Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2001


data_global

_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Detti, Serena'
'Duprez, Virginie'
'Laurenczy, Gabor'
'Ros, Renzo'
'Roulet, Rasymond'
'Schenk, Kurt'
'Tassan, Augusto'

_publ_contact_author_name     	'Prof Rasymond Roulet'  
_publ_contact_author_address 
;
Prof Rasymond Roulet
Institut de Chimie Minerale et Analytique de l'Universite
BHC
Lausanne
CH-1015
SWITZERLAND
;

_publ_contact_author_email       'RAYMOND.ROULET@ICMA.UNIL.CH'

_publ_section_title
data_VD_2

_database_code_CSD	163707


_audit_creation_method            SHELXL
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C26 H26 O3 P Pt'
_chemical_formula_weight          612.53
_chemical_melting_point           ?
_chemical_compound_source         ?

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'
'O'  'O'   0.0106   0.0060
'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    C2/c

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

_cell_length_a                    18.0590(7)
_cell_length_b                    16.2947(7)
_cell_length_c                    18.5105(8)
_cell_angle_alpha                 90.00
_cell_angle_beta                  116.2990(10)
_cell_angle_gamma                 90.00
_cell_volume                      4883.2(4)
_cell_formula_units_Z             8
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.666
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              2392
_exptl_absorpt_coefficient_mu     5.836
_exptl_absorpt_correction_type    none
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       293(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        'Siemens P4'
_diffrn_measurement_method        '\w scans'
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             21362
_diffrn_reflns_av_R_equivalents   0.0311
_diffrn_reflns_av_sigmaI/netI     0.0289
_diffrn_reflns_limit_h_min        -26
_diffrn_reflns_limit_h_max        26
_diffrn_reflns_limit_k_min        -21
_diffrn_reflns_limit_k_max        23
_diffrn_reflns_limit_l_min        -24
_diffrn_reflns_limit_l_max        28
_diffrn_reflns_theta_min          1.77
_diffrn_reflns_theta_max          32.88
_reflns_number_total              8336
_reflns_number_observed           7761
_reflns_observed_criterion        >2sigma(I)

_computing_data_collection        'Siemens XSCANS'
_computing_cell_refinement        'Siemens XSCANS'
_computing_data_reduction         'Siemens SHELXTL'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     'Siemens SHELXTL'
_computing_publication_material   'Siemens SHELXTL'

