# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 1416067'
_audit_update_record             
;
2015-07-30 deposited with the CCDC.
2015-09-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H51 P Pt'
_chemical_formula_weight         709.83

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.7573(4)
_cell_length_b                   11.3705(3)
_cell_length_c                   20.9159(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.1820(10)
_cell_angle_gamma                90.00
_cell_volume                     3238.52(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9844
_cell_measurement_theta_min      2.64
_cell_measurement_theta_max      30.65

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1440
_exptl_absorpt_coefficient_mu    4.404
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5028
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA. 
;

_exptl_special_details           
; 
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28865
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0485
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.97
_diffrn_reflns_theta_max         30.65
_reflns_number_total             9981
_reflns_number_gt                8191
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0213P)²+5.4749P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9981
_refine_ls_number_parameters     385
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0268
_refine_ls_wR_factor_ref         0.0608
_refine_ls_wR_factor_gt          0.0556
_refine_ls_goodness_of_fit_ref   0.904
_refine_ls_restrained_S_all      0.904
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.313732(8) 1.109822(8) 0.482887(4) 0.01364(3) Uani 1 1 d . . .
P1 P 0.33670(5) 0.99319(5) 0.39724(3) 0.01082(12) Uani 1 1 d . . .
C1 C 0.2423(3) 0.9772(3) 0.52992(15) 0.0295(7) Uani 1 1 d . . .
H1A H 0.292(3) 0.913(3) 0.5411(18) 0.030(10) Uiso 1 1 d . . .
H1B H 0.179(3) 0.960(4) 0.513(2) 0.048(13) Uiso 1 1 d . . .
C2 C 0.2604(3) 1.0769(3) 0.57117(14) 0.0288(7) Uani 1 1 d . . .
H2A H 0.317(2) 1.075(3) 0.6069(15) 0.012(7) Uiso 1 1 d . . .
H2B H 0.212(3) 1.123(3) 0.5841(18) 0.029(10) Uiso 1 1 d . . .
C3 C 0.3584(2) 1.2838(2) 0.50925(14) 0.0202(5) Uani 1 1 d . . .
H3A H 0.412(3) 1.289(3) 0.5438(17) 0.027(9) Uiso 1 1 d . . .
H3B H 0.303(2) 1.334(3) 0.5128(15) 0.015(8) Uiso 1 1 d . . .
C4 C 0.3845(2) 1.2567(2) 0.44791(14) 0.0197(5) Uani 1 1 d . . .
H4A H 0.445(3) 1.239(3) 0.4422(16) 0.020(8) Uiso 1 1 d . . .
H4B H 0.345(2) 1.288(3) 0.4096(16) 0.018(8) Uiso 1 1 d . . .
C5 C 0.4294(2) 0.8829(2) 0.42817(13) 0.0175(5) Uani 1 1 d . . .
H5A H 0.4466 0.8358 0.3922 0.026 Uiso 1 1 calc R . .
H5B H 0.4027 0.8314 0.4590 0.026 Uiso 1 1 calc R . .
H5C H 0.4882 0.9227 0.4498 0.026 Uiso 1 1 calc R . .
C6 C 0.4024(2) 1.0605(2) 0.33687(13) 0.0174(5) Uani 1 1 d . . .
H6A H 0.4696 1.0796 0.3565 0.026 Uiso 1 1 calc R . .
H6B H 0.3686 1.1327 0.3206 0.026 Uiso 1 1 calc R . .
H6C H 0.4045 1.0055 0.3010 0.026 Uiso 1 1 calc R . .
C7 C 0.22826(18) 0.9208(2) 0.35050(11) 0.0105(4) Uani 1 1 d . . .
C8 C 0.21530(19) 0.7969(2) 0.34531(11) 0.0116(4) Uani 1 1 d . . .
C9 C 0.1258(2) 0.7515(2) 0.31610(13) 0.0168(5) Uani 1 1 d . . .
H9 H 0.1171 0.6687 0.3143 0.020 Uiso 1 1 calc R . .
C10 C 0.0499(2) 0.8225(2) 0.28984(13) 0.0194(5) Uani 1 1 d . . .
H10 H -0.0111 0.7895 0.2713 0.023 Uiso 1 1 calc R . .
C11 C 0.0637(2) 0.9434(2) 0.29082(13) 0.0170(5) Uani 1 1 d . . .
H11 H 0.0127 0.9928 0.2707 0.020 Uiso 1 1 calc R . .
C12 C 0.15101(18) 0.9939(2) 0.32068(11) 0.0114(4) Uani 1 1 d . . .
C13 C 0.29443(19) 0.7064(2) 0.36278(12) 0.0117(4) Uani 1 1 d . . .
C14 C 0.35404(19) 0.6769(2) 0.31592(12) 0.0138(5) Uani 1 1 d . . .
C15 C 0.4244(2) 0.5890(2) 0.32986(13) 0.0171(5) Uani 1 1 d . . .
H15 H 0.4648 0.5681 0.2984 0.020 Uiso 1 1 calc R . .
C16 C 0.4365(2) 0.5316(2) 0.38869(14) 0.0200(5) Uani 1 1 d . . .
H16 H 0.4862 0.4736 0.3981 0.024 Uiso 1 1 calc R . .
C17 C 0.3761(2) 0.5591(2) 0.43370(13) 0.0181(5) Uani 1 1 d . . .
H17 H 0.3841 0.5186 0.4738 0.022 Uiso 1 1 calc R . .
C18 C 0.3033(2) 0.6453(2) 0.42164(12) 0.0143(5) Uani 1 1 d . . .
C19 C 0.3418(2) 0.7333(2) 0.24936(13) 0.0194(5) Uani 1 1 d . . .
H19 H 0.2931 0.7988 0.2488 0.023 Uiso 1 1 calc R . .
C20 C 0.3001(3) 0.6423(3) 0.19873(14) 0.0317(7) Uani 1 1 d . . .
H20A H 0.3463 0.5767 0.1989 0.047 Uiso 1 1 calc R . .
H20B H 0.2902 0.6790 0.1559 0.047 Uiso 1 1 calc R . .
H20C H 0.2371 0.6130 0.2090 0.047 Uiso 1 1 calc R . .
C21 C 0.4374(2) 0.7843(3) 0.23209(16) 0.0278(7) Uani 1 1 d . . .
H21A H 0.4668 0.8366 0.2668 0.042 Uiso 1 1 calc R . .
H21B H 0.4236 0.8290 0.1917 0.042 Uiso 1 1 calc R . .
H21C H 0.4831 0.7202 0.2266 0.042 Uiso 1 1 calc R . .
C22 C 0.2360(2) 0.6704(2) 0.47156(12) 0.0166(5) Uani 1 1 d . . .
H22 H 0.2109 0.7526 0.4646 0.020 Uiso 1 1 calc R . .
C23 C 0.1476(2) 0.5877(3) 0.46352(15) 0.0236(6) Uani 1 1 d . . .
H23A H 0.1100 0.5982 0.4204 0.035 Uiso 1 1 calc R . .
H23B H 0.1056 0.6057 0.4964 0.035 Uiso 1 1 calc R . .
H23C H 0.1703 0.5061 0.4686 0.035 Uiso 1 1 calc R . .
C24 C 0.2885(3) 0.6613(3) 0.54111(13) 0.0255(6) Uani 1 1 d . . .
H24A H 0.3084 0.5796 0.5504 0.038 Uiso 1 1 calc R . .
H24B H 0.2440 0.6866 0.5711 0.038 Uiso 1 1 calc R . .
