 0.029 Uiso 1 1 calc R . . . .
C47 C 0.5568(6) 0.4316(5) 0.1740(4) 0.0267(15) Uani 1 1 d . . . . .
H47 H 0.6388 0.4160 0.1757 0.032 Uiso 1 1 calc R . . . .
C48 C 0.5223(6) 0.5436(6) 0.1715(4) 0.0283(15) Uani 1 1 d . . . . .
H48 H 0.5807 0.6036 0.1707 0.034 Uiso 1 1 calc R . . . .
C49 C 0.4006(6) 0.5678(5) 0.1701(4) 0.0288(16) Uani 1 1 d . . . . .
H49 H 0.3770 0.6437 0.1680 0.035 Uiso 1 1 calc R . . . .
C50 C 0.3149(6) 0.4781(5) 0.1719(4) 0.0236(14) Uani 1 1 d . . . . .
H50 H 0.2338 0.4949 0.1723 0.028 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 C19 2.186(6) . ?
Sn1 C38 2.175(6) . ?
Sn1 C39 2.149(6) . ?
Sn1 C45 2.141(6) . ?
P1 C1 1.823(7) . ?
P1 C7 1.853(6) . ?
P1 C13 1.837(6) . ?
P2 C20 1.848(6) . ?
P2 C26 1.837(7) . ?
P2 C32 1.819(6) . ?
C1 C2 1.392(9) . ?
C1 C6 1.386(9) . ?
C2 H2 0.9300 . ?
C2 C3 1.385(10) . ?
C3 H3 0.9300 . ?
C3 C4 1.372(12) . ?
C4 H4 0.9300 . ?
C4 C5 1.364(13) . ?
C5 H5 0.9300 . ?
C5 C6 1.385(11) . ?
C6 H6 0.9300 . ?
C7 C8 1.388(9) . ?
C7 C12 1.387(8) . ?
C8 H8 0.9300 . ?
C8 C9 1.383(9) . ?
C9 H9 0.9300 . ?
C9 C10 1.372(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.394(10) . ?
C11 H11 0.9300 . ?
C11 C12 1.381(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.401(8) . ?
C13 C18 1.415(9) . ?
C14 H14 0.9300 . ?
C14 C15 1.376(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.365(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.378(9) . ?
C17 H17 0.9300 . ?
C17 C18 1.395(9) . ?
C18 C19 1.492(8) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.393(9) . ?
C20 C25 1.378(9) . ?
C21 H21 0.9300 . ?
C21 C22 1.391(9) . ?
C22 H22 0.9300 . ?
C22 C23 1.359(10) . ?
C23 H23 0.9300 . ?
C23 C24 1.393(10) . ?
C24 H24 0.9300 . ?
C24 C25 1.375(9) . ?
C25 H25 0.9300 . ?
C26 C27 1.391(9) . ?
C26 C31 1.395(9) . ?
C27 H27 0.9300 . ?
C27 C28 1.371(9) . ?
C28 H28 0.9300 . ?
C28 C29 1.378(10) . ?
C29 H29 0.9300 . ?
C29 C30 1.407(10) . ?
C30 H30 0.9300 . ?
C30 C31 1.375(10) . ?
C31 H31 0.9300 . ?
C32 C33 1.393(8) . ?
C32 C37 1.410(8) . ?
C33 H33 0.9300 . ?
C33 C34 1.391(9) . ?
C34 H34 0.9300 . ?
C34 C35 1.380(9) . ?
C35 H35 0.9300 . ?
C35 C36 1.386(9) . ?
C36 H36 0.9300 . ?
C36 C37 1.402(8) . ?
C37 C38 1.504(8) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.407(9) . ?
C39 C44 1.381(9) . ?
C40 H40 0.9300 . ?
C40 C41 1.372(9) . ?
C41 H41 0.9300 . ?
C41 C42 1.374(10) . ?
C42 H42 0.9300 . ?
C42 C43 1.381(9) . ?
C43 H43 0.9300 . ?
C43 C44 1.387(9) . ?
C44 H44 0.9300 . ?
C45 C46 1.386(9) . ?
C45 C50 1.401(9) . ?
C46 H46 0.9300 . ?
C46 C47 1.398(9) . ?
C47 H47 0.9300 . ?
C47 C48 1.369(9) . ?
C48 H48 0.9300 . ?
C48 C49 1.388(9) . ?
C49 H49 0.9300 . ?
C49 C50 1.383(9) . ?
C50 H50 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C38 Sn1 C19 106.8(2) . . ?
C39 Sn1 C19 105.1(2) . . ?
C39 Sn1 C38 112.0(2) . . ?
C45 Sn1 C19 109.9(2) . . ?
C45 Sn1 C38 113.7(2) . . ?
C45 Sn1 C39 109.0(2) . . ?
C1 P1 C7 99.7(3) . . ?
C1 P1 C13 104.2(3) . . ?
C13 P1 C7 102.7(3) . . ?
C26 P2 C20 102.6(3) . . ?
C32 P2 C20 103.9(3) . . ?
C32 P2 C26 103.5(3) . . ?
C2 C1 P1 124.9(5) . . ?