_refine_special_details
;
Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^
or flagged by the user for potential systematic errors.  Weighted R-factors
wR and all goodnesses of fit S are based on F^2^, conventional R-factors R
are based on F, with F set to zero for negative F^2^. The observed criterion
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ 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 w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      SHELXL
_refine_ls_extinction_coef        0.00014(3)
_refine_ls_extinction_expression
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'
_refine_ls_number_reflns          8336
_refine_ls_number_parameters      281
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0544
_refine_ls_R_factor_obs           0.0488
_refine_ls_wR_factor_all          0.0719
_refine_ls_wR_factor_obs          0.0713
_refine_ls_goodness_of_fit_all    2.378
_refine_ls_goodness_of_fit_obs    2.445
_refine_ls_restrained_S_all       2.378
_refine_ls_restrained_S_obs       2.445
_refine_ls_shift/esd_max          -0.002
_refine_ls_shift/esd_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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt Pt 0.421675(7) 0.471694(7) 0.195033(7) 0.03127(5) Uani 1 d . .
C1 C 0.4110(2) 0.5873(3) 0.1861(2) 0.0572(11) Uani 1 d . .
O1 O 0.4048(2) 0.6560(2) 0.1876(2) 0.0882(12) Uani 1 d . .
C2 C 0.4588(2) 0.3546(2) 0.2337(2) 0.0340(7) Uani 1 d . .
C3 C 0.4090(2) 0.2793(2) 0.2234(2) 0.0408(8) Uani 1 d . .
O2 O 0.3495(2) 0.2574(2) 0.1628(2) 0.0612(8) Uani 1 d . .
O3 O 0.4387(2) 0.2377(2) 0.2932(2) 0.0577(8) Uani 1 d . .
C4 C 0.3977(3) 0.1638(3) 0.3031(3) 0.0678(13) Uani 1 d . .
C5 C 0.3893(3) 0.0994(3) 0.2430(4) 0.102(2) Uani 1 d . .
H5A H 0.3508(3) 0.1174(3) 0.1902(4) 0.153 Uiso 1 calc R .
H5B H 0.3697(3) 0.0496(3) 0.2561(4) 0.153 Uiso 1 calc R .
H5C H 0.4421(3) 0.0898(3) 0.2438(4) 0.153 Uiso 1 calc R .
C6 C 0.4586(4) 0.1334(4) 0.3852(3) 0.113(2) Uani 1 d . .
H6A H 0.4650(4) 0.1740(4) 0.4251(3) 0.170 Uiso 1 calc R .
H6B H 0.5110(4) 0.1235(4) 0.3852(3) 0.170 Uiso 1 calc R .
H6C H 0.4386(4) 0.0833(4) 0.3975(3) 0.170 Uiso 1 calc R .
C7 C 0.3151(4) 0.1876(4) 0.2999(5) 0.120(3) Uani 1 d . .
H7A H 0.3234(4) 0.2291(4) 0.3396(5) 0.179 Uiso 1 calc R .
H7B H 0.2900(4) 0.1403(4) 0.3108(5) 0.179 Uiso 1 calc R .
H7C H 0.2797(4) 0.2086(4) 0.2473(5) 0.179 Uiso 1 calc R .
P P 0.29206(5) 0.43832(5) 0.09321(5) 0.0338(2) Uani 1 d . .
C10 C 0.2229(2) 0.3938(2) 0.1301(2) 0.0368(7) Uani 1 d . .
C11 C 0.1650(2) 0.3334(2) 0.0900(2) 0.0532(10) Uani 1 d . .
H11A H 0.1590(2) 0.3144(2) 0.0403(2) 0.064 Uiso 1 calc R .
C12 C 0.1161(2) 0.3012(3) 0.1232(3) 0.0618(11) Uani 1 d . .
H12A H 0.0777(2) 0.2604(3) 0.0960(3) 0.074 Uiso 1 calc R .
C13 C 0.1241(3) 0.3292(3) 0.1955(3) 0.0631(12) Uani 1 d . .
H13A H 0.0905(3) 0.3078(3) 0.2171(3) 0.076 Uiso 1 calc R .
C14 C 0.1816(3) 0.3890(3) 0.2374(3) 0.0622(11) Uani 1 d . .
H14A H 0.1873(3) 0.4077(3) 0.2871(3) 0.075 Uiso 1 calc R .
C15 C 0.2301(2) 0.4202(2) 0.2038(2) 0.0510(9) Uani 1 d . .
H15A H 0.2690(2) 0.4603(2) 0.2316(2) 0.061 Uiso 1 calc R .
C20 C 0.2320(2) 0.5237(2) 0.0301(2) 0.0444(9) Uani 1 d . .
C21 C 0.1461(3) 0.5269(3) -0.0009(3) 0.0677(13) Uani 1 d . .
H21A H 0.1180(3) 0.4862(3) 0.0121(3) 0.081 Uiso 1 calc R .
C22 C 0.1031(3) 0.5909(4) -0.0511(3) 0.093(2) Uani 1 d . .
H22A H 0.0462(3) 0.5941(4) -0.0691(3) 0.112 Uiso 1 calc R .
C23 C 0.1418(4) 0.6496(3) -0.0751(3) 0.086(2) Uani 1 d . .
H23A H 0.1113(4) 0.6906(3) -0.1110(3) 0.103 Uiso 1 calc R .
C24 C 0.2263(3) 0.6473(3) -0.0455(3) 0.0762(15) Uani 1 d . .
H24A H 0.2535(3) 0.6879(3) -0.0597(3) 0.091 Uiso 1 calc R .