H24C H 0.3468 0.7118 0.5463 0.038 Uiso 1 1 calc R . .
C25 C 0.16008(18) 1.1256(2) 0.31370(12) 0.0113(4) Uani 1 1 d . . .
C26 C 0.20037(18) 1.1702(2) 0.26021(12) 0.0134(5) Uani 1 1 d . . .
C27 C 0.2152(2) 1.2911(2) 0.25580(14) 0.0185(5) Uani 1 1 d . . .
H27 H 0.2443 1.3217 0.2207 0.022 Uiso 1 1 calc R . .
C28 C 0.1883(2) 1.3669(2) 0.30170(14) 0.0206(6) Uani 1 1 d . . .
H28 H 0.2025 1.4485 0.2997 0.025 Uiso 1 1 calc R . .
C29 C 0.1406(2) 1.3239(2) 0.35057(13) 0.0190(5) Uani 1 1 d . . .
H29 H 0.1181 1.3773 0.3802 0.023 Uiso 1 1 calc R . .
C30 C 0.12459(19) 1.2033(2) 0.35732(12) 0.0151(5) Uani 1 1 d . . .
C31 C 0.2218(2) 1.0901(2) 0.20540(13) 0.0184(5) Uani 1 1 d . . .
H31 H 0.2376 1.0102 0.2239 0.022 Uiso 1 1 calc R . .
C32 C 0.1306(3) 1.0790(3) 0.15445(15) 0.0293(7) Uani 1 1 d . . .
H32A H 0.0755 1.0497 0.1748 0.044 Uiso 1 1 calc R . .
H32B H 0.1441 1.0240 0.1207 0.044 Uiso 1 1 calc R . .
H32C H 0.1139 1.1562 0.1352 0.044 Uiso 1 1 calc R . .
C33 C 0.3087(2) 1.1304(3) 0.17243(14) 0.0239(6) Uani 1 1 d . . .
H33A H 0.3272 1.0673 0.1447 0.036 Uiso 1 1 calc R . .
H33B H 0.3645 1.1494 0.2054 0.036 Uiso 1 1 calc R . .
H33C H 0.2898 1.2004 0.1462 0.036 Uiso 1 1 calc R . .
C34 C 0.0625(2) 1.1610(3) 0.40694(14) 0.0217(6) Uani 1 1 d . . .
H34 H 0.0835 1.0791 0.4197 0.026 Uiso 1 1 calc R . .
C35 C 0.0707(3) 1.2355(3) 0.46795(15) 0.0308(7) Uani 1 1 d . . .
H35A H 0.1401 1.2466 0.4853 0.046 Uiso 1 1 calc R . .
H35B H 0.0372 1.1956 0.5002 0.046 Uiso 1 1 calc R . .
H35C H 0.0399 1.3122 0.4577 0.046 Uiso 1 1 calc R . .
C36 C -0.0463(2) 1.1570(3) 0.37615(17) 0.0318(7) Uani 1 1 d . . .
H36A H -0.0685 1.2365 0.3632 0.048 Uiso 1 1 calc R . .
H36B H -0.0862 1.1260 0.4076 0.048 Uiso 1 1 calc R . .
H36C H -0.0532 1.1058 0.3381 0.048 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 C4 2.115(3) . ?
Pt1 C2 2.115(3) . ?
Pt1 C1 2.117(3) . ?
Pt1 C3 2.121(3) . ?
Pt1 P1 2.2866(6) . ?
P1 C6 1.823(3) . ?
P1 C5 1.839(3) . ?
P1 C7 1.856(3) . ?
C1 C2 1.425(4) . ?
C1 H1A 1.00(4) . ?
C1 H1B 0.91(4) . ?
C2 H2A 1.00(3) . ?
C2 H2B 0.92(4) . ?
C3 C4 1.414(4) . ?
C3 H3A 0.96(4) . ?
C3 H3B 0.97(3) . ?
C4 H4A 0.89(3) . ?
C4 H4B 0.97(3) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C12 1.421(3) . ?
C7 C8 1.422(3) . ?
C8 C9 1.394(4) . ?
C8 C13 1.505(3) . ?
C9 C10 1.371(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.387(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.396(4) . ?
C11 H11 0.9500 . ?
C12 C25 1.512(3) . ?
C13 C18 1.403(3) . ?
C13 C14 1.405(3) . ?
C14 C15 1.394(4) . ?
C14 C19 1.520(4) . ?
C15 C16 1.382(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.377(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.399(4) . ?
C17 H17 0.9500 . ?
C18 C22 1.518(4) . ?
C19 C21 1.527(4) . ?
C19 C20 1.532(4) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.528(4) . ?
C22 C24 1.533(4) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C30 1.407(3) . ?
C25 C26 1.412(3) . ?
C26 C27 1.395(3) . ?
C26 C31 1.525(4) . ?
C27 C28 1.380(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.380(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.399(4) . ?
C29 H29 0.9500 . ?
C30 C34 1.513(4) . ?
C31 C32 1.531(4) . ?
C31 C33 1.532(4) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.522(4) . ?
C34 C36 1.543(4) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C4 Pt1 C2 132.50(12) . . ?
C4 Pt1 C1 171.84(11) . . ?
C2 Pt1 C1 39.34(12) . . ?
C4 Pt1 C3 39.01(11) . . ?
C2 Pt1 C3 93.55(12) . . ?
C1 Pt1 C3 132.84(12) . . ?
C4 Pt1 P1 93.74(8) . . ?
C2 Pt1 P1 133.23(8) . . ?
C1 Pt1 P1 94.35(9) . . ?
C3 Pt1 P1 132.64(8) . . ?
C6 P1 C5 98.20(13) . . ?
C6 P1 C7 105.20(12) . . ?
C5 P1 C7 110.37(11) . . ?
C6 P1 Pt1 115.88(9) . . ?
C5 P1 Pt1 106.63(9) . . ?
C7 P1 Pt1 118.65(8) . . ?
C2 C1 Pt1 70.25(18) . . ?
C2 C1 H1A 112(2) . . ?
Pt1 C1 H1A 106(2) . . ?
C2 C1 H1B 119(3) . . ?
Pt1 C1 H1B 117(3) . . ?
H1A C1 H1B 121(4) . . ?
C1 C2 Pt1 70.41(17) . . ?
C1 C2 H2A 119.2(18) . . ?
Pt1 C2 H2A 108.8(18) . . ?
C1 C2 H2B 124(2) . . ?
Pt1 C2 H2B 121(2) . . ?
H2A C2 H2B 108(3) . . ?
C4 C3 Pt1 70.25(15) . . ?
C4 C3 H3A 115(2) . . ?
Pt1 C3 H3A 115(2) . . ?
C4 C3 H3B 120.3(19) . . ?
Pt1 C3 H3B 111.8(19) . . ?
H3A C3 H3B 116(3) . . ?
C3 C4 Pt1 70.74(16) . . ?
C3 C4 H4A 123(2) . . ?
Pt1 C4 H4A 111(2) . . ?
C3 C4 H4B 119.3(19) . . ?
Pt1 C4 H4B 110.2(19) . . ?
H4A C4 H4B 114(3) . . ?
P1 C5 H5A 109.5 . . ?
P1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
P1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P1 C6 H6A 109.5 . . ?
P1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
P1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 C7 C8 117.9(2) . . ?
C12 C7 P1 117.85(17) . . ?
C8 C7 P1 124.20(19) . . ?
C9 C8 C7 119.6(2) . . ?
C9 C8 C13 114.6(2) . . ?
C7 C8 C13 125.5(2) . . ?
C10 C9 C8 122.2(2) . . ?
C10 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
C9 C10 C11 118.8(2) . . ?
C9 C10 H10 120.6 . . ?
C11 C10 H10 120.6 . . ?
C10 C11 C12 121.5(2) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C11 C12 C7 119.9(2) . . ?
C11 C12 C25 116.2(2) . . ?
C7 C12 C25 123.7(2) . . ?
C18 C13 C14 120.5(2) . . ?
C18 C13 C8 121.4(2) . . ?
C14 C13 C8 117.9(2) . . ?
C15 C14 C13 118.8(2) . . ?
C15 C14 C19 118.5(2) . . ?
C13 C14 C19 122.5(2) . . ?