C6 C1 P1 117.0(5) . . ?
C6 C1 C2 118.0(7) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0(7) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.7(8) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.1(8) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.2 . . ?
C4 C5 C6 119.6(8) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 121.5(7) . . ?
C1 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C8 C7 P1 123.9(5) . . ?
C8 C7 C12 119.1(6) . . ?
C12 C7 P1 117.0(5) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 C7 120.3(6) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0(6) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.5(6) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 120.5 . . ?
C12 C11 C10 119.1(6) . . ?
C12 C11 H11 120.5 . . ?
C7 C12 H12 119.5 . . ?
C11 C12 C7 120.9(6) . . ?
C11 C12 H12 119.5 . . ?
C14 C13 P1 124.4(5) . . ?
C14 C13 C18 118.6(6) . . ?
C18 C13 P1 116.8(4) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.9(6) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.9(6) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.4(6) . . ?
C17 C16 H16 120.3 . . ?
C16 C17 H17 119.1 . . ?
C16 C17 C18 121.8(7) . . ?
C18 C17 H17 119.1 . . ?
C13 C18 C19 122.0(6) . . ?
C17 C18 C13 118.3(6) . . ?
C17 C18 C19 119.5(6) . . ?
Sn1 C19 H19A 110.0 . . ?
Sn1 C19 H19B 110.0 . . ?
C18 C19 Sn1 108.5(4) . . ?
C18 C19 H19A 110.0 . . ?
C18 C19 H19B 110.0 . . ?
H19A C19 H19B 108.4 . . ?
C21 C20 P2 123.3(5) . . ?
C25 C20 P2 116.6(5) . . ?
C25 C20 C21 120.0(6) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 C20 119.2(7) . . ?
C22 C21 H21 120.4 . . ?
C21 C22 H22 119.9 . . ?
C23 C22 C21 120.1(6) . . ?
C23 C22 H22 119.9 . . ?
C22 C23 H23 119.5 . . ?
C22 C23 C24 121.0(6) . . ?
C24 C23 H23 119.5 . . ?
C23 C24 H24 120.5 . . ?
C25 C24 C23 119.0(7) . . ?
C25 C24 H24 120.5 . . ?
C20 C25 H25 119.7 . . ?
C24 C25 C20 120.6(6) . . ?
C24 C25 H25 119.7 . . ?
C27 C26 P2 124.6(5) . . ?
C27 C26 C31 118.9(6) . . ?
C31 C26 P2 116.5(5) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 C26 120.3(6) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 119.3 . . ?
C27 C28 C29 121.4(7) . . ?
C29 C28 H28 119.3 . . ?
C28 C29 H29 120.7 . . ?
C28 C29 C30 118.7(7) . . ?
C30 C29 H29 120.7 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.1(7) . . ?
C31 C30 H30 120.0 . . ?
C26 C31 H31 119.7 . . ?
C30 C31 C26 120.6(7) . . ?
C30 C31 H31 119.7 . . ?
C33 C32 P2 124.0(5) . . ?
C33 C32 C37 119.3(6) . . ?
C37 C32 P2 116.6(4) . . ?
C32 C33 H33 119.1 . . ?
C34 C33 C32 121.7(6) . . ?
C34 C33 H33 119.1 . . ?
C33 C34 H34 120.7 . . ?
C35 C34 C33 118.7(6) . . ?
C35 C34 H34 120.7 . . ?
C34 C35 H35 119.6 . . ?
C34 C35 C36 120.9(6) . . ?
C36 C35 H35 119.6 . . ?
C35 C36 H36 119.5 . . ?
C35 C36 C37 121.0(6) . . ?
C37 C36 H36 119.5 . . ?
C32 C37 C38 121.7(5) . . ?
C36 C37 C32 118.4(6) . . ?
C36 C37 C38 119.9(5) . . ?
Sn1 C38 H38A 108.6 . . ?
Sn1 C38 H38B 108.6 . . ?
C37 C38 Sn1 114.5(4) . . ?
C37 C38 H38A 108.6 . . ?
C37 C38 H38B 108.6 . . ?
H38A C38 H38B 107.6 . . ?
C40 C39 Sn1 122.8(5) . . ?
C44 C39 Sn1 120.1(5) . . ?
C44 C39 C40 117.1(6) . . ?
C39 C40 H40 119.3 . . ?
C41 C40 C39 121.4(6) . . ?
C41 C40 H40 119.3 . . ?
C40 C41 H41 119.9 . . ?
C40 C41 C42 120.3(6) . . ?
C42 C41 H41 119.9 . . ?
C41 C42 H42 120.1 . . ?
C41 C42 C43 119.7(6) . . ?
C43 C42 H42 120.1 . . ?
C42 C43 H43 120.1 . . ?
C42 C43 C44 119.8(6) . . ?
C44 C43 H43 120.1 . . ?
C39 C44 C43 121.7(6) . . ?
C39 C44 H44 119.2 . . ?
C43 C44 H44 119.2 . . ?
C46 C45 Sn1 121.3(4) . . ?
C46 C45 C50 117.8(6) . . ?
C50 C45 Sn1 121.0(5) . . ?