C25 C 0.2711(3) 0.5840(3) 0.0059(2) 0.0589(11) Uani 1 d . .
H25A H 0.3281(3) 0.5819(3) 0.0244(2) 0.071 Uiso 1 calc R .
C29 C 0.2907(2) 0.3666(2) 0.0148(2) 0.0399(7) Uani 1 d . .
H29A H 0.2979(2) 0.3110(2) 0.0355(2) 0.048 Uiso 1 calc R .
H29B H 0.2371(2) 0.3697(2) -0.0318(2) 0.048 Uiso 1 calc R .
C30 C 0.3570(2) 0.3850(2) -0.0114(2) 0.0405(8) Uani 1 d . .
C31 C 0.3401(3) 0.4307(3) -0.0808(2) 0.0566(10) Uani 1 d . .
H31A H 0.2870(3) 0.4507(3) -0.1114(2) 0.068 Uiso 1 calc R .
C32 C 0.4010(3) 0.4464(3) -0.1045(3) 0.0734(14) Uani 1 d . .
H32A H 0.3889(3) 0.4769(3) -0.1509(3) 0.088 Uiso 1 calc R .
C33 C 0.4792(3) 0.4172(4) -0.0598(3) 0.0779(15) Uani 1 d . .
H33A H 0.5201(3) 0.4272(4) -0.0763(3) 0.093 Uiso 1 calc R .
C34 C 0.4975(3) 0.3735(3) 0.0086(3) 0.0678(12) Uani 1 d . .
H34A H 0.5510(3) 0.3543(3) 0.0390(3) 0.081 Uiso 1 calc R .
C35 C 0.4373(2) 0.3575(2) 0.0331(2) 0.0496(9) Uani 1 d . .
H35A H 0.4506(2) 0.3278(2) 0.0801(2) 0.060 Uiso 1 calc R .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt 0.03353(7) 0.02665(7) 0.02863(7) 0.00057(5) 0.00925(5) 0.00197(5)
C1 0.063(3) 0.043(2) 0.056(3) 0.003(2) 0.018(2) 0.009(2)
O1 0.117(3) 0.032(2) 0.087(3) -0.0017(14) 0.018(2) 0.012(2)
C2 0.037(2) 0.026(2) 0.033(2) 0.0020(12) 0.0108(14) 0.0017(12)
C3 0.037(2) 0.035(2) 0.041(2) 0.0056(14) 0.0084(15) 0.0032(14)
O2 0.053(2) 0.048(2) 0.055(2) 0.0096(13) -0.0017(13) -0.0140(13)
O3 0.055(2) 0.050(2) 0.0478(15) 0.0158(12) 0.0047(13) -0.0180(13)
C4 0.062(3) 0.055(3) 0.069(3) 0.023(2) 0.013(2) -0.018(2)
C5 0.099(4) 0.042(3) 0.139(5) 0.005(3) 0.029(4) -0.017(3)
C6 0.107(4) 0.108(5) 0.090(4) 0.056(4) 0.012(4) -0.027(4)
C7 0.108(5) 0.102(5) 0.182(7) 0.049(5) 0.094(5) -0.001(4)
P 0.0333(4) 0.0330(4) 0.0296(4) 0.0007(3) 0.0090(3) 0.0041(3)
C10 0.034(2) 0.036(2) 0.036(2) 0.0041(13) 0.0125(14) 0.0078(13)
C11 0.048(2) 0.062(3) 0.050(2) -0.012(2) 0.022(2) -0.006(2)
C12 0.051(2) 0.064(3) 0.072(3) -0.008(2) 0.029(2) -0.012(2)
C13 0.060(3) 0.062(3) 0.085(3) 0.020(2) 0.048(3) 0.008(2)
C14 0.076(3) 0.068(3) 0.055(2) 0.007(2) 0.040(2) 0.011(2)
C15 0.056(2) 0.047(2) 0.050(2) -0.005(2) 0.023(2) -0.002(2)
C20 0.046(2) 0.043(2) 0.034(2) 0.0015(14) 0.009(2) 0.013(2)
C21 0.052(2) 0.084(4) 0.061(3) 0.026(2) 0.020(2) 0.027(2)
C22 0.075(3) 0.110(5) 0.085(4) 0.041(3) 0.026(3) 0.054(3)
C23 0.109(4) 0.073(4) 0.060(3) 0.028(3) 0.025(3) 0.039(3)
C24 0.113(4) 0.056(3) 0.047(2) 0.014(2) 0.023(3) -0.001(3)
C25 0.072(3) 0.051(2) 0.042(2) 0.006(2) 0.015(2) 0.000(2)
C29 0.041(2) 0.041(2) 0.034(2) -0.0061(14) 0.0139(15) -0.0013(15)
C30 0.046(2) 0.042(2) 0.032(2) -0.0069(13) 0.015(2) -0.0029(15)
C31 0.054(2) 0.071(3) 0.039(2) 0.004(2) 0.015(2) -0.005(2)
C32 0.082(3) 0.092(4) 0.047(2) 0.008(2) 0.029(3) -0.012(3)
C33 0.067(3) 0.109(4) 0.070(3) -0.010(3) 0.041(3) -0.022(3)
C34 0.051(2) 0.093(3) 0.059(3) -0.008(3) 0.024(2) -0.001(2)
C35 0.052(2) 0.057(2) 0.039(2) -0.002(2) 0.020(2) 0.004(2)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt C1 1.893(4) . ?
Pt C2 2.044(3) . ?
Pt P 2.3277(8) . ?
Pt Pt 2.6538(2) 2_655 ?
C1 O1 1.126(5) . ?
C2 C2 1.334(6) 2_655 ?
C2 C3 1.485(4) . ?
C3 O2 1.213(4) . ?
C3 O3 1.341(4) . ?
O3 C4 1.469(5) . ?
C4 C5 1.488(7) . ?
C4 C6 1.511(6) . ?
C4 C7 1.516(7) . ?
P C10 1.819(3) . ?
P C20 1.831(3) . ?
P C29 1.855(3) . ?
C10 C15 1.380(5) . ?
C10 C11 1.387(5) . ?
C11 C12 1.383(6) . ?
C12 C13 1.360(6) . ?
C13 C14 1.384(6) . ?
C14 C15 1.378(6) . ?
C20 C25 1.394(6) . ?
C20 C21 1.396(6) . ?
C21 C22 1.384(6) . ?
C22 C23 1.370(7) . ?
C23 C24 1.375(7) . ?
C24 C25 1.394(6) . ?
C29 C30 1.508(5) . ?
C30 C35 1.386(5) . ?
C30 C31 1.396(5) . ?
C31 C32 1.377(6) . ?
C32 C33 1.369(7) . ?
C33 C34 1.360(7) . ?
C34 C35 1.377(6) . ?

