# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2003


data_global

_journal_coden_Cambridge         182

loop_
_publ_author_name
'J. Nixon'
'Maria Helena Araujo'
'Peter B. Hitchcock'
'Uwe Kuehner'
'O. Stelzer'

_publ_contact_author_name        'Prof J Nixon'
_publ_contact_author_address     
;
The Chemistry Laboratory
Sussex University
CPES School
BN1 9QJ
UNITED KINGDOM
;

_publ_contact_author_email       J.NIXON@SUSSEX.AC.UK

_publ_requested_journal          'Chemical Communications'

_publ_section_title              
;
Synthesis of a n2-2,3-diphosphabutadiene complex of
zerovalent platinum from the corresponding n2-phosphaalkyne complex
;

data_feb798
_database_code_CSD               203326

_audit_creation_method           SHELXL
_chemical_name_systematic        
; 
? 
;
_chemical_name_common            [(Ph2PCH2CH2PPH2)Pt{tBuCH2PH(O)C(SiMe3)2}]
_chemical_formula_moiety         '(C38 H54 O1 P4 Pt1 Si2).3.5(C4 H8 O1)'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_sum            'C52 H82 O4.50 P4 Pt Si2'
_chemical_formula_weight         1154.33
_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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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'

_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                   27.187(5)
_cell_length_b                   19.897(8)
_cell_length_c                   20.892(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.94(2)
_cell_angle_gamma                90.00
_cell_volume                     11286.4(60)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    25
_cell_measurement_theta_min      7
_cell_measurement_theta_max      10

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             4768
_exptl_absorpt_coefficient_mu    2.683
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_T_max  1.00

_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       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w--2\q
_diffrn_standards_number         2
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  120
_diffrn_standards_decay_%        0
_diffrn_reflns_number            7980
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0750
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.05
_diffrn_reflns_theta_max         22.95
_reflns_number_total             7801
_reflns_number_observed          5652
_reflns_observed_criterion       >2sigma(I)

_computing_data_collection       'Enraf-Nonius CAD4'
_computing_cell_refinement       'Enraf-Nonius CAD4'
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'

_refine_special_details          
; 
There are five poorly defined tetrahydrofuran solvate molecules; two in
general positions and three lying across 2-fold rotation axes; which were
included with all non-H atoms as C and with H atoms omitted.

The H atoms for the complex were in riding mode, except for those on P4 and
C2 which were refined isotropic.