C45 C46 H46 119.5 . . ?
C45 C46 C47 120.9(6) . . ?
C47 C46 H46 119.5 . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.1(6) . . ?
C48 C47 H47 119.9 . . ?
C47 C48 H48 119.9 . . ?
C47 C48 C49 120.3(6) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 120.3 . . ?
C50 C49 C48 119.4(6) . . ?
C50 C49 H49 120.3 . . ?
C45 C50 H50 119.2 . . ?
C49 C50 C45 121.6(6) . . ?
C49 C50 H50 119.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Sn1 C39 C40 C41 177.0(5) . . . . ?
Sn1 C39 C44 C43 -177.5(4) . . . . ?
Sn1 C45 C46 C47 -178.5(5) . . . . ?
Sn1 C45 C50 C49 179.8(5) . . . . ?
P1 C1 C2 C3 177.8(5) . . . . ?
P1 C1 C6 C5 -176.7(6) . . . . ?
P1 C7 C8 C9 -176.1(5) . . . . ?
P1 C7 C12 C11 177.3(5) . . . . ?
P1 C13 C14 C15 175.3(4) . . . . ?
P1 C13 C18 C17 -177.5(4) . . . . ?
P1 C13 C18 C19 -1.5(7) . . . . ?
P2 C20 C21 C22 174.5(5) . . . . ?
P2 C20 C25 C24 -174.7(5) . . . . ?
P2 C26 C27 C28 -178.5(5) . . . . ?
P2 C26 C31 C30 177.8(5) . . . . ?
P2 C32 C33 C34 177.3(5) . . . . ?
P2 C32 C37 C36 -177.1(5) . . . . ?
P2 C32 C37 C38 2.9(8) . . . . ?
C1 P1 C7 C8 112.4(6) . . . . ?
C1 P1 C7 C12 -65.7(5) . . . . ?
C1 P1 C13 C14 -4.0(6) . . . . ?
C1 P1 C13 C18 170.8(4) . . . . ?
C1 C2 C3 C4 -2.4(11) . . . . ?
C2 C1 C6 C5 -0.8(10) . . . . ?
C2 C3 C4 C5 0.9(12) . . . . ?
C3 C4 C5 C6 0.5(12) . . . . ?
C4 C5 C6 C1 -0.6(12) . . . . ?
C6 C1 C2 C3 2.2(10) . . . . ?
C7 P1 C1 C2 -40.4(6) . . . . ?
C7 P1 C1 C6 135.2(5) . . . . ?
C7 P1 C13 C14 99.6(5) . . . . ?
C7 P1 C13 C18 -85.7(5) . . . . ?
C7 C8 C9 C10 -0.9(10) . . . . ?
C8 C7 C12 C11 -0.8(10) . . . . ?
C8 C9 C10 C11 -1.3(11) . . . . ?
C9 C10 C11 C12 2.3(11) . . . . ?
C10 C11 C12 C7 -1.3(10) . . . . ?
C12 C7 C8 C9 1.9(10) . . . . ?
C13 P1 C1 C2 65.4(6) . . . . ?
C13 P1 C1 C6 -119.0(5) . . . . ?
C13 P1 C7 C8 5.3(6) . . . . ?
C13 P1 C7 C12 -172.8(5) . . . . ?
C13 C14 C15 C16 1.6(9) . . . . ?
C13 C18 C19 Sn1 -83.7(6) . . . . ?
C14 C13 C18 C17 -2.4(8) . . . . ?
C14 C13 C18 C19 173.6(5) . . . . ?
C14 C15 C16 C17 -1.9(9) . . . . ?
C15 C16 C17 C18 0.0(9) . . . . ?
C16 C17 C18 C13 2.2(9) . . . . ?
C16 C17 C18 C19 -173.9(6) . . . . ?
C17 C18 C19 Sn1 92.3(6) . . . . ?
C18 C13 C14 C15 0.6(8) . . . . ?
C20 P2 C26 C27 93.6(5) . . . . ?
C20 P2 C26 C31 -86.7(5) . . . . ?
C20 P2 C32 C33 -11.8(6) . . . . ?
C20 P2 C32 C37 164.0(5) . . . . ?
C20 C21 C22 C23 -0.3(10) . . . . ?
C21 C20 C25 C24 1.1(9) . . . . ?
C21 C22 C23 C24 1.5(10) . . . . ?
C22 C23 C24 C25 -1.3(10) . . . . ?
C23 C24 C25 C20 0.1(9) . . . . ?
C25 C20 C21 C22 -0.9(9) . . . . ?
C26 P2 C20 C21 -7.4(6) . . . . ?
C26 P2 C20 C25 168.2(5) . . . . ?
C26 P2 C32 C33 95.0(6) . . . . ?
C26 P2 C32 C37 -89.1(5) . . . . ?
C26 C27 C28 C29 -1.2(9) . . . . ?
C27 C26 C31 C30 -2.5(9) . . . . ?
C27 C28 C29 C30 1.2(10) . . . . ?
C28 C29 C30 C31 -1.9(9) . . . . ?
C29 C30 C31 C26 2.5(9) . . . . ?