C16 C15 C14 121.1(2) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C15 119.6(3) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C18 121.5(2) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C13 118.4(2) . . ?
C17 C18 C22 119.9(2) . . ?
C13 C18 C22 121.7(2) . . ?
C14 C19 C21 112.9(3) . . ?
C14 C19 C20 109.2(2) . . ?
C21 C19 C20 110.1(2) . . ?
C14 C19 H19 108.2 . . ?
C21 C19 H19 108.2 . . ?
C20 C19 H19 108.2 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 C23 111.3(2) . . ?
C18 C22 C24 112.9(2) . . ?
C23 C22 C24 108.9(2) . . ?
C18 C22 H22 107.9 . . ?
C23 C22 H22 107.9 . . ?
C24 C22 H22 107.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 120.0(2) . . ?
C30 C25 C12 121.2(2) . . ?
C26 C25 C12 118.7(2) . . ?
C27 C26 C25 119.0(2) . . ?
C27 C26 C31 119.5(2) . . ?
C25 C26 C31 121.4(2) . . ?
C28 C27 C26 120.9(2) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C27 C28 C29 119.8(2) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C28 C29 C30 121.3(2) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C29 C30 C25 118.4(2) . . ?
C29 C30 C34 119.5(2) . . ?
C25 C30 C34 121.8(2) . . ?
C26 C31 C32 110.2(2) . . ?
C26 C31 C33 114.0(2) . . ?
C32 C31 C33 109.0(2) . . ?
C26 C31 H31 107.8 . . ?
C32 C31 H31 107.8 . . ?
C33 C31 H31 107.8 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 C35 114.6(3) . . ?
C30 C34 C36 109.4(2) . . ?
C35 C34 C36 108.5(3) . . ?
C30 C34 H34 108.0 . . ?
C35 C34 H34 108.0 . . ?
C36 C34 H34 108.0 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 Pt1 P1 C6 0.93(13) . . . . ?
C2 Pt1 P1 C6 -171.31(18) . . . . ?
C1 Pt1 P1 C6 -178.10(16) . . . . ?
C3 Pt1 P1 C6 -2.43(16) . . . . ?
C4 Pt1 P1 C5 109.01(13) . . . . ?
C2 Pt1 P1 C5 -63.23(18) . . . . ?
C1 Pt1 P1 C5 -70.02(15) . . . . ?
C3 Pt1 P1 C5 105.65(15) . . . . ?
C4 Pt1 P1 C7 -125.74(12) . . . . ?
C2 Pt1 P1 C7 62.02(18) . . . . ?
C1 Pt1 P1 C7 55.23(15) . . . . ?
C3 Pt1 P1 C7 -129.10(14) . . . . ?
C4 Pt1 C1 C2 -0.9(12) . . . . ?
C3 Pt1 C1 C2 -3.5(3) . . . . ?
P1 Pt1 C1 C2 172.2(2) . . . . ?
C4 Pt1 C2 C1 179.8(2) . . . . ?
C3 Pt1 C2 C1 177.5(2) . . . . ?
P1 Pt1 C2 C1 -10.7(3) . . . . ?
C2 Pt1 C3 C4 177.2(2) . . . . ?
C1 Pt1 C3 C4 179.4(2) . . . . ?
P1 Pt1 C3 C4 5.3(2) . . . . ?
C2 Pt1 C4 C3 -3.7(3) . . . . ?
C1 Pt1 C4 C3 -2.9(11) . . . . ?
P1 Pt1 C4 C3 -176.07(17) . . . . ?
C6 P1 C7 C12 -72.4(2) . . . . ?
C5 P1 C7 C12 -177.38(18) . . . . ?
Pt1 P1 C7 C12 59.2(2) . . . . ?
C6 P1 C7 C8 110.9(2) . . . . ?
C5 P1 C7 C8 5.9(2) . . . . ?
Pt1 P1 C7 C8 -117.49(19) . . . . ?
C12 C7 C8 C9 -5.0(3) . . . . ?
P1 C7 C8 C9 171.70(19) . . . . ?
C12 C7 C8 C13 168.3(2) . . . . ?
P1 C7 C8 C13 -15.0(3) . . . . ?
C7 C8 C9 C10 2.3(4) . . . . ?
C13 C8 C9 C10 -171.6(2) . . . . ?
C8 C9 C10 C11 1.8(4) . . . . ?
C9 C10 C11 C12 -3.3(4) . . . . ?
C10 C11 C12 C7 0.5(4) . . . . ?
C10 C11 C12 C25 175.2(2) . . . . ?
C8 C7 C12 C11 3.6(3) . . . . ?
P1 C7 C12 C11 -173.29(19) . . . . ?
C8 C7 C12 C25 -170.7(2) . . . . ?
P1 C7 C12 C25 12.4(3) . . . . ?
C9 C8 C13 C18 -86.0(3) . . . . ?
C7 C8 C13 C18 100.5(3) . . . . ?
C9 C8 C13 C14 88.4(3) . . . . ?
C7 C8 C13 C14 -85.1(3) . . . . ?
C18 C13 C14 C15 -2.3(4) . . . . ?
C8 C13 C14 C15 -176.8(2) . . . . ?
C18 C13 C14 C19 174.9(2) . . . . ?
C8 C13 C14 C19 0.4(4) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C19 C14 C15 C16 -177.7(3) . . . . ?
C14 C15 C16 C17 2.0(4) . . . . ?
C15 C16 C17 C18 -0.9(4) . . . . ?
C16 C17 C18 C13 -1.7(4) . . . . ?
C16 C17 C18 C22 178.0(3) . . . . ?
C14 C13 C18 C17 3.3(4) . . . . ?
C8 C13 C18 C17 177.6(2) . . . . ?
C14 C13 C18 C22 -176.4(2) . . . . ?
C8 C13 C18 C22 -2.2(4) . . . . ?
C15 C14 C19 C21 -55.3(3) . . . . ?
C13 C14 C19 C21 127.5(3) . . . . ?
C15 C14 C19 C20 67.5(3) . . . . ?
C13 C14 C19 C20 -109.7(3) . . . . ?
C17 C18 C22 C23 -86.2(3) . . . . ?
C13 C18 C22 C23 93.5(3) . . . . ?
C17 C18 C22 C24 36.6(3) . . . . ?
C13 C18 C22 C24 -143.7(2) . . . . ?
C11 C12 C25 C30 87.3(3) . . . . ?
C7 C12 C25 C30 -98.2(3) . . . . ?
C11 C12 C25 C26 -89.3(3) . . . . ?
C7 C12 C25 C26 85.2(3) . . . . ?
C30 C25 C26 C27 7.7(4) . . . . ?
C12 C25 C26 C27 -175.6(2) . . . . ?
C30 C25 C26 C31 -168.4(2) . . . . ?
C12 C25 C26 C31 8.3(4) . . . . ?
C25 C26 C27 C28 -2.1(4) . . . . ?
C31 C26 C27 C28 174.1(3) . . . . ?
C26 C27 C28 C29 -4.0(4) . . . . ?
C27 C28 C29 C30 4.4(4) . . . . ?
C28 C29 C30 C25 1.2(4) . . . . ?
C28 C29 C30 C34 -173.4(3) . . . . ?
C26 C25 C30 C29 -7.3(4) . . . . ?
C12 C25 C30 C29 176.2(2) . . . . ?
C26 C25 C30 C34 167.2(2) . . . . ?
C12 C25 C30 C34 -9.3(4) . . . . ?
C27 C26 C31 C32 -88.5(3) . . . . ?
C25 C26 C31 C32 87.6(3) . . . . ?
C27 C26 C31 C33 34.4(4) . . . . ?
C25 C26 C31 C33 -149.5(2) . . . . ?
C29 C30 C34 C35 -33.5(4) . . . . ?
C25 C30 C34 C35 152.1(3) . . . . ?
C29 C30 C34 C36 88.7(3) . . . . ?
C25 C30 C34 C36 -85.8(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        30.65
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.317
_refine_diff_density_min         -1.726
_refine_diff_density_rms         0.170
####################################################################### 
# 
# 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 1416068'
_audit_update_record             
;
2015-07-30 deposited with the CCDC.
2015-09-25 downloaded from the CCDC.
;