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 Pt C2 164.64(14) . . ?
C1 Pt P 97.74(12) . . ?
C2 Pt P 96.99(8) . . ?
C1 Pt Pt 95.73(12) . 2_655 ?
C2 Pt Pt 70.03(8) . 2_655 ?
P Pt Pt 165.65(2) . 2_655 ?
O1 C1 Pt 173.7(4) . . ?
C2 C2 C3 123.3(2) 2_655 . ?
C2 C2 Pt 106.61(11) 2_655 . ?
C3 C2 Pt 129.9(2) . . ?
O2 C3 O3 123.7(3) . . ?
O2 C3 C2 126.8(3) . . ?
O3 C3 C2 109.4(3) . . ?
C3 O3 C4 121.7(3) . . ?
O3 C4 C5 111.9(4) . . ?
O3 C4 C6 102.2(3) . . ?
C5 C4 C6 108.0(5) . . ?
O3 C4 C7 109.1(4) . . ?
C5 C4 C7 112.3(5) . . ?
C6 C4 C7 112.9(5) . . ?
C10 P C20 103.4(2) . . ?
C10 P C29 105.6(2) . . ?
C20 P C29 100.4(2) . . ?
C10 P Pt 113.63(11) . . ?
C20 P Pt 115.96(12) . . ?
C29 P Pt 116.17(11) . . ?
C15 C10 C11 118.0(3) . . ?
C15 C10 P 117.8(3) . . ?
C11 C10 P 124.2(3) . . ?
C12 C11 C10 120.7(4) . . ?
C13 C12 C11 119.9(4) . . ?
C12 C13 C14 120.9(4) . . ?
C15 C14 C13 118.5(4) . . ?
C14 C15 C10 122.1(4) . . ?
C25 C20 C21 118.0(3) . . ?
C25 C20 P 119.9(3) . . ?
C21 C20 P 121.8(3) . . ?
C22 C21 C20 119.7(5) . . ?
C23 C22 C21 121.9(5) . . ?
C22 C23 C24 119.2(4) . . ?
C23 C24 C25 119.9(5) . . ?
C24 C25 C20 121.2(4) . . ?
C30 C29 P 112.9(2) . . ?
C35 C30 C31 117.6(4) . . ?
C35 C30 C29 121.0(3) . . ?
C31 C30 C29 121.4(3) . . ?
C32 C31 C30 120.9(4) . . ?
C33 C32 C31 119.9(4) . . ?
C34 C33 C32 120.4(5) . . ?
C33 C34 C35 120.3(4) . . ?
C34 C35 C30 121.0(4) . . ?