C31 C26 C27 C28 1.8(8) . . . . ?
C32 P2 C20 C21 100.1(5) . . . . ?
C32 P2 C20 C25 -84.3(5) . . . . ?
C32 P2 C26 C27 -14.2(6) . . . . ?
C32 P2 C26 C31 165.4(4) . . . . ?
C32 C33 C34 C35 -1.4(10) . . . . ?
C32 C37 C38 Sn1 -69.1(7) . . . . ?
C33 C32 C37 C36 -1.0(9) . . . . ?
C33 C32 C37 C38 179.0(6) . . . . ?
C33 C34 C35 C36 0.9(10) . . . . ?
C34 C35 C36 C37 -0.6(10) . . . . ?
C35 C36 C37 C32 0.6(9) . . . . ?
C35 C36 C37 C38 -179.4(6) . . . . ?
C36 C37 C38 Sn1 110.9(6) . . . . ?
C37 C32 C33 C34 1.5(9) . . . . ?
C39 C40 C41 C42 -1.3(9) . . . . ?
C40 C39 C44 C43 -0.6(9) . . . . ?
C40 C41 C42 C43 2.8(10) . . . . ?
C41 C42 C43 C44 -3.2(9) . . . . ?
C42 C43 C44 C39 2.2(9) . . . . ?
C44 C39 C40 C41 0.2(9) . . . . ?
C45 C46 C47 C48 -1.2(10) . . . . ?
C46 C45 C50 C49 1.1(9) . . . . ?
C46 C47 C48 C49 0.9(10) . . . . ?
C47 C48 C49 C50 0.4(10) . . . . ?
C48 C49 C50 C45 -1.4(10) . . . . ?
C50 C45 C46 C47 0.2(9) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
13 3 4 0.0895 13.4245 3.4874 3.9790 -0.3324 -0.9403 -0.0727
0 15 6 0.0963 0.1172 14.5480 5.8195 -0.1234 -0.3450 -0.9305
-13 9 1 0.0847 -13.3171 9.1242 1.0670 0.2253 0.6409 -0.7338
0 -15 -6 0.0222 0.4080 -14.6493 -5.7586 0.1124 0.3137 0.9429
5 -14 -7 0.0401 5.1976 -14.1905 -6.7009 -0.0612 0.0602 0.9963
2 -8 20 0.0410 2.2587 -8.1854 20.1773 0.7079 -0.6703 0.2228
-5 13 11 0.1154 -4.7698 12.6056 10.9173 0.2079 -0.1990 -0.9577
-1 5 -22 0.0019 -1.0548 4.9090 -21.8486 -0.7258 0.6878 0.0090

_olex2_date_sample_data_collection 2016-03-18
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_chemical_properties_physical    Air-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1909929'
loop_
_audit_author_name
_audit_author_address
'Miguel-Angel Munoz-Hernandez'
;Universidad Autonoma del Estado de Morelos
Mexico
;
_audit_update_record             
;
2019-04-13 deposited with the CCDC.	2019-09-19 downloaded from the CCDC.
;
_audit_creation_date             2019-02-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H25 P Sn'
_chemical_formula_sum            'C22 H25 P Sn'
_chemical_formula_weight         439.08
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H Sn P'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.7778(3)
_cell_length_b                   10.9555(3)
_cell_length_c                   19.6759(4)
_cell_angle_alpha                77.307(2)
_cell_angle_beta                 85.848(2)
_cell_angle_gamma                62.788(2)
_cell_volume                     2014.57(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    16714
_cell_measurement_temperature    100.0(3)
_cell_measurement_theta_max      28.9780
_cell_measurement_theta_min      3.0590
_shelx_estimated_absorpt_T_max   0.855
_shelx_estimated_absorpt_T_min   0.784
_exptl_absorpt_coefficient_mu    1.348
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87130
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.888
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            31457
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.888
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.202
_diffrn_reflns_theta_min         2.678
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0769
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   32.00   79.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374   38.0000   60.0000 47

#__ type_ start__ end____ width___ exp.time_
  2 omega   -9.00   81.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374   77.0000  120.0000 90

#__ type_ start__ end____ width___ exp.time_
  3 omega   -9.00   83.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374   77.0000  -30.0000 92

#__ type_ start__ end____ width___ exp.time_
  4 omega    5.00   83.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374   57.0000 -120.0000 78

#__ type_ start__ end____ width___ exp.time_
  5 omega  -20.00   54.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -99.0000 -180.0000 74

#__ type_ start__ end____ width___ exp.time_
  6 omega  -40.00   26.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -57.0000 -120.0000 66

#__ type_ start__ end____ width___ exp.time_
  7 omega  -51.00   32.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -57.0000  -30.0000 83

#__ type_ start__ end____ width___ exp.time_
  8 omega  -54.00   33.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -       15.2374  -38.0000   60.0000 87

#__ type_ start__ end____ width___ exp.time_
  9 omega  -64.00  -24.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -16.1749  115.0000    9.7880 40

#__ type_ start__ end____ width___ exp.time_
 10 omega  -67.00  -27.00   1.0000   15.0000
omega____ theta____ kappa____ phi______ frames
    -      -16.1749  120.0000 -132.2227 40
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0696184000
_diffrn_orient_matrix_UB_12      0.0101437000
_diffrn_orient_matrix_UB_13      -0.0020427000
_diffrn_orient_matrix_UB_21      -0.0235702000
_diffrn_orient_matrix_UB_22      0.0734208000
_diffrn_orient_matrix_UB_23      -0.0110676000
_diffrn_orient_matrix_UB_31      0.0089305000
_diffrn_orient_matrix_UB_32      -0.0072139000
_diffrn_orient_matrix_UB_33      -0.0352171000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8552
_reflns_number_total             9697
_reflns_odcompleteness_completeness 99.89
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.454
_refine_diff_density_min         -0.492
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         9697
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0314
_refine_ls_R_factor_gt           0.0255
_refine_ls_restrained_S_all      1.026
_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+0.8824P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0531
_refine_ls_wR_factor_ref         0.0558
_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 Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C29(H29A,H29B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C12(H12), C13(H13), C14(H14), C15(H15),
 C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C25(H25), C26(H26),
  C27(H27), C28(H28), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38),
 C40(H40), C41(H41), C42(H42), C43(H43), C44(H44)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C30(H30A,H30B,H30C),
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sn1 Sn 0.22469(2) 0.71599(2) 0.32548(2) 0.01855(4) Uani 1 1 d . . . . .