_vrf_PLAT411_3                   
;
PROBLEM: Short Inter H...H Contact  H1AB   ..  H18     ..       1.79 Ang. 

RESPONSE: The hydrogen atoms were included in
geometrically calculated position and 
were refined according to the riding model. 

;


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H55 P Pt'
_chemical_formula_weight         737.88

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.9449(6)
_cell_length_b                   12.8244(7)
_cell_length_c                   14.3077(8)
_cell_angle_alpha                82.197(2)
_cell_angle_beta                 86.808(2)
_cell_angle_gamma                72.959(2)
_cell_volume                     1728.25(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9079
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      28.35

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             752
_exptl_absorpt_coefficient_mu    4.129
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4910
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA. 
;


_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13503
_diffrn_reflns_av_R_equivalents  0.0161
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         28.38
_reflns_number_total             8429
_reflns_number_gt                6837
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+5.8975P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8429
_refine_ls_number_parameters     441
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0489
_refine_ls_wR_factor_ref         0.0993
_refine_ls_wR_factor_gt          0.0914
_refine_ls_goodness_of_fit_ref   1.284
_refine_ls_restrained_S_all      1.285
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.3100(4) 0.18221(10) 0.16394(15) 0.0367(4) Uani 0.537(8) 1 d PU A 2
C1A C 0.2466(19) 0.0504(8) 0.1160(12) 0.091(8) Uani 0.537(8) 1 d PD A 1
H1AA H 0.3222 0.0217 0.0702 0.109 Uiso 0.537(8) 1 calc PR A 1
H1AB H 0.2166 -0.0076 0.1571 0.109 Uiso 0.537(8) 1 calc PR A 1
C2A C 0.1408(10) 0.1452(6) 0.0839(6) 0.033(2) Uani 0.537(8) 1 d PDU A 1
H2A H 0.0474 0.1426 0.1120 0.039 Uiso 0.537(8) 1 calc PR A 1
C3A C 0.126(3) 0.2002(16) -0.0173(15) 0.034(5) Uani 0.537(8) 1 d PD A 1
C4A C 0.014(3) 0.3116(12) -0.023(2) 0.045(6) Uani 0.537(8) 1 d PD A 1
H4AA H -0.0753 0.3016 0.0040 0.068 Uiso 0.537(8) 1 calc PR A 1
H4AB H 0.0007 0.3446 -0.0885 0.068 Uiso 0.537(8) 1 calc PR A 1
H4AC H 0.0441 0.3602 0.0136 0.068 Uiso 0.537(8) 1 calc PR A 1
C5A C 0.098(3) 0.121(2) -0.086(2) 0.056(8) Uani 0.537(8) 1 d PD A 2
H5AA H 0.1501 0.0431 -0.0712 0.085 Uiso 0.537(8) 1 calc PR A 2
H5AB H 0.1385 0.1525 -0.1430 0.085 Uiso 0.537(8) 1 calc PR A 2
H5AC H -0.0008 0.1281 -0.0960 0.085 Uiso 0.537(8) 1 calc PR A 2
C6A C 0.2635(11) 0.2085(8) -0.0641(6) 0.040(2) Uani 0.537(8) 1 d PD A 1
H6AA H 0.3051 0.2511 -0.0285 0.060 Uiso 0.537(8) 1 calc PR A 1
H6AB H 0.2461 0.2451 -0.1289 0.060 Uiso 0.537(8) 1 calc PR A 1
H6AC H 0.3285 0.1345 -0.0653 0.060 Uiso 0.537(8) 1 calc PR A 1
C1B C 0.339(2) 0.0614(9) 0.0726(11) 0.065(6) Uani 0.463(8) 1 d PD A 2
H1BA H 0.4360 0.0314 0.0482 0.078 Uiso 0.463(8) 1 calc PR A 2
H1BB H 0.2896 0.0048 0.0903 0.078 Uiso 0.463(8) 1 calc PR A 2
C2B C 0.2594(13) 0.1621(8) 0.0256(8) 0.043(3) Uani 0.463(8) 1 d PD A 2
H2B H 0.3157 0.1938 -0.0245 0.052 Uiso 0.463(8) 1 calc PR A 2
C3B C 0.109(3) 0.1823(17) -0.0036(19) 0.039(7) Uani 0.463(8) 1 d PD A 2
C4B C 0.045(4) 0.3064(18) -0.026(3) 0.055(8) Uani 0.463(8) 1 d PD A 2
H4BA H 0.1014 0.3355 -0.0755 0.082 Uiso 0.463(8) 1 calc PR A 2
H4BB H 0.0423 0.3416 0.0306 0.082 Uiso 0.463(8) 1 calc PR A 2
H4BC H -0.0514 0.3217 -0.0488 0.082 Uiso 0.463(8) 1 calc PR A 2
C5B C 0.057(3) 0.133(3) -0.069(2) 0.045(6) Uani 0.463(8) 1 d PD A 1
H5BA H 0.1191 0.0576 -0.0673 0.068 Uiso 0.463(8) 1 calc PR A 1
H5BB H 0.0420 0.1663 -0.1351 0.068 Uiso 0.463(8) 1 calc PR A 1
H5BC H -0.0333 0.1321 -0.0389 0.068 Uiso 0.463(8) 1 calc PR A 1
C6B C 0.031(2) 0.1400(17) 0.0808(12) 0.089(6) Uani 0.463(8) 1 d PD A 2
H6BA H 0.0724 0.0605 0.0959 0.133 Uiso 0.463(8) 1 calc PR A 2
H6BB H -0.0683 0.1558 0.0655 0.133 Uiso 0.463(8) 1 calc PR A 2
H6BC H 0.0389 0.1765 0.1353 0.133 Uiso 0.463(8) 1 calc PR A 2
P1 P 0.23050(12) 0.35620(8) 0.20336(7) 0.0222(2) Uani 1 1 d . . .
C7 C 0.2733(5) 0.4535(4) 0.1110(3) 0.0292(10) Uani 1 1 d . A .
H7A H 0.2180 0.4589 0.0550 0.044 Uiso 1 1 calc R . .
H7B H 0.3738 0.4283 0.0949 0.044 Uiso 1 1 calc R . .
H7C H 0.2514 0.5257 0.1331 0.044 Uiso 1 1 calc R . .
C8 C 0.0493(5) 0.4275(5) 0.2306(3) 0.0431(13) Uani 1 1 d . A .
H8A H 0.0439 0.4999 0.2481 0.065 Uiso 1 1 calc R . .
H8B H 0.0145 0.3846 0.2833 0.065 Uiso 1 1 calc R . .
H8C H -0.0085 0.4366 0.1751 0.065 Uiso 1 1 calc R . .
C9 C 0.3238(4) 0.3558(3) 0.3112(3) 0.0208(8) Uani 1 1 d . A .
C10 C 0.3317(4) 0.4469(3) 0.3540(3) 0.0215(8) Uani 1 1 d . . .
C11 C 0.3936(4) 0.4271(4) 0.4427(3) 0.0248(9) Uani 1 1 d . A .
H11 H 0.3980 0.4877 0.4726 0.030 Uiso 1 1 calc R . .
C12 C 0.4484(5) 0.3215(4) 0.4880(3) 0.0264(9) Uani 1 1 d . . .
H12 H 0.4849 0.3102 0.5497 0.032 Uiso 1 1 calc R A .
C13 C 0.4495(4) 0.2333(3) 0.4430(3) 0.0235(8) Uani 1 1 d . A .
H13 H 0.4925 0.1609 0.4723 0.028 Uiso 1 1 calc R . .
C14 C 0.3882(4) 0.2487(3) 0.3546(3) 0.0209(8) Uani 1 1 d . . .
C15 C 0.2910(5) 0.5643(3) 0.3081(3) 0.0267(9) Uani 1 1 d . A .
C16 C 0.1647(5) 0.6400(4) 0.3336(3) 0.0326(11) Uani 1 1 d . . .
C17 C 0.1374(7) 0.7492(4) 0.2932(4) 0.0502(15) Uani 1 1 d . A .
H17 H 0.0520 0.8008 0.3091 0.060 Uiso 1 1 calc R . .
C18 C 0.2280(8) 0.7839(5) 0.2324(5) 0.064(2) Uani 1 1 d . . .
H18 H 0.2060 0.8591 0.2064 0.076 Uiso 1 1 calc R A .
C19 C 0.3529(8) 0.7108(5) 0.2075(4) 0.0567(18) Uani 1 1 d . A .
H19 H 0.4159 0.7360 0.1642 0.068 Uiso 1 1 calc R . .
C20 C 0.3879(6) 0.5990(4) 0.2458(3) 0.0361(11) Uani 1 1 d . . .
C21 C 0.0630(5) 0.6089(4) 0.4067(4) 0.0381(11) Uani 1 1 d . A .
H21 H 0.0851 0.5270 0.4160 0.046 Uiso 1 1 calc R . .
C22 C 0.0822(7) 0.6458(5) 0.4998(4) 0.0555(16) Uani 1 1 d . . .
H22A H 0.1765 0.6062 0.5235 0.083 Uiso 1 1 calc R A .
H22B H 0.0114 0.6301 0.5456 0.083 Uiso 1 1 calc R . .
H22C H 0.0712 0.7250 0.4908 0.083 Uiso 1 1 calc R . .
C23 C -0.0923(6) 0.6574(5) 0.3781(5) 0.0509(15) Uani 1 1 d . . .
H23A H -0.1518 0.6268 0.4241 0.076 Uiso 1 1 calc R A .
H23B H -0.1041 0.6388 0.3154 0.076 Uiso 1 1 calc R . .
H23C H -0.1197 0.7375 0.3765 0.076 Uiso 1 1 calc R . .
C24 C 0.5289(6) 0.5216(5) 0.2233(3) 0.0451(14) Uani 1 1 d . A .
H24 H 0.5191 0.4455 0.2326 0.054 Uiso 1 1 calc R . .
C25 C 0.5848(9) 0.5421(7) 0.1222(4) 0.075(2) Uani 1 1 d . . .
H25A H 0.5111 0.5485 0.0772 0.113 Uiso 1 1 calc R A .
H25B H 0.6668 0.4806 0.1104 0.113 Uiso 1 1 calc R . .
H25C H 0.6120 0.6104 0.1145 0.113 Uiso 1 1 calc R . .
C26 C 0.6400(6) 0.5249(6) 0.2925(4) 0.0535(16) Uani 1 1 d . . .
H26A H 0.6524 0.5986 0.2849 0.080 Uiso 1 1 calc R A .
H26B H 0.7296 0.4711 0.2794 0.080 Uiso 1 1 calc R . .
H26C H 0.6089 0.5069 0.3573 0.080 Uiso 1 1 calc R . .
C27 C 0.4024(5) 0.1466(3) 0.3094(3) 0.0269(9) Uani 1 1 d . A .
C28 C 0.3382(5) 0.0657(3) 0.3554(3) 0.0299(10) Uani 1 1 d . . .
C29 C 0.3948(5) -0.0432(4) 0.3406(3) 0.0322(10) Uani 1 1 d . A .
H29 H 0.3524 -0.0966 0.3710 0.039 Uiso 1 1 calc R . .
C30 C 0.5115(6) -0.0764(4) 0.2827(3) 0.0391(12) Uani 1 1 d . . .
H30 H 0.5514 -0.1522 0.2767 0.047 Uiso 1 1 calc R A .
C31 C 0.5699(7) -0.0002(4) 0.2338(4) 0.0445(13) Uani 1 1 d . A .
H31 H 0.6477 -0.0239 0.1924 0.053 Uiso 1 1 calc R . .
C32 C 0.5168(6) 0.1128(4) 0.2439(3) 0.0335(11) Uani 1 1 d . . .
C33 C 0.2097(5) 0.0996(4) 0.4183(4) 0.0340(11) Uani 1 1 d . A .
H33 H 0.1884 0.1802 0.4215 0.041 Uiso 1 1 calc R . .
C34 C 0.0829(6) 0.0801(4) 0.3762(5) 0.0478(14) Uani 1 1 d . . .
H34A H 0.0704 0.1167 0.3112 0.072 Uiso 1 1 calc R A .
H34B H -0.0015 0.1100 0.4139 0.072 Uiso 1 1 calc R . .
H34C H 0.0984 0.0010 0.3764 0.072 Uiso 1 1 calc R . .
C35 C 0.2343(6) 0.0404(4) 0.5189(4) 0.0391(11) Uani 1 1 d . . .
H35A H 0.2538 -0.0389 0.5178 0.059 Uiso 1 1 calc R A .
H35B H 0.1501 0.0670 0.5578 0.059 Uiso 1 1 calc R . .
H35C H 0.3146 0.0552 0.5453 0.059 Uiso 1 1 calc R . .
C36 C 0.6021(6) 0.1897(4) 0.2018(3) 0.0403(12) Uani 1 1 d . A .
H36 H 0.5452 0.2660 0.2113 0.048 Uiso 1 1 calc R . .
C37 C 0.6279(8) 0.1879(5) 0.0952(4) 0.0622(19) Uani 1 1 d . . .
H37A H 0.6734 0.2444 0.0704 0.093 Uiso 1 1 calc R A .
H37B H 0.5379 0.2027 0.0639 0.093 Uiso 1 1 calc R . .
H37C H 0.6889 0.1155 0.0833 0.093 Uiso 1 1 calc R . .
C38 C 0.7378(7) 0.1656(5) 0.2544(4) 0.0547(15) Uani 1 1 d . . .
H38A H 0.7165 0.1722 0.3214 0.082 Uiso 1 1 calc R A .
H38B H 0.7886 0.2183 0.2285 0.082 Uiso 1 1 calc R . .
H38C H 0.7962 0.0909 0.2473 0.082 Uiso 1 1 calc R . .
Pt0A Pt 0.2594(4) 0.18562(14) 0.17943(13) 0.0321(4) Uani 0.463(8) 1 d PU A 1