_refine_diff_density_max    1.269
_refine_diff_density_min   -1.912
_refine_diff_density_rms    0.116

data_VD_3

_database_code_CSD	163708


_audit_creation_method            SHELXL
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C25 H42 O3 P Pt'
_chemical_formula_weight          616.65
_chemical_melting_point           ?
_chemical_compound_source         ?

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'
'O'  'O'   0.0106   0.0060
'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            Tetragonal
_symmetry_space_group_name_H-M    I4(1)/a

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                    17.737(3)
_cell_length_b                    17.737(3)
_cell_length_c                    33.472(7)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      10530.3(30)
_cell_formula_units_Z             16
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        ?
_exptl_crystal_colour             ?
_exptl_crystal_size_max           ?
_exptl_crystal_size_mid           ?
_exptl_crystal_size_min           ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.556
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              4944
_exptl_absorpt_coefficient_mu     5.412
_exptl_absorpt_correction_type    none
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       293(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        'Siemens P4'
_diffrn_measurement_method        '\w scans'
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             33314
_diffrn_reflns_av_R_equivalents   0.0549
_diffrn_reflns_av_sigmaI/netI     0.0237
_diffrn_reflns_limit_h_min        -20
_diffrn_reflns_limit_h_max        20
_diffrn_reflns_limit_k_min        -20
_diffrn_reflns_limit_k_max        20
_diffrn_reflns_limit_l_min        -38
_diffrn_reflns_limit_l_max        38
_diffrn_reflns_theta_min          2.03
_diffrn_reflns_theta_max          24.06
_reflns_number_total              4119
_reflns_number_observed           3568
_reflns_observed_criterion        >2sigma(I)

_computing_data_collection        'Siemens XSCANS'
_computing_cell_refinement        'Siemens XSCANS'
_computing_data_reduction         'Siemens SHELXTL'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics     'Siemens SHELXTL'
_computing_publication_material   'Siemens SHELXTL'