P1 P 0.25920(5) 0.89698(5) 0.45531(3) 0.01457(10) Uani 1 1 d . . . . .
C1 C 0.4448(2) 0.81029(19) 0.34883(9) 0.0146(4) Uani 1 1 d . . . . .
C2 C 0.5777(2) 0.7476(2) 0.32215(10) 0.0192(4) Uani 1 1 d . . . . .
H2 H 0.5860 0.7386 0.2759 0.023 Uiso 1 1 calc R . . . .
C3 C 0.6972(2) 0.6986(2) 0.36274(11) 0.0220(4) Uani 1 1 d . . . . .
H3 H 0.7845 0.6565 0.3438 0.026 Uiso 1 1 calc R . . . .
C4 C 0.6872(2) 0.7122(2) 0.43150(10) 0.0200(4) Uani 1 1 d . . . . .
H4 H 0.7673 0.6796 0.4589 0.024 Uiso 1 1 calc R . . . .
C5 C 0.5562(2) 0.7748(2) 0.45902(10) 0.0164(4) Uani 1 1 d . . . . .
H5 H 0.5494 0.7847 0.5051 0.020 Uiso 1 1 calc R . . . .
C6 C 0.4349(2) 0.82338(19) 0.41924(9) 0.0135(4) Uani 1 1 d . . . . .
C7 C 0.3181(2) 0.8590(2) 0.30403(10) 0.0174(4) Uani 1 1 d . . . . .
H7A H 0.3432 0.8696 0.2555 0.021 Uiso 1 1 calc R . . . .
H7B H 0.2494 0.9505 0.3112 0.021 Uiso 1 1 calc R . . . .
C8 C 0.2778(3) 0.6037(2) 0.24255(11) 0.0326(6) Uani 1 1 d . . . . .
H8A H 0.2785 0.6648 0.1995 0.049 Uiso 1 1 calc GR . . . .
H8B H 0.2102 0.5711 0.2389 0.049 Uiso 1 1 calc GR . . . .
H8C H 0.3686 0.5248 0.2522 0.049 Uiso 1 1 calc GR . . . .
C9 C 0.0025(2) 0.8337(3) 0.32688(15) 0.0420(7) Uani 1 1 d . . . . .
H9A H -0.0217 0.8884 0.3621 0.063 Uiso 1 1 calc GR . . . .
H9B H -0.0385 0.7705 0.3369 0.063 Uiso 1 1 calc GR . . . .
H9C H -0.0320 0.8951 0.2822 0.063 Uiso 1 1 calc GR . . . .
C10 C 0.3050(3) 0.5708(2) 0.42242(11) 0.0273(5) Uani 1 1 d . . . . .
H10A H 0.3869 0.5733 0.4369 0.041 Uiso 1 1 calc GR . . . .
H10B H 0.3286 0.4779 0.4169 0.041 Uiso 1 1 calc GR . . . .
H10C H 0.2355 0.5961 0.4571 0.041 Uiso 1 1 calc GR . . . .
C11 C 0.2018(2) 1.0870(2) 0.43043(9) 0.0157(4) Uani 1 1 d . . . . .
C12 C 0.0644(2) 1.1767(2) 0.44402(11) 0.0237(5) Uani 1 1 d . . . . .
H12 H 0.0067 1.1392 0.4664 0.028 Uiso 1 1 calc R . . . .
C13 C 0.0135(2) 1.3212(2) 0.42431(12) 0.0285(5) Uani 1 1 d . . . . .
H13 H -0.0772 1.3799 0.4347 0.034 Uiso 1 1 calc R . . . .
C14 C 0.0969(2) 1.3783(2) 0.38941(11) 0.0250(5) Uani 1 1 d . . . . .