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1B 2.106(13) . ?
Pt1 C2B 2.137(11) . ?
Pt1 C27 2.257(4) . ?
Pt1 P1 2.2760(15) . ?
Pt1 C32 2.289(5) . ?
C1A C2A 1.396(11) . ?
C1A Pt0A 2.101(12) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C2A C3A 1.52(2) . ?
C2A Pt0A 2.063(8) . ?
C2A H2A 1.0000 . ?
C3A C6A 1.52(3) . ?
C3A C4A 1.527(13) . ?
C3A C5B 1.528(13) . ?
C4A H4AA 0.9800 . ?
C4A H4AB 0.9800 . ?
C4A H4AC 0.9800 . ?
C5A C3B 1.527(13) . ?
C5A H5AA 0.9800 . ?
C5A H5AB 0.9800 . ?
C5A H5AC 0.9800 . ?
C6A H6AA 0.9800 . ?
C6A H6AB 0.9800 . ?
C6A H6AC 0.9800 . ?
C1B C2B 1.404(11) . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?
C2B C3B 1.51(2) . ?
C2B H2B 1.0000 . ?
C3B C6B 1.52(4) . ?
C3B C4B 1.528(13) . ?
C4B H4BA 0.9800 . ?
C4B H4BB 0.9800 . ?
C4B H4BC 0.9800 . ?
C5B H5BA 0.9800 . ?
C5B H5BB 0.9800 . ?
C5B H5BC 0.9800 . ?
C6B H6BA 0.9800 . ?
C6B H6BB 0.9800 . ?
C6B H6BC 0.9800 . ?
P1 C7 1.812(4) . ?
P1 C8 1.814(5) . ?
P1 C9 1.843(4) . ?
P1 Pt0A 2.1931(18) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C14 1.407(5) . ?
C9 C10 1.414(5) . ?
C10 C11 1.400(5) . ?
C10 C15 1.506(6) . ?
C11 C12 1.385(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.372(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.400(5) . ?
C13 H13 0.9500 . ?
C14 C27 1.505(5) . ?
C15 C20 1.403(7) . ?
C15 C16 1.409(7) . ?
C16 C17 1.394(7) . ?
C16 C21 1.511(8) . ?
C17 C18 1.345(10) . ?
C17 H17 0.9500 . ?
C18 C19 1.381(10) . ?
C18 H18 0.9500 . ?
C19 C20 1.411(8) . ?
C19 H19 0.9500 . ?
C20 C24 1.509(8) . ?
C21 C22 1.513(7) . ?
C21 C23 1.542(7) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.537(7) . ?
C24 C26 1.537(7) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C32 1.436(7) . ?
C27 C28 1.440(7) . ?
C27 Pt0A 2.314(4) . ?
C28 C29 1.385(6) . ?
C28 C33 1.511(7) . ?
C29 C30 1.384(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.372(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.415(6) . ?
C31 H31 0.9500 . ?
C32 C36 1.525(7) . ?
C32 Pt0A 2.627(6) . ?
C33 C34 1.525(7) . ?
C33 C35 1.530(7) . ?
C33 H33 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C38 1.513(8) . ?
C36 C37 1.534(7) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1B Pt1 C2B 38.6(3) . . ?
C1B Pt1 C27 123.0(3) . . ?
C2B Pt1 C27 161.6(3) . . ?
C1B Pt1 P1 154.4(3) . . ?
C2B Pt1 P1 115.7(3) . . ?
C27 Pt1 P1 82.54(11) . . ?
C1B Pt1 C32 98.9(4) . . ?
C2B Pt1 C32 130.1(4) . . ?
C27 Pt1 C32 36.82(17) . . ?
P1 Pt1 C32 102.44(13) . . ?
C2A C1A Pt0A 69.0(6) . . ?
C2A C1A H1AA 116.8 . . ?
Pt0A C1A H1AA 116.8 . . ?
C2A C1A H1AB 116.8 . . ?
Pt0A C1A H1AB 116.8 . . ?
H1AA C1A H1AB 113.8 . . ?
C1A C2A C3A 125.1(15) . . ?
C1A C2A Pt0A 71.9(6) . . ?
C3A C2A Pt0A 121.8(10) . . ?
C1A C2A H2A 110.9 . . ?
C3A C2A H2A 110.9 . . ?
Pt0A C2A H2A 110.9 . . ?
C2A C3A C6A 113.7(12) . . ?
C2A C3A C4A 110(2) . . ?
C6A C3A C4A 112(2) . . ?
C2A C3A C5B 106(2) . . ?
C6A C3A C5B 112(2) . . ?
C4A C3A C5B 102.6(18) . . ?
C3B C5A H5AA 109.5 . . ?
C3B C5A H5AB 109.5 . . ?
H5AA C5A H5AB 109.5 . . ?
C3B C5A H5AC 109.5 . . ?
H5AA C5A H5AC 109.5 . . ?
H5AB C5A H5AC 109.5 . . ?
C2B C1B Pt1 71.8(7) . . ?
C2B C1B H1BA 116.4 . . ?
Pt1 C1B H1BA 116.4 . . ?
C2B C1B H1BB 116.4 . . ?
Pt1 C1B H1BB 116.4 . . ?
H1BA C1B H1BB 113.4 . . ?
C1B C2B C3B 122.8(15) . . ?
C1B C2B Pt1 69.5(7) . . ?
C3B C2B Pt1 121.9(14) . . ?
C1B C2B H2B 112.1 . . ?
C3B C2B H2B 112.1 . . ?
Pt1 C2B H2B 112.1 . . ?
C2B C3B C6B 107.3(15) . . ?
C2B C3B C5A 113(2) . . ?
C6B C3B C5A 108(2) . . ?
C2B C3B C4B 108(2) . . ?
C6B C3B C4B 109(2) . . ?
C5A C3B C4B 112(2) . . ?
C3B C4B H4BA 109.5 . . ?
C3B C4B H4BB 109.5 . . ?
H4BA C4B H4BB 109.5 . . ?
C3B C4B H4BC 109.5 . . ?
H4BA C4B H4BC 109.5 . . ?
H4BB C4B H4BC 109.5 . . ?
C3B C6B H6BA 109.5 . . ?
C3B C6B H6BB 109.5 . . ?
H6BA C6B H6BB 109.5 . . ?
C3B C6B H6BC 109.5 . . ?
H6BA C6B H6BC 109.5 . . ?
H6BB C6B H6BC 109.5 . . ?
C7 P1 C8 101.3(3) . . ?
C7 P1 C9 108.89(19) . . ?
C8 P1 C9 103.3(2) . . ?
C7 P1 Pt0A 120.50(17) . . ?
C8 P1 Pt0A 112.7(2) . . ?
C9 P1 Pt0A 108.72(14) . . ?
C7 P1 Pt1 110.69(18) . . ?
C8 P1 Pt1 125.7(2) . . ?
C9 P1 Pt1 106.08(13) . . ?
Pt0A P1 Pt1 13.48(3) . . ?
P1 C7 H7A 109.5 . . ?
P1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
P1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P1 C8 H8A 109.5 . . ?
P1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
P1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C14 C9 C10 119.4(3) . . ?
C14 C9 P1 112.3(3) . . ?
C10 C9 P1 128.2(3) . . ?
C11 C10 C9 118.3(4) . . ?
C11 C10 C15 116.3(4) . . ?
C9 C10 C15 125.1(3) . . ?
C12 C11 C10 121.8(4) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C13 C12 C11 119.5(4) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C12 C13 C14 120.9(4) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C13 C14 C9 119.8(4) . . ?
C13 C14 C27 116.4(3) . . ?
C9 C14 C27 123.8(3) . . ?
C20 C15 C16 120.6(4) . . ?
C20 C15 C10 118.3(4) . . ?
C16 C15 C10 120.8(4) . . ?
C17 C16 C15 118.1(5) . . ?
C17 C16 C21 119.1(5) . . ?
C15 C16 C21 122.7(4) . . ?
C18 C17 C16 122.2(6) . . ?
C18 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
C17 C18 C19 120.2(6) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
C18 C19 C20 120.7(6) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C15 C20 C19 118.0(6) . . ?
C15 C20 C24 121.7(4) . . ?
C19 C20 C24 120.2(5) . . ?
C16 C21 C22 109.9(5) . . ?
C16 C21 C23 113.4(5) . . ?
C22 C21 C23 109.0(4) . . ?
C16 C21 H21 108.1 . . ?
C22 C21 H21 108.1 . . ?
C23 C21 H21 108.1 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 C25 115.3(6) . . ?
C20 C24 C26 110.4(4) . . ?
C25 C24 C26 108.4(5) . . ?
C20 C24 H24 107.5 . . ?
C25 C24 H24 107.5 . . ?
C26 C24 H24 107.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C32 C27 C28 118.6(4) . . ?
C32 C27 C14 118.6(4) . . ?
C28 C27 C14 118.9(4) . . ?
C32 C27 Pt1 72.8(3) . . ?
C28 C27 Pt1 102.2(3) . . ?
C14 C27 Pt1 113.2(2) . . ?
C32 C27 Pt0A 85.5(3) . . ?
C28 C27 Pt0A 93.0(3) . . ?
C14 C27 Pt0A 110.8(2) . . ?
Pt1 C27 Pt0A 13.26(4) . . ?
C29 C28 C27 119.2(5) . . ?
C29 C28 C33 120.5(4) . . ?
C27 C28 C33 120.3(4) . . ?
C30 C29 C28 121.7(5) . . ?
C30 C29 H29 119.2 . . ?
C28 C29 H29 119.2 . . ?
C31 C30 C29 120.3(4) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 121.4(5) . . ?
C30 C31 H31 119.3 . . ?
C32 C31 H31 119.3 . . ?
C31 C32 C27 118.5(4) . . ?
C31 C32 C36 118.4(5) . . ?
C27 C32 C36 121.7(4) . . ?
C31 C32 Pt1 108.2(4) . . ?
C27 C32 Pt1 70.4(3) . . ?
C36 C32 Pt1 102.6(3) . . ?
C31 C32 Pt0A 108.6(4) . . ?
C27 C32 Pt0A 61.4(2) . . ?
C36 C32 Pt0A 109.9(3) . . ?
Pt1 C32 Pt0A 9.58(6) . . ?
C28 C33 C34 110.5(4) . . ?
C28 C33 C35 112.1(4) . . ?
C34 C33 C35 110.6(4) . . ?
C28 C33 H33 107.8 . . ?
C34 C33 H33 107.8 . . ?
C35 C33 H33 107.8 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C38 C36 C32 110.8(4) . . ?
C38 C36 C37 112.0(5) . . ?
C32 C36 C37 112.6(5) . . ?
C38 C36 H36 107.0 . . ?
C32 C36 H36 107.0 . . ?
C37 C36 H36 107.0 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C2A Pt0A C1A 39.2(3) . . ?
C2A Pt0A P1 122.1(3) . . ?
C1A Pt0A P1 160.4(3) . . ?
C2A Pt0A C27 153.4(2) . . ?
C1A Pt0A C27 116.4(3) . . ?
P1 Pt0A C27 83.06(11) . . ?
C2A Pt0A C32 137.7(3) . . ?
C1A Pt0A C32 100.9(4) . . ?
P1 Pt0A C32 94.75(13) . . ?
C27 Pt0A C32 33.02(16) . . ?