_refine_special_details
;
Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^
or flagged by the user for potential systematic errors.  Weighted R-factors
wR and all goodnesses of fit S are based on F^2^, conventional R-factors R
are based on F, with F set to zero for negative F^2^. The observed criterion
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ 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 w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          4119
_refine_ls_number_parameters      271
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0270
_refine_ls_R_factor_obs           0.0192
_refine_ls_wR_factor_all          0.0365
_refine_ls_wR_factor_obs          0.0355
_refine_ls_goodness_of_fit_all    1.660
_refine_ls_goodness_of_fit_obs    1.745
_refine_ls_restrained_S_all       1.660
_refine_ls_restrained_S_obs       1.745
_refine_ls_shift/esd_max          0.002
_refine_ls_shift/esd_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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.546695(6) 0.321518(7) 0.101153(4) 0.03282(5) Uani 1 d . .
P P 0.66779(4) 0.32191(4) 0.12791(2) 0.0336(2) Uani 1 d . .
C1 C 0.5105(2) 0.4103(2) 0.12355(12) 0.0522(9) Uani 1 d . .
O1 O 0.4872(2) 0.4661(2) 0.13616(12) 0.0941(11) Uani 1 d . .
C2 C 0.4663(2) 0.2704(2) 0.06447(9) 0.0347(7) Uani 1 d . .
O3 O 0.35397(13) 0.3252(2) 0.03846(8) 0.0609(7) Uani 1 d . .
O4 O 0.46117(13) 0.3279(2) 0.00227(7) 0.0567(7) Uani 1 d . .
C5 C 0.4197(2) 0.3099(2) 0.03426(10) 0.0421(8) Uani 1 d . .
C6 C 0.4262(3) 0.3640(3) -0.03282(12) 0.0684(12) Uani 1 d . .
C7 C 0.3642(3) 0.3132(4) -0.0489(2) 0.116(2) Uani 1 d . .
H7A H 0.3849(3) 0.2646(4) -0.0553(2) 0.173 Uiso 1 calc R .
H7B H 0.3429(3) 0.3353(4) -0.0725(2) 0.173 Uiso 1 calc R .
H7C H 0.3255(3) 0.3075(4) -0.0290(2) 0.173 Uiso 1 calc R .
C8 C 0.3986(3) 0.4414(3) -0.0221(2) 0.112(2) Uani 1 d . .
H8A H 0.3571(3) 0.4374(3) -0.0038(2) 0.168 Uiso 1 calc R .
H8B H 0.3823(3) 0.4671(3) -0.0459(2) 0.168 Uiso 1 calc R .
H8C H 0.4387(3) 0.4694(3) -0.0098(2) 0.168 Uiso 1 calc R .
C9 C 0.4913(3) 0.3697(3) -0.06149(15) 0.106(2) Uani 1 d . .
H9A H 0.5086(3) 0.3200(3) -0.06820(15) 0.159 Uiso 1 calc R .
H9B H 0.5316(3) 0.3975(3) -0.04924(15) 0.159 Uiso 1 calc R .
H9C H 0.4752(3) 0.3952(3) -0.08531(15) 0.159 Uiso 1 calc R .
C10 C 0.7413(2) 0.2972(2) 0.09149(10) 0.0423(8) Uani 1 d . .
H10A H 0.7298(2) 0.2453(2) 0.08357(10) 0.051 Uiso 1 calc R .
C11 C 0.7371(2) 0.3423(2) 0.05305(12) 0.0626(11) Uani 1 d . .
H11A H 0.7507(2) 0.3943(2) 0.05831(12) 0.075 Uiso 1 calc R .
H11B H 0.6859(2) 0.3415(2) 0.04293(12) 0.075 Uiso 1 calc R .
C12 C 0.7904(3) 0.3093(3) 0.02173(13) 0.0806(14) Uani 1 d . .
H12A H 0.7734(3) 0.2592(3) 0.01441(13) 0.097 Uiso 1 calc R .
H12B H 0.7893(3) 0.3405(3) -0.00206(13) 0.097 Uiso 1 calc R .
C13 C 0.8703(3) 0.3048(3) 0.0372(2) 0.088(2) Uani 1 d . .
H13A H 0.9021(3) 0.2814(3) 0.0171(2) 0.106 Uiso 1 calc R .
H13B H 0.8891(3) 0.3553(3) 0.0420(2) 0.106 Uiso 1 calc R .
C14 C 0.8745(2) 0.2601(3) 0.0752(2) 0.0874(15) Uani 1 d . .
H14A H 0.9261(2) 0.2597(3) 0.0849(2) 0.105 Uiso 1 calc R .
H14B H 0.8596(2) 0.2084(3) 0.0700(2) 0.105 Uiso 1 calc R .
C15 C 0.8228(2) 0.2942(3) 0.10709(13) 0.0733(13) Uani 1 d . .
H15A H 0.8398(2) 0.3446(3) 0.11369(13) 0.088 Uiso 1 calc R .
H15B H 0.8249(2) 0.2638(3) 0.13115(13) 0.088 Uiso 1 calc R .
C20 C 0.6893(2) 0.4132(2) 0.15268(10) 0.0412(8) Uani 1 d . .
H20A H 0.6469(2) 0.4213(2) 0.17097(10) 0.049 Uiso 1 calc R .
C21 C 0.6862(2) 0.4799(2) 0.12431(12) 0.0510(9) Uani 1 d . .
H21A H 0.6415(2) 0.4762(2) 0.10767(12) 0.061 Uiso 1 calc R .
H21B H 0.7300(2) 0.4793(2) 0.10702(12) 0.061 Uiso 1 calc R .
C22 C 0.6842(2) 0.5535(2) 0.14768(13) 0.0652(12) Uani 1 d . .
H22A H 0.6833(2) 0.5956(2) 0.12920(13) 0.078 Uiso 1 calc R .
H22B H 0.6385(2) 0.5555(2) 0.16360(13) 0.078 Uiso 1 calc R .
C23 C 0.7517(3) 0.5603(2) 0.17465(14) 0.0660(12) Uani 1 d . .
H23A H 0.7970(3) 0.5646(2) 0.15850(14) 0.079 Uiso 1 calc R .
H23B H 0.7473(3) 0.6058(2) 0.19057(14) 0.079 Uiso 1 calc R .
C24 C 0.7588(3) 0.4937(2) 0.20173(15) 0.0730(13) Uani 1 d . .