H14 H 0.0619 1.4752 0.3756 0.030 Uiso 1 1 calc R . . . .
C15 C 0.2332(2) 1.2906(2) 0.37496(10) 0.0208(4) Uani 1 1 d . . . . .
H15 H 0.2896 1.3287 0.3514 0.025 Uiso 1 1 calc R . . . .
C16 C 0.2852(2) 1.1458(2) 0.39587(10) 0.0170(4) Uani 1 1 d . . . . .
H16 H 0.3769 1.0876 0.3866 0.020 Uiso 1 1 calc R . . . .
C17 C 0.3034(2) 0.8552(2) 0.54857(10) 0.0169(4) Uani 1 1 d . . . . .
C18 C 0.3347(2) 0.7190(2) 0.58446(11) 0.0230(5) Uani 1 1 d . . . . .
H18 H 0.3247 0.6579 0.5617 0.028 Uiso 1 1 calc R . . . .
C19 C 0.3807(2) 0.6741(3) 0.65363(11) 0.0285(5) Uani 1 1 d . . . . .
H19 H 0.4040 0.5824 0.6767 0.034 Uiso 1 1 calc R . . . .
C20 C 0.3918(2) 0.7656(3) 0.68823(11) 0.0295(5) Uani 1 1 d . . . . .
H20 H 0.4230 0.7352 0.7346 0.035 Uiso 1 1 calc R . . . .
C21 C 0.3566(2) 0.9022(3) 0.65412(11) 0.0276(5) Uani 1 1 d . . . . .
H21 H 0.3619 0.9644 0.6779 0.033 Uiso 1 1 calc R . . . .
C22 C 0.3133(2) 0.9469(2) 0.58409(10) 0.0212(4) Uani 1 1 d . . . . .
H22 H 0.2909 1.0385 0.5611 0.025 Uiso 1 1 calc R . . . .
Sn2 Sn 0.14038(2) 0.68614(2) 0.83872(2) 0.01615(4) Uani 1 1 d . . . . .
P2 P 0.39994(5) 0.36263(5) 0.96687(3) 0.01450(10) Uani 1 1 d . . . . .
C23 C 0.2527(2) 0.3716(2) 0.85307(10) 0.0160(4) Uani 1 1 d . . . . .
C24 C 0.29846(19) 0.30409(19) 0.92288(9) 0.0136(4) Uani 1 1 d . . . . .
C25 C 0.26021(19) 0.2007(2) 0.95662(10) 0.0155(4) Uani 1 1 d . . . . .
H25 H 0.2909 0.1558 1.0025 0.019 Uiso 1 1 calc R . . . .
C26 C 0.1774(2) 0.1634(2) 0.92326(10) 0.0181(4) Uani 1 1 d . . . . .
H26 H 0.1539 0.0935 0.9463 0.022 Uiso 1 1 calc R . . . .
C27 C 0.1304(2) 0.2316(2) 0.85523(10) 0.0216(4) Uani 1 1 d . . . . .
H27 H 0.0738 0.2085 0.8325 0.026 Uiso 1 1 calc R . . . .
C28 C 0.1678(2) 0.3339(2) 0.82113(10) 0.0206(4) Uani 1 1 d . . . . .
H28 H 0.1354 0.3789 0.7755 0.025 Uiso 1 1 calc R . . . .
C29 C 0.2872(2) 0.4853(2) 0.81449(10) 0.0191(4) Uani 1 1 d . . . . .
H29A H 0.2833 0.4909 0.7647 0.023 Uiso 1 1 calc R . . . .
H29B H 0.3813 0.4637 0.8275 0.023 Uiso 1 1 calc R . . . .
C30 C 0.0304(2) 0.6467(2) 0.92923(11) 0.0244(5) Uani 1 1 d . . . . .
H30A H 0.0106 0.5706 0.9271 0.037 Uiso 1 1 calc GR . . . .
H30B H -0.0555 0.7295 0.9309 0.037 Uiso 1 1 calc GR . . . .
H30C H 0.0868 0.6223 0.9703 0.037 Uiso 1 1 calc GR . . . .
C31 C -0.0011(2) 0.7956(3) 0.75051(12) 0.0336(6) Uani 1 1 d . . . . .
H31A H 0.0450 0.8275 0.7123 0.050 Uiso 1 1 calc GR . . . .
H31B H -0.0807 0.8747 0.7623 0.050 Uiso 1 1 calc GR . . . .
H31C H -0.0309 0.7336 0.7373 0.050 Uiso 1 1 calc GR . . . .
C32 C 0.2411(2) 0.8071(2) 0.85409(11) 0.0273(5) Uani 1 1 d . . . . .
H32A H 0.3395 0.7473 0.8619 0.041 Uiso 1 1 calc GR . . . .
H32B H 0.2035 0.8483 0.8938 0.041 Uiso 1 1 calc GR . . . .
H32C H 0.2255 0.8800 0.8135 0.041 Uiso 1 1 calc GR . . . .
C33 C 0.4007(2) 0.2777(2) 1.05860(10) 0.0158(4) Uani 1 1 d . . . . .
C34 C 0.4940(2) 0.1394(2) 1.08725(10) 0.0187(4) Uani 1 1 d . . . . .