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
Pt0A C1A C2A C3A 116.6(13) . . . . ?
C1A C2A C3A C6A -43.4(18) . . . . ?
Pt0A C2A C3A C6A 45.9(17) . . . . ?
C1A C2A C3A C4A -170.4(15) . . . . ?
Pt0A C2A C3A C4A -81(2) . . . . ?
C1A C2A C3A C5B 79(2) . . . . ?
Pt0A C2A C3A C5B 168.8(14) . . . . ?
C27 Pt1 C1B C2B -178.3(7) . . . . ?
P1 Pt1 C1B C2B -2(2) . . . . ?
C32 Pt1 C1B C2B -148.1(9) . . . . ?
Pt1 C1B C2B C3B -115.4(17) . . . . ?
C27 Pt1 C2B C1B 4.6(19) . . . . ?
P1 Pt1 C2B C1B 179.0(11) . . . . ?
C32 Pt1 C2B C1B 43.0(12) . . . . ?
C1B Pt1 C2B C3B 116.7(18) . . . . ?
C27 Pt1 C2B C3B 121.4(15) . . . . ?
P1 Pt1 C2B C3B -64.3(14) . . . . ?
C32 Pt1 C2B C3B 159.7(12) . . . . ?
C1B C2B C3B C6B 47(2) . . . . ?
Pt1 C2B C3B C6B -38.1(18) . . . . ?
C1B C2B C3B C5A -72(3) . . . . ?
Pt1 C2B C3B C5A -156.6(19) . . . . ?
C1B C2B C3B C4B 164(2) . . . . ?
Pt1 C2B C3B C4B 79(3) . . . . ?
C1B Pt1 P1 C7 -47.1(17) . . . . ?
C2B Pt1 P1 C7 -48.5(5) . . . . ?
C27 Pt1 P1 C7 129.7(2) . . . . ?
C32 Pt1 P1 C7 98.5(2) . . . . ?
C1B Pt1 P1 C8 74.8(17) . . . . ?
C2B Pt1 P1 C8 73.4(5) . . . . ?
C27 Pt1 P1 C8 -108.4(3) . . . . ?
C32 Pt1 P1 C8 -139.6(3) . . . . ?
C1B Pt1 P1 C9 -165.1(16) . . . . ?
C2B Pt1 P1 C9 -166.5(5) . . . . ?
C27 Pt1 P1 C9 11.7(2) . . . . ?
C32 Pt1 P1 C9 -19.5(2) . . . . ?
C1B Pt1 P1 Pt0A 91.6(16) . . . . ?
C2B Pt1 P1 Pt0A 90.2(5) . . . . ?
C27 Pt1 P1 Pt0A -91.6(3) . . . . ?
C32 Pt1 P1 Pt0A -122.8(4) . . . . ?
C7 P1 C9 C14 -134.6(3) . . . . ?
C8 P1 C9 C14 118.4(4) . . . . ?
Pt0A P1 C9 C14 -1.5(4) . . . . ?
Pt1 P1 C9 C14 -15.4(4) . . . . ?
C7 P1 C9 C10 48.1(5) . . . . ?
C8 P1 C9 C10 -58.9(5) . . . . ?
Pt0A P1 C9 C10 -178.9(4) . . . . ?
Pt1 P1 C9 C10 167.3(4) . . . . ?
C14 C9 C10 C11 -5.4(6) . . . . ?
P1 C9 C10 C11 171.8(3) . . . . ?
C14 C9 C10 C15 168.6(4) . . . . ?
P1 C9 C10 C15 -14.2(7) . . . . ?
C9 C10 C11 C12 1.1(6) . . . . ?
C15 C10 C11 C12 -173.4(4) . . . . ?
C10 C11 C12 C13 3.6(7) . . . . ?
C11 C12 C13 C14 -4.0(7) . . . . ?
C12 C13 C14 C9 -0.3(7) . . . . ?
C12 C13 C14 C27 176.8(4) . . . . ?
C10 C9 C14 C13 5.1(6) . . . . ?
P1 C9 C14 C13 -172.6(3) . . . . ?
C10 C9 C14 C27 -171.8(4) . . . . ?
P1 C9 C14 C27 10.6(5) . . . . ?
C11 C10 C15 C20 93.2(5) . . . . ?
C9 C10 C15 C20 -80.9(5) . . . . ?
C11 C10 C15 C16 -80.9(5) . . . . ?
C9 C10 C15 C16 105.0(5) . . . . ?
C20 C15 C16 C17 1.8(6) . . . . ?
C10 C15 C16 C17 175.8(4) . . . . ?
C20 C15 C16 C21 -174.5(4) . . . . ?
C10 C15 C16 C21 -0.6(6) . . . . ?
C15 C16 C17 C18 -0.9(8) . . . . ?
C21 C16 C17 C18 175.5(5) . . . . ?
C16 C17 C18 C19 0.2(9) . . . . ?
C17 C18 C19 C20 -0.4(9) . . . . ?
C16 C15 C20 C19 -2.0(6) . . . . ?
C10 C15 C20 C19 -176.1(4) . . . . ?
C16 C15 C20 C24 175.1(4) . . . . ?
C10 C15 C20 C24 0.9(6) . . . . ?
C18 C19 C20 C15 1.3(7) . . . . ?
C18 C19 C20 C24 -175.8(5) . . . . ?
C17 C16 C21 C22 -75.9(6) . . . . ?
C15 C16 C21 C22 100.4(5) . . . . ?
C17 C16 C21 C23 46.4(6) . . . . ?
C15 C16 C21 C23 -137.3(4) . . . . ?
C15 C20 C24 C25 146.2(5) . . . . ?
C19 C20 C24 C25 -36.8(6) . . . . ?
C15 C20 C24 C26 -90.5(5) . . . . ?
C19 C20 C24 C26 86.5(6) . . . . ?
C13 C14 C27 C32 -94.5(5) . . . . ?
C9 C14 C27 C32 82.5(5) . . . . ?
C13 C14 C27 C28 63.2(5) . . . . ?
C9 C14 C27 C28 -119.8(5) . . . . ?
C13 C14 C27 Pt1 -176.9(3) . . . . ?
C9 C14 C27 Pt1 0.1(6) . . . . ?
C13 C14 C27 Pt0A 169.1(3) . . . . ?
C9 C14 C27 Pt0A -14.0(5) . . . . ?
C1B Pt1 C27 C32 55.8(9) . . . . ?
C2B Pt1 C27 C32 52.4(15) . . . . ?
P1 Pt1 C27 C32 -122.5(3) . . . . ?
C1B Pt1 C27 C28 -60.7(9) . . . . ?
C2B Pt1 C27 C28 -64.1(15) . . . . ?
P1 Pt1 C27 C28 121.0(3) . . . . ?
C32 Pt1 C27 C28 -116.5(4) . . . . ?
C1B Pt1 C27 C14 170.2(8) . . . . ?
C2B Pt1 C27 C14 166.8(14) . . . . ?
P1 Pt1 C27 C14 -8.1(3) . . . . ?
C32 Pt1 C27 C14 114.4(4) . . . . ?
C1B Pt1 C27 Pt0A -107.4(10) . . . . ?
C2B Pt1 C27 Pt0A -110.9(15) . . . . ?
P1 Pt1 C27 Pt0A 74.3(2) . . . . ?
C32 Pt1 C27 Pt0A -163.2(4) . . . . ?
C32 C27 C28 C29 4.8(6) . . . . ?
C14 C27 C28 C29 -152.9(4) . . . . ?
Pt1 C27 C28 C29 81.7(4) . . . . ?
Pt0A C27 C28 C29 91.3(4) . . . . ?
C32 C27 C28 C33 -174.7(4) . . . . ?
C14 C27 C28 C33 27.6(6) . . . . ?
Pt1 C27 C28 C33 -97.8(4) . . . . ?
Pt0A C27 C28 C33 -88.1(4) . . . . ?
C27 C28 C29 C30 -0.1(6) . . . . ?
C33 C28 C29 C30 179.4(4) . . . . ?
C28 C29 C30 C31 -3.6(7) . . . . ?
C29 C30 C31 C32 2.5(8) . . . . ?
C30 C31 C32 C27 2.2(8) . . . . ?
C30 C31 C32 C36 169.1(5) . . . . ?
C30 C31 C32 Pt1 -74.8(5) . . . . ?