H24A H 0.7171(3) 0.4939(2) 0.22049(15) 0.088 Uiso 1 calc R .
H24B H 0.8051(3) 0.4981(2) 0.21695(15) 0.088 Uiso 1 calc R .
C25 C 0.7591(2) 0.4193(2) 0.17921(14) 0.0664(12) Uani 1 d . .
H25A H 0.7598(2) 0.3778(2) 0.19810(14) 0.080 Uiso 1 calc R .
H25B H 0.8041(2) 0.4160(2) 0.16287(14) 0.080 Uiso 1 calc R .
C30 C 0.6803(2) 0.2519(2) 0.16852(10) 0.0374(7) Uani 1 d . .
H30A H 0.7308(2) 0.2589(2) 0.17982(10) 0.045 Uiso 1 calc R .
C31 C 0.6746(2) 0.1710(2) 0.15311(11) 0.0459(8) Uani 1 d . .
H31A H 0.6271(2) 0.1645(2) 0.13920(11) 0.055 Uiso 1 calc R .
H31B H 0.7150(2) 0.1617(2) 0.13418(11) 0.055 Uiso 1 calc R .
C32 C 0.6797(2) 0.1141(2) 0.18691(13) 0.0617(11) Uani 1 d . .
H32A H 0.6720(2) 0.0639(2) 0.17625(13) 0.074 Uiso 1 calc R .
H32B H 0.7299(2) 0.1160(2) 0.19840(13) 0.074 Uiso 1 calc R .
C33 C 0.6226(2) 0.1288(2) 0.21913(12) 0.0598(10) Uani 1 d . .
H33A H 0.6296(2) 0.0929(2) 0.24068(12) 0.072 Uiso 1 calc R .
H33B H 0.5723(2) 0.1221(2) 0.20845(12) 0.072 Uiso 1 calc R .
C34 C 0.6311(3) 0.2083(2) 0.23516(12) 0.0611(11) Uani 1 d . .
H34A H 0.6802(3) 0.2138(2) 0.24760(12) 0.073 Uiso 1 calc R .
H34B H 0.5929(3) 0.2175(2) 0.25533(12) 0.073 Uiso 1 calc R .
C35 C 0.6230(2) 0.2655(2) 0.20172(10) 0.0527(10) Uani 1 d . .
H35A H 0.6299(2) 0.3159(2) 0.21245(10) 0.063 Uiso 1 calc R .
H35B H 0.5725(2) 0.2625(2) 0.19073(10) 0.063 Uiso 1 calc R .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.02979(7) 0.03479(8) 0.03389(7) -0.00002(6) 0.00109(5) -0.00093(5)
P 0.0320(4) 0.0363(4) 0.0325(4) 0.0019(4) 0.0000(4) -0.0049(3)
C1 0.043(2) 0.048(2) 0.066(2) -0.007(2) 0.003(2) -0.004(2)
O1 0.082(2) 0.057(2) 0.143(3) -0.031(2) 0.016(2) 0.010(2)
C2 0.029(2) 0.044(2) 0.030(2) 0.0012(14) 0.0010(14) -0.0035(13)
O3 0.0376(15) 0.081(2) 0.064(2) 0.0277(15) 0.0007(13) 0.0142(13)
O4 0.0458(14) 0.082(2) 0.0421(14) 0.0236(14) 0.0041(12) 0.0048(13)
C5 0.039(2) 0.046(2) 0.042(2) 0.005(2) -0.003(2) -0.003(2)
C6 0.074(3) 0.086(3) 0.046(2) 0.029(2) 0.001(2) 0.014(2)
C7 0.120(5) 0.160(6) 0.067(3) 0.028(4) -0.040(3) -0.014(4)
C8 0.153(5) 0.095(4) 0.088(4) 0.041(3) 0.030(4) 0.044(4)
C9 0.123(4) 0.133(5) 0.063(3) 0.045(3) 0.034(3) 0.025(4)
C10 0.037(2) 0.047(2) 0.043(2) 0.001(2) 0.006(2) -0.0014(15)
C11 0.066(3) 0.072(3) 0.050(2) 0.010(2) 0.023(2) 0.006(2)
C12 0.104(4) 0.078(3) 0.060(3) 0.008(2) 0.038(3) 0.005(3)
C13 0.076(3) 0.077(3) 0.112(4) -0.012(3) 0.053(3) -0.016(3)
C14 0.044(2) 0.121(4) 0.097(4) -0.003(3) 0.021(3) 0.006(3)
C15 0.034(2) 0.121(4) 0.065(3) -0.004(3) 0.008(2) -0.002(2)
C20 0.044(2) 0.037(2) 0.043(2) 0.003(2) -0.005(2) -0.0051(15)
C21 0.059(2) 0.042(2) 0.052(2) 0.010(2) -0.010(2) -0.017(2)
C22 0.085(3) 0.038(2) 0.073(3) 0.008(2) -0.018(3) -0.001(2)
C23 0.082(3) 0.041(2) 0.075(3) -0.001(2) -0.018(2) -0.014(2)
C24 0.090(3) 0.055(3) 0.074(3) -0.003(2) -0.038(3) -0.014(2)
C25 0.069(3) 0.048(2) 0.083(3) 0.000(2) -0.038(2) -0.004(2)
C30 0.035(2) 0.037(2) 0.040(2) 0.002(2) -0.0010(15) -0.0038(14)
C31 0.054(2) 0.037(2) 0.047(2) -0.001(2) 0.009(2) 0.003(2)
C32 0.078(3) 0.039(2) 0.068(3) 0.008(2) 0.005(2) 0.011(2)
C33 0.077(3) 0.044(2) 0.059(2) 0.017(2) 0.012(2) 0.000(2)
C34 0.084(3) 0.051(2) 0.048(2) 0.008(2) 0.011(2) -0.005(2)
C35 0.078(3) 0.041(2) 0.040(2) 0.003(2) 0.015(2) 0.002(2)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 1.859(4) . ?
Pt1 C2 2.054(3) 6_554 ?
Pt1 C2 2.089(3) . ?
Pt1 P 2.3271(8) . ?
Pt1 Pt1 3.0299(5) 6_554 ?
P C10 1.838(3) . ?
P C30 1.854(3) . ?
P C20 1.859(3) . ?
C1 O1 1.152(4) . ?
C2 C2 1.400(6) 6_554 ?
C2 C5 1.482(4) . ?
C2 Pt1 2.054(3) 6_554 ?
O3 C5 1.205(4) . ?
O4 C5 1.338(4) . ?
O4 C6 1.475(4) . ?
C6 C8 1.502(6) . ?
C6 C9 1.505(6) . ?
C6 C7 1.521(7) . ?
C10 C11 1.516(5) . ?
C10 C15 1.538(5) . ?
C11 C12 1.529(5) . ?
C12 C13 1.509(7) . ?
C13 C14 1.501(7) . ?
C14 C15 1.532(6) . ?
C20 C21 1.518(5) . ?
C20 C25 1.528(5) . ?
C21 C22 1.522(5) . ?
C22 C23 1.505(5) . ?
C23 C24 1.495(5) . ?
C24 C25 1.520(5) . ?
C30 C35 1.525(5) . ?
C30 C31 1.529(4) . ?
C31 C32 1.518(5) . ?
C32 C33 1.502(5) . ?
C33 C34 1.517(5) . ?
C34 C35 1.518(5) . ?