H34 H 0.5611 0.0853 1.0595 0.022 Uiso 1 1 calc R . . . .
C35 C 0.4878(2) 0.0813(2) 1.15709(11) 0.0235(5) Uani 1 1 d . . . . .
H35 H 0.5509 -0.0110 1.1758 0.028 Uiso 1 1 calc R . . . .
C36 C 0.3879(3) 0.1606(2) 1.19873(11) 0.0268(5) Uani 1 1 d . . . . .
H36 H 0.3830 0.1215 1.2452 0.032 Uiso 1 1 calc R . . . .
C37 C 0.2951(2) 0.2989(2) 1.17057(11) 0.0279(5) Uani 1 1 d . . . . .
H37 H 0.2276 0.3526 1.1983 0.033 Uiso 1 1 calc R . . . .
C38 C 0.3028(2) 0.3574(2) 1.10135(11) 0.0221(4) Uani 1 1 d . . . . .
H38 H 0.2419 0.4509 1.0833 0.027 Uiso 1 1 calc R . . . .
C39 C 0.5790(2) 0.2535(2) 0.94276(9) 0.0152(4) Uani 1 1 d . . . . .
C40 C 0.6842(2) 0.2820(2) 0.96121(10) 0.0204(4) Uani 1 1 d . . . . .
H40 H 0.6616 0.3558 0.9835 0.025 Uiso 1 1 calc R . . . .
C41 C 0.8223(2) 0.2010(2) 0.94663(11) 0.0247(5) Uani 1 1 d . . . . .
H41 H 0.8918 0.2201 0.9596 0.030 Uiso 1 1 calc R . . . .
C42 C 0.8568(2) 0.0919(2) 0.91290(10) 0.0217(4) Uani 1 1 d . . . . .
H42 H 0.9495 0.0377 0.9033 0.026 Uiso 1 1 calc R . . . .
C43 C 0.7535(2) 0.0637(2) 0.89344(10) 0.0182(4) Uani 1 1 d . . . . .
H43 H 0.7766 -0.0092 0.8705 0.022 Uiso 1 1 calc R . . . .
C44 C 0.6149(2) 0.1441(2) 0.90812(10) 0.0164(4) Uani 1 1 d . . . . .
H44 H 0.5458 0.1249 0.8948 0.020 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sn1 C7 2.176(2) . ?
Sn1 C8 2.147(2) . ?
Sn1 C9 2.140(2) . ?
Sn1 C10 2.136(2) . ?
P1 C6 1.8436(19) . ?
P1 C11 1.837(2) . ?
P1 C17 1.8335(19) . ?
C1 C2 1.396(3) . ?
C1 C6 1.415(3) . ?
C1 C7 1.493(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.384(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.384(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.387(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.391(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.399(3) . ?
C11 C16 1.391(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.387(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.381(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.389(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.390(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.397(3) . ?
C17 C22 1.388(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.385(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.379(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.383(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.394(3) . ?
C22 H22 0.9300 . ?
Sn2 C29 2.1768(19) . ?
Sn2 C30 2.142(2) . ?
Sn2 C31 2.138(2) . ?
Sn2 C32 2.137(2) . ?
P2 C24 1.8383(19) . ?
P2 C33 1.839(2) . ?
P2 C39 1.840(2) . ?
C23 C24 1.413(3) . ?
C23 C28 1.394(3) . ?
C23 C29 1.495(3) . ?
C24 C25 1.396(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.389(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.385(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.383(3) . ?
C28 H28 0.9300 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.392(3) . ?
C33 C38 1.391(3) . ?
C34 H34 0.9300 . ?
C34 C35 1.392(3) . ?
C35 H35 0.9300 . ?
C35 C36 1.383(3) . ?
C36 H36 0.9300 . ?
C36 C37 1.389(3) . ?
C37 H37 0.9300 . ?
C37 C38 1.386(3) . ?
C38 H38 0.9300 . ?
C39 C40 1.395(3) . ?
C39 C44 1.396(3) . ?
C40 H40 0.9300 . ?
C40 C41 1.388(3) . ?
C41 H41 0.9300 . ?
C41 C42 1.383(3) . ?
C42 H42 0.9300 . ?
C42 C43 1.383(3) . ?
C43 H43 0.9300 . ?
C43 C44 1.392(3) . ?
C44 H44 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C8 Sn1 C7 107.47(9) . . ?
C9 Sn1 C7 109.54(9) . . ?
C9 Sn1 C8 109.12(10) . . ?
C10 Sn1 C7 110.41(8) . . ?
C10 Sn1 C8 109.52(8) . . ?
C10 Sn1 C9 110.72(10) . . ?
C11 P1 C6 102.71(9) . . ?
C17 P1 C6 100.74(9) . . ?
C17 P1 C11 103.27(9) . . ?
C2 C1 C6 118.07(17) . . ?
C2 C1 C7 120.24(17) . . ?
C6 C1 C7 121.68(17) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 C1 121.67(18) . . ?
C3 C2 H2 119.2 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.14(19) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.4 . . ?
C3 C4 C5 119.21(19) . . ?