C30 C31 C32 Pt0A -64.7(6) . . . . ?
C28 C27 C32 C31 -5.8(6) . . . . ?
C14 C27 C32 C31 152.0(4) . . . . ?
Pt1 C27 C32 C31 -100.6(4) . . . . ?
Pt0A C27 C32 C31 -96.8(4) . . . . ?
C28 C27 C32 C36 -172.2(4) . . . . ?
C14 C27 C32 C36 -14.5(6) . . . . ?
Pt1 C27 C32 C36 93.0(4) . . . . ?
Pt0A C27 C32 C36 96.8(4) . . . . ?
C28 C27 C32 Pt1 94.8(4) . . . . ?
C14 C27 C32 Pt1 -107.5(3) . . . . ?
Pt0A C27 C32 Pt1 3.81(9) . . . . ?
C28 C27 C32 Pt0A 91.0(4) . . . . ?
C14 C27 C32 Pt0A -111.3(3) . . . . ?
Pt1 C27 C32 Pt0A -3.81(9) . . . . ?
C1B Pt1 C32 C31 -20.9(7) . . . . ?
C2B Pt1 C32 C31 -46.4(6) . . . . ?
C27 Pt1 C32 C31 114.6(5) . . . . ?
P1 Pt1 C32 C31 173.5(3) . . . . ?
C1B Pt1 C32 C27 -135.4(7) . . . . ?
C2B Pt1 C32 C27 -161.0(5) . . . . ?
P1 Pt1 C32 C27 58.9(3) . . . . ?
C1B Pt1 C32 C36 105.1(7) . . . . ?
C2B Pt1 C32 C36 79.6(6) . . . . ?
C27 Pt1 C32 C36 -119.5(4) . . . . ?
P1 Pt1 C32 C36 -60.6(3) . . . . ?
C1B Pt1 C32 Pt0A -114.9(8) . . . . ?
C2B Pt1 C32 Pt0A -140.4(7) . . . . ?
C27 Pt1 C32 Pt0A 20.5(5) . . . . ?
P1 Pt1 C32 Pt0A 79.4(3) . . . . ?
C29 C28 C33 C34 -64.5(5) . . . . ?
C27 C28 C33 C34 114.9(4) . . . . ?
C29 C28 C33 C35 59.3(6) . . . . ?
C27 C28 C33 C35 -121.2(4) . . . . ?
C31 C32 C36 C38 -67.9(6) . . . . ?
C27 C32 C36 C38 98.5(5) . . . . ?
Pt1 C32 C36 C38 173.1(4) . . . . ?
Pt0A C32 C36 C38 166.5(4) . . . . ?
C31 C32 C36 C37 58.3(6) . . . . ?
C27 C32 C36 C37 -135.2(5) . . . . ?
Pt1 C32 C36 C37 -60.7(5) . . . . ?
Pt0A C32 C36 C37 -67.2(5) . . . . ?
C3A C2A Pt0A C1A -120.6(17) . . . . ?
C1A C2A Pt0A P1 172.1(10) . . . . ?
C3A C2A Pt0A P1 51.5(14) . . . . ?
C1A C2A Pt0A C27 -28.4(13) . . . . ?
C3A C2A Pt0A C27 -149.0(13) . . . . ?
C1A C2A Pt0A C32 25.6(11) . . . . ?
C3A C2A Pt0A C32 -95.0(13) . . . . ?
C2A C1A Pt0A P1 -20(3) . . . . ?
C2A C1A Pt0A C27 166.3(6) . . . . ?
C2A C1A Pt0A C32 -162.8(7) . . . . ?
C7 P1 Pt0A C2A -66.5(4) . . . . ?
C8 P1 Pt0A C2A 53.0(4) . . . . ?
C9 P1 Pt0A C2A 166.9(4) . . . . ?
Pt1 P1 Pt0A C2A -112.3(4) . . . . ?
C7 P1 Pt0A C1A -52(2) . . . . ?
C8 P1 Pt0A C1A 68(2) . . . . ?
C9 P1 Pt0A C1A -178(2) . . . . ?
Pt1 P1 Pt0A C1A -97(2) . . . . ?
C7 P1 Pt0A C27 122.6(2) . . . . ?
C8 P1 Pt0A C27 -117.9(2) . . . . ?
C9 P1 Pt0A C27 -4.0(2) . . . . ?
Pt1 P1 Pt0A C27 76.8(3) . . . . ?
C7 P1 Pt0A C32 91.6(2) . . . . ?
C8 P1 Pt0A C32 -148.9(2) . . . . ?
C9 P1 Pt0A C32 -35.0(2) . . . . ?
Pt1 P1 Pt0A C32 45.9(3) . . . . ?
C32 C27 Pt0A C2A 87.5(9) . . . . ?
C28 C27 Pt0A C2A -31.0(9) . . . . ?
C14 C27 Pt0A C2A -153.5(8) . . . . ?
Pt1 C27 Pt0A C2A 103.6(10) . . . . ?
C32 C27 Pt0A C1A 67.9(8) . . . . ?
C28 C27 Pt0A C1A -50.6(8) . . . . ?
C14 C27 Pt0A C1A -173.1(8) . . . . ?
Pt1 C27 Pt0A C1A 84.0(9) . . . . ?
C32 C27 Pt0A P1 -109.9(3) . . . . ?
C28 C27 Pt0A P1 131.6(3) . . . . ?
C14 C27 Pt0A P1 9.1(3) . . . . ?
Pt1 C27 Pt0A P1 -93.8(3) . . . . ?
C28 C27 Pt0A C32 -118.5(4) . . . . ?
C14 C27 Pt0A C32 119.0(4) . . . . ?
Pt1 C27 Pt0A C32 16.0(4) . . . . ?
C31 C32 Pt0A C2A -25.5(6) . . . . ?
C27 C32 Pt0A C2A -138.4(4) . . . . ?
C36 C32 Pt0A C2A 105.5(5) . . . . ?
Pt1 C32 Pt0A C2A 63.6(6) . . . . ?
C31 C32 Pt0A C1A -9.4(7) . . . . ?
C27 C32 Pt0A C1A -122.3(6) . . . . ?
C36 C32 Pt0A C1A 121.6(6) . . . . ?
Pt1 C32 Pt0A C1A 79.7(8) . . . . ?
C31 C32 Pt0A P1 -177.6(3) . . . . ?
C27 C32 Pt0A P1 69.5(3) . . . . ?
C36 C32 Pt0A P1 -46.6(3) . . . . ?
Pt1 C32 Pt0A P1 -88.4(3) . . . . ?
C31 C32 Pt0A C27 112.9(4) . . . . ?
C36 C32 Pt0A C27 -116.1(4) . . . . ?
Pt1 C32 Pt0A C27 -157.9(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        28.38
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         1.352
_refine_diff_density_min         -1.318
_refine_diff_density_rms         0.111
####################################################################### 
# 
# 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 1416069'
_audit_update_record             
;
2015-07-30 deposited with the CCDC.
2015-09-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C49.50 H64.50 O1.50 P1.50 Pt1.50'
_chemical_formula_weight         1022.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0015 0.0009 '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'
O O 0.0056 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0667 0.0580 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -0.6812 5.7081 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Hexagonal
_symmetry_space_group_name_H-M   P6(3)/m