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 C2 151.05(14) . 6_554 ?
C1 Pt1 C2 111.62(14) . . ?
C2 Pt1 C2 39.5(2) 6_554 . ?
C1 Pt1 P 99.29(11) . . ?
C2 Pt1 P 109.60(8) 6_554 . ?
C2 Pt1 P 149.07(9) . . ?
C1 Pt1 Pt1 121.37(11) . 6_554 ?
C2 Pt1 Pt1 43.46(8) 6_554 6_554 ?
C2 Pt1 Pt1 42.56(8) . 6_554 ?
P Pt1 Pt1 120.47(2) . 6_554 ?
C10 P C30 104.02(15) . . ?
C10 P C20 111.0(2) . . ?
C30 P C20 103.39(14) . . ?
C10 P Pt1 113.52(11) . . ?
C30 P Pt1 112.98(10) . . ?
C20 P Pt1 111.31(11) . . ?
O1 C1 Pt1 177.7(4) . . ?
C2 C2 C5 136.2(2) 6_554 . ?
C2 C2 Pt1 71.6(2) 6_554 6_554 ?
C5 C2 Pt1 136.1(2) . 6_554 ?
C2 C2 Pt1 68.9(2) 6_554 . ?
C5 C2 Pt1 125.2(2) . . ?
Pt1 C2 Pt1 93.98(12) 6_554 . ?
C5 O4 C6 120.6(3) . . ?
O3 C5 O4 124.9(3) . . ?
O3 C5 C2 124.5(3) . . ?
O4 C5 C2 110.6(3) . . ?
O4 C6 C8 110.1(4) . . ?
O4 C6 C9 102.3(3) . . ?
C8 C6 C9 109.9(4) . . ?
O4 C6 C7 109.2(4) . . ?
C8 C6 C7 113.0(4) . . ?
C9 C6 C7 111.7(5) . . ?
C11 C10 C15 110.7(3) . . ?
C11 C10 P 113.7(2) . . ?
C15 C10 P 116.8(3) . . ?
C10 C11 C12 110.5(3) . . ?
C13 C12 C11 111.5(4) . . ?
C14 C13 C12 111.4(4) . . ?
C13 C14 C15 110.6(4) . . ?
C14 C15 C10 109.9(3) . . ?
C21 C20 C25 109.8(3) . . ?
C21 C20 P 113.1(2) . . ?
C25 C20 P 119.1(2) . . ?
C20 C21 C22 110.3(3) . . ?
C23 C22 C21 111.0(3) . . ?
C24 C23 C22 111.5(3) . . ?
C23 C24 C25 112.7(4) . . ?
C24 C25 C20 110.3(3) . . ?
C35 C30 C31 110.5(3) . . ?
C35 C30 P 110.4(2) . . ?
C31 C30 P 111.9(2) . . ?
C32 C31 C30 111.6(3) . . ?
C33 C32 C31 112.3(3) . . ?
C32 C33 C34 110.4(3) . . ?
C33 C34 C35 110.6(3) . . ?
C34 C35 C30 111.6(3) . . ?

_refine_diff_density_max    0.884
_refine_diff_density_min   -0.970
_refine_diff_density_rms    0.238