C5 C4 H4 120.4 . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.49(18) . . ?
C6 C5 H5 119.3 . . ?
C1 C6 P1 117.64(14) . . ?
C5 C6 P1 122.86(14) . . ?
C5 C6 C1 119.43(17) . . ?
Sn1 C7 H7A 109.0 . . ?
Sn1 C7 H7B 109.0 . . ?
C1 C7 Sn1 113.10(13) . . ?
C1 C7 H7A 109.0 . . ?
C1 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
Sn1 C8 H8A 109.5 . . ?
Sn1 C8 H8B 109.5 . . ?
Sn1 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Sn1 C9 H9A 109.5 . . ?
Sn1 C9 H9B 109.5 . . ?
Sn1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Sn1 C10 H10A 109.5 . . ?
Sn1 C10 H10B 109.5 . . ?
Sn1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P1 117.85(16) . . ?
C16 C11 P1 123.51(15) . . ?
C16 C11 C12 118.55(18) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 C11 120.5(2) . . ?
C13 C12 H12 119.7 . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.3(2) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 120.1 . . ?
C13 C14 C15 119.8(2) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 120.1 . . ?
C14 C15 C16 119.9(2) . . ?
C16 C15 H15 120.1 . . ?
C11 C16 H16 119.6 . . ?
C15 C16 C11 120.83(19) . . ?
C15 C16 H16 119.6 . . ?
C18 C17 P1 116.43(15) . . ?
C22 C17 P1 124.55(16) . . ?
C22 C17 C18 118.95(18) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.6(2) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.0(2) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C21 120.1(2) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C22 120.0(2) . . ?
C22 C21 H21 120.0 . . ?
C17 C22 C21 120.2(2) . . ?
C17 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C30 Sn2 C29 108.32(8) . . ?
C31 Sn2 C29 105.63(9) . . ?
C31 Sn2 C30 109.98(9) . . ?
C32 Sn2 C29 112.27(8) . . ?
C32 Sn2 C30 111.12(8) . . ?
C32 Sn2 C31 109.37(10) . . ?
C24 P2 C33 102.49(9) . . ?
C24 P2 C39 101.80(8) . . ?
C33 P2 C39 101.58(9) . . ?
C24 C23 C29 121.91(18) . . ?
C28 C23 C24 118.12(18) . . ?
C28 C23 C29 119.91(18) . . ?
C23 C24 P2 118.06(14) . . ?
C25 C24 P2 122.65(14) . . ?
C25 C24 C23 119.23(17) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 C24 121.53(18) . . ?
C26 C25 H25 119.2 . . ?
C25 C26 H26 120.4 . . ?
C27 C26 C25 119.19(19) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 120.1 . . ?
C28 C27 C26 119.88(19) . . ?
C28 C27 H27 120.1 . . ?
C23 C28 H28 119.0 . . ?
C27 C28 C23 122.04(19) . . ?
C27 C28 H28 119.0 . . ?
Sn2 C29 H29A 109.6 . . ?
Sn2 C29 H29B 109.6 . . ?
C23 C29 Sn2 110.24(13) . . ?
C23 C29 H29A 109.6 . . ?
C23 C29 H29B 109.6 . . ?
H29A C29 H29B 108.1 . . ?
Sn2 C30 H30A 109.5 . . ?
Sn2 C30 H30B 109.5 . . ?
Sn2 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Sn2 C31 H31A 109.5 . . ?
Sn2 C31 H31B 109.5 . . ?
Sn2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Sn2 C32 H32A 109.5 . . ?
Sn2 C32 H32B 109.5 . . ?
Sn2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P2 123.63(15) . . ?
C38 C33 P2 117.63(15) . . ?
C38 C33 C34 118.74(18) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.56(19) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.2(2) . . ?
C36 C35 H35 119.9 . . ?
C35 C36 H36 120.2 . . ?
C35 C36 C37 119.50(19) . . ?
C37 C36 H36 120.2 . . ?
C36 C37 H37 119.9 . . ?
C38 C37 C36 120.3(2) . . ?
C38 C37 H37 119.9 . . ?
C33 C38 H38 119.7 . . ?
C37 C38 C33 120.7(2) . . ?
C37 C38 H38 119.7 . . ?
C40 C39 P2 117.44(14) . . ?
C44 C39 P2 123.79(15) . . ?
C44 C39 C40 118.76(18) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 C39 120.51(19) . . ?
C41 C40 H40 119.7 . . ?
C40 C41 H41 119.9 . . ?
C42 C41 C40 120.2(2) . . ?
C42 C41 H41 119.9 . . ?
C41 C42 H42 120.1 . . ?
C41 C42 C43 119.89(19) . . ?
C43 C42 H42 120.1 . . ?
C42 C43 H43 119.9 . . ?
C42 C43 C44 120.19(18) . . ?
C44 C43 H43 119.9 . . ?
C39 C44 H44 119.8 . . ?
C43 C44 C39 120.38(19) . . ?
C43 C44 H44 119.8 . . ?

_olex2_date_sample_data_collection 2018-05-29
_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene'
_chemical_properties_physical    Air-sensitive