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'

_cell_length_a                   18.9177(4)
_cell_length_b                   18.9177(4)
_cell_length_c                   17.4660(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     5413.3(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    95(2)
_cell_measurement_reflns_used    9882
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      22.20

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2052
_exptl_absorpt_coefficient_mu    2.150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6331
_exptl_absorpt_correction_T_max  0.7447
_exptl_absorpt_process_details   
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA. 
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      95(2)
_diffrn_radiation_wavelength     0.56086
_diffrn_radiation_type           AgK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            43366
_diffrn_reflns_av_R_equivalents  0.0619
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.34
_diffrn_reflns_theta_max         22.25
_reflns_number_total             4797
_reflns_number_gt                4083
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1000P)²+4.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4797
_refine_ls_number_parameters     177
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0237
_refine_ls_wR_factor_ref         0.0830
_refine_ls_wR_factor_gt          0.0760
_refine_ls_goodness_of_fit_ref   0.644
_refine_ls_restrained_S_all      0.644
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.575509(8) 0.270731(8) 0.7500 0.01334(7) Uani 1 2 d S . .
P1 P 0.44479(6) 0.16748(5) 0.7500 0.01372(18) Uani 1 2 d S . .
C21 C 0.6248(2) 0.1942(2) 0.7500 0.0163(7) Uani 1 2 d S . .
O2 O 0.60164(15) 0.12507(18) 0.7500 0.0181(5) Uani 1 2 d S . .
C4 C 0.3663(2) 0.1983(2) 0.7500 0.0137(6) Uani 1 2 d S . .
C9 C 0.28900(16) 0.10893(16) 0.57880(15) 0.0175(5) Uani 1 1 d . . .
C8 C 0.34827(16) 0.18810(16) 0.60258(15) 0.0166(5) Uani 1 1 d . . .
C10 C 0.29684(17) 0.08178(17) 0.50750(17) 0.0234(6) Uani 1 1 d . . .
H10 H 0.2576 0.0284 0.4912 0.028 Uiso 1 1 calc R . .
C5 C 0.33970(15) 0.21682(15) 0.68035(15) 0.0163(5) Uani 1 1 d . . .
C3 C 0.42544(16) 0.09649(16) 0.67152(16) 0.0214(5) Uani 1 1 d . . .
H3A H 0.4607 0.0726 0.6771 0.032 Uiso 1 1 calc R . .
H3B H 0.4371 0.1257 0.6227 0.032 Uiso 1 1 calc R . .
H3C H 0.3681 0.0530 0.6726 0.032 Uiso 1 1 calc R . .
C17 C 0.47164(16) 0.32858(16) 0.57271(16) 0.0212(5) Uani 1 1 d . . .
H17 H 0.4656 0.3363 0.6285 0.025 Uiso 1 1 calc R . .
C13 C 0.41145(16) 0.24040(16) 0.55231(15) 0.0190(5) Uani 1 1 d . . .
C18 C 0.55976(18) 0.35109(18) 0.55819(17) 0.0260(6) Uani 1 1 d . . .
H18A H 0.5723 0.3145 0.5874 0.039 Uiso 1 1 calc R . .
H18B H 0.5963 0.4076 0.5743 0.039 Uiso 1 1 calc R . .
H18C H 0.5675 0.3457 0.5035 0.039 Uiso 1 1 calc R . .
C14 C 0.21598(17) 0.05458(17) 0.62945(17) 0.0243(6) Uani 1 1 d . . .
H14 H 0.2314 0.0728 0.6837 0.029 Uiso 1 1 calc R . .
C6 C 0.29613(18) 0.25803(17) 0.68188(17) 0.0233(6) Uani 1 1 d . . .
H6 H 0.2805 0.2715 0.6348 0.028 Uiso 1 1 calc R . .
C11 C 0.36108(18) 0.13130(19) 0.45942(17) 0.0270(6) Uani 1 1 d . . .
H11 H 0.3668 0.1112 0.4114 0.032 Uiso 1 1 calc R . .
C12 C 0.41676(18) 0.21006(18) 0.48166(16) 0.0244(6) Uani 1 1 d . . .
H12 H 0.4597 0.2442 0.4477 0.029 Uiso 1 1 calc R . .
C15 C 0.19040(19) -0.03613(18) 0.6251(2) 0.0331(7) Uani 1 1 d . . .
H15A H 0.1679 -0.0574 0.5743 0.050 Uiso 1 1 calc R . .
H15B H 0.1489 -0.0665 0.6642 0.050 Uiso 1 1 calc R . .
H15C H 0.2381 -0.0424 0.6342 0.050 Uiso 1 1 calc R . .
C7 C 0.2747(3) 0.2802(3) 0.7500 0.0282(9) Uani 1 2 d S . .
H7 H 0.2462 0.3097 0.7500 0.034 Uiso 1 2 calc SR . .
C19 C 0.4516(2) 0.38547(19) 0.5277(2) 0.0365(8) Uani 1 1 d . . .
H19A H 0.4570 0.3787 0.4728 0.055 Uiso 1 1 calc R . .
H19B H 0.4894 0.4421 0.5425 0.055 Uiso 1 1 calc R . .
H19C H 0.3955 0.3721 0.5390 0.055 Uiso 1 1 calc R . .
C16 C 0.1428(2) 0.0650(2) 0.6084(2) 0.0397(8) Uani 1 1 d . . .
H16A H 0.1579 0.1224 0.6145 0.060 Uiso 1 1 calc R . .
H16B H 0.0968 0.0310 0.6421 0.060 Uiso 1 1 calc R . .
H16C H 0.1272 0.0484 0.5551 0.060 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 C21 2.036(4) 3_665 ?
Pt1 C21 2.076(4) . ?
Pt1 P1 2.2584(9) . ?
Pt1 Pt1 2.6462(2) 3_665 ?
Pt1 Pt1 2.6462(2) 2_655 ?
P1 C3 1.823(3) 10_557 ?
P1 C3 1.823(3) . ?
P1 C4 1.847(4) . ?
C21 O2 1.154(5) . ?
C21 Pt1 2.036(4) 2_655 ?
C4 C5 1.426(3) . ?
C4 C5 1.426(3) 10_557 ?
C9 C10 1.383(4) . ?
C9 C8 1.412(4) . ?
C9 C14 1.526(4) . ?
C8 C13 1.413(4) . ?
C8 C5 1.501(4) . ?
C10 C11 1.386(4) . ?
C5 C6 1.389(4) . ?
C17 C13 1.519(4) . ?
C17 C18 1.521(4) . ?
C17 C19 1.526(4) . ?
C13 C12 1.386(4) . ?
C14 C15 1.534(4) . ?
C14 C16 1.537(4) . ?
C6 C7 1.388(3) . ?
C11 C12 1.382(4) . ?
C7 C6 1.388(3) 10_557 ?

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
C21 Pt1 C21 159.91(14) 3_665 . ?
C21 Pt1 P1 105.72(10) 3_665 . ?
C21 Pt1 P1 94.37(11) . . ?
C21 Pt1 Pt1 50.62(10) 3_665 3_665 ?
C21 Pt1 Pt1 109.29(10) . 3_665 ?
P1 Pt1 Pt1 156.34(2) . 3_665 ?
C21 Pt1 Pt1 110.62(10) 3_665 2_655 ?
C21 Pt1 Pt1 49.29(10) . 2_655 ?
P1 Pt1 Pt1 143.66(2) . 2_655 ?
Pt1 Pt1 Pt1 60.0 3_665 2_655 ?
C3 P1 C3 97.48(19) 10_557 . ?
C3 P1 C4 109.60(11) 10_557 . ?
C3 P1 C4 109.60(11) . . ?
C3 P1 Pt1 111.52(9) 10_557 . ?
C3 P1 Pt1 111.52(9) . . ?
C4 P1 Pt1 115.63(11) . . ?
O2 C21 Pt1 142.0(3) . 2_655 ?
O2 C21 Pt1 137.9(3) . . ?
Pt1 C21 Pt1 80.09(14) 2_655 . ?
C5 C4 C5 117.1(3) . 10_557 ?
C5 C4 P1 121.07(16) . . ?
C5 C4 P1 121.07(16) 10_557 . ?
C10 C9 C8 118.9(3) . . ?
C10 C9 C14 120.1(2) . . ?
C8 C9 C14 121.0(2) . . ?
C9 C8 C13 120.3(2) . . ?
C9 C8 C5 118.5(2) . . ?
C13 C8 C5 121.0(2) . . ?
C9 C10 C11 121.0(3) . . ?
C6 C5 C4 120.2(3) . . ?
C6 C5 C8 115.0(2) . . ?
C4 C5 C8 124.6(2) . . ?
C13 C17 C18 112.5(2) . . ?
C13 C17 C19 109.9(2) . . ?
C18 C17 C19 109.9(2) . . ?
C12 C13 C8 118.3(2) . . ?
C12 C13 C17 119.6(2) . . ?
C8 C13 C17 122.0(2) . . ?
C9 C14 C15 113.5(2) . . ?
C9 C14 C16 110.2(2) . . ?
C15 C14 C16 109.3(2) . . ?
C7 C6 C5 122.1(3) . . ?
C12 C11 C10 119.7(3) . . ?
C11 C12 C13 121.5(3) . . ?
C6 C7 C6 118.1(4) . 10_557 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        22.25
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.931
_refine_diff_density_min         -1.222
_refine_diff_density_rms         0.105
# SQUEEZE RESULTS 
# Note: Data are Listed for all Voids in the P1 Unit Cell 
# i.e. Centre of Gravity, Solvent Accessible Volume, 
# Recovered number of Electrons in the Void and 
# Details about the Squeezed Material 

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.667 0.333 0.250 630 179 ' '
2 0.000 0.000 0.250 44 7 ' '
3 0.333 0.667 0.750 630 180 ' '
4 0.000 0.000 0.750 44 7 ' '
_platon_squeeze_details          ?