Refinement on F^2^ for ALL reflections except for 5 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^)+(0.0944P)^2^+57.4535P] 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    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00001(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         7796
_refine_ls_number_parameters     501
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_obs          0.0609
_refine_ls_wR_factor_all         0.1681
_refine_ls_wR_factor_obs         0.1468
_refine_ls_goodness_of_fit_all   1.059
_refine_ls_goodness_of_fit_obs   1.104
_refine_ls_restrained_S_all      1.066
_refine_ls_restrained_S_obs      1.104
_refine_ls_shift/esd_max         0.008
_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 0.241173(14) 0.52788(2) 0.02263(2) 0.0211(2) Uani 1 d . .
P1 P 0.28964(10) 0.52833(14) 0.11404(12) 0.0238(6) Uani 1 d . .
P2 P 0.17833(10) 0.54733(14) 0.09143(13) 0.0243(7) Uani 1 d . .
P3 P 0.30780(10) 0.54617(14) -0.04367(14) 0.0264(7) Uani 1 d . .
P4 P 0.26092(10) 0.48922(15) -0.10956(13) 0.0284(7) Uani 1 d . .
H1 H 0.2746(37) 0.4273(51) -0.0982(46) 0.034 Uiso 1 d . .
Si1 Si 0.17162(11) 0.5794(2) -0.11265(14) 0.0283(7) Uani 1 d . .
Si2 Si 0.16889(11) 0.4254(2) -0.0739(2) 0.0318(8) Uani 1 d . .
O1 O 0.2637(3) 0.4967(4) -0.1793(4) 0.044(2) Uani 1 d . .
C1 C 0.2049(3) 0.5082(5) -0.0715(4) 0.017(2) Uani 1 d . .
C2 C 0.3608(4) 0.4872(6) -0.0302(6) 0.032(3) Uani 1 d . .
H2B H 0.3517(42) 0.4456(59) -0.0332(53) 0.038 Uiso 1 d . .
H2A H 0.3738(40) 0.4846(52) 0.0207(56) 0.038 Uiso 1 d . .
C3 C 0.4062(4) 0.5037(7) -0.0670(6) 0.041(3) Uani 1 d . .
C4 C 0.4286(4) 0.5711(7) -0.0440(7) 0.056(4) Uani 1 d . .
H4A H 0.4578(4) 0.5811(7) -0.0681(7) 0.083 Uiso 1 calc R .
H4B H 0.4382(4) 0.5682(7) 0.0017(7) 0.083 Uiso 1 calc R .
H4C H 0.4043(4) 0.6070(7) -0.0511(7) 0.083 Uiso 1 calc R .
C5 C 0.4451(5) 0.4489(8) -0.0537(8) 0.067(5) Uani 1 d . .
H5A H 0.4745(5) 0.4591(8) -0.0773(8) 0.100 Uiso 1 calc R .
H5B H 0.4317(5) 0.4053(8) -0.0677(8) 0.100 Uiso 1 calc R .
H5C H 0.4540(5) 0.4473(8) -0.0077(8) 0.100 Uiso 1 calc R .
C6 C 0.3927(5) 0.5073(9) -0.1390(6) 0.068(5) Uani 1 d . .
H6A H 0.4222(5) 0.5179(9) -0.1621(6) 0.102 Uiso 1 calc R .
H6B H 0.3678(5) 0.5423(9) -0.1472(6) 0.102 Uiso 1 calc R .
H6C H 0.3794(5) 0.4638(9) -0.1537(6) 0.102 Uiso 1 calc R .
C7 C 0.2127(4) 0.6531(6) -0.1225(6) 0.042(3) Uani 1 d . .
H7A H 0.2416(4) 0.6393(6) -0.1453(6) 0.062 Uiso 1 calc R .
H7B H 0.2232(4) 0.6709(6) -0.0803(6) 0.062 Uiso 1 calc R .
H7C H 0.1948(4) 0.6880(6) -0.1472(6) 0.062 Uiso 1 calc R .
C8 C 0.1178(4) 0.6100(6) -0.0692(5) 0.033(3) Uani 1 d . .
H8A H 0.0951(4) 0.5726(6) -0.0629(5) 0.049 Uiso 1 calc R .
H8B H 0.1008(4) 0.6453(6) -0.0945(5) 0.049 Uiso 1 calc R .
H8C H 0.1292(4) 0.6282(6) -0.0275(5) 0.049 Uiso 1 calc R .
C9 C 0.1474(4) 0.5565(7) -0.1949(6) 0.042(3) Uani 1 d . .
H9A H 0.1254(4) 0.5177(7) -0.1925(6) 0.063 Uiso 1 calc R .
H9B H 0.1750(4) 0.5452(7) -0.2214(6) 0.063 Uiso 1 calc R .
H9C H 0.1292(4) 0.5946(7) -0.2139(6) 0.063 Uiso 1 calc R .
C10 C 0.1948(5) 0.3645(6) -0.0122(6) 0.046(3) Uani 1 d . .
H10A H 0.2302(5) 0.3589(6) -0.0173(6) 0.069 Uiso 1 calc R .
H10B H 0.1782(5) 0.3210(6) -0.0178(6) 0.069 Uiso 1 calc R .
H10C H 0.1894(5) 0.3819(6) 0.0308(6) 0.069 Uiso 1 calc R .
C11 C 0.1019(4) 0.4354(6) -0.0634(6) 0.042(3) Uani 1 d . .
H11A H 0.0969(4) 0.4581(6) -0.0227(6) 0.063 Uiso 1 calc R .
H11B H 0.0863(4) 0.3910(6) -0.0634(6) 0.063 Uiso 1 calc R .
H11C H 0.0873(4) 0.4623(6) -0.0988(6) 0.063 Uiso 1 calc R .
C12 C 0.1723(5) 0.3820(7) -0.1526(7) 0.053(4) Uani 1 d . .
H12A H 0.2069(5) 0.3748(7) -0.1618(7) 0.079 Uiso 1 calc R .
H12B H 0.1564(5) 0.4099(7) -0.1864(7) 0.079 Uiso 1 calc R .
H12C H 0.1554(5) 0.3386(7) -0.1510(7) 0.079 Uiso 1 calc R .
C13 C 0.2555(4) 0.5627(5) 0.1789(5) 0.024(2) Uani 1 d . .
H13A H 0.2720(4) 0.5513(5) 0.2208(5) 0.029 Uiso 1 calc R .
H13B H 0.2533(4) 0.6122(5) 0.1752(5) 0.029 Uiso 1 calc R .
C14 C 0.2040(4) 0.5312(6) 0.1730(5) 0.029(3) Uani 1 d . .
H14A H 0.1827(4) 0.5514(6) 0.2048(5) 0.035 Uiso 1 calc R .
H14B H 0.2061(4) 0.4822(6) 0.1810(5) 0.035 Uiso 1 calc R .
C15 C 0.3462(4) 0.5766(6) 0.1192(5) 0.032(3) Uani 1 d . .
C16 C 0.3890(4) 0.5516(7) 0.1498(6) 0.050(4) Uani 1 d . .
H16 H 0.3897(4) 0.5073(7) 0.1666(6) 0.060 Uiso 1 calc R .
C17 C 0.4304(5) 0.5921(9) 0.1553(8) 0.072(5) Uani 1 d . .
H17 H 0.4596(5) 0.5765(9) 0.1775(8) 0.086 Uiso 1 calc R .
C18 C 0.4287(6) 0.6561(9) 0.1278(8) 0.074(5) Uani 1 d . .
H18 H 0.4573(6) 0.6837(9) 0.1308(8) 0.089 Uiso 1 calc R .
C19 C 0.3871(6) 0.6798(7) 0.0969(8) 0.067(5) Uani 1 d . .
H19 H 0.3867(6) 0.7232(7) 0.0778(8) 0.080 Uiso 1 calc R .
C20 C 0.3460(5) 0.6403(6) 0.0938(6) 0.044(3) Uani 1 d . .
H20 H 0.3164(5) 0.6572(6) 0.0736(6) 0.053 Uiso 1 calc R .
C21 C 0.3055(4) 0.4434(5) 0.1396(5) 0.027(3) Uani 1 d . .
C22 C 0.3103(4) 0.3936(6) 0.0947(6) 0.037(3) Uani 1 d . .
H22 H 0.3055(4) 0.4039(6) 0.0504(6) 0.044 Uiso 1 calc R .
C23 C 0.3223(5) 0.3288(7) 0.1133(7) 0.052(4) Uani 1 d . .
H23 H 0.3260(5) 0.2946(7) 0.0821(7) 0.063 Uiso 1 calc R .
C24 C 0.3286(6) 0.3144(7) 0.1770(7) 0.063(4) Uani 1 d . .
H24 H 0.3363(6) 0.2696(7) 0.1900(7) 0.075 Uiso 1 calc R .
C25 C 0.3243(6) 0.3624(7) 0.2223(6) 0.056(4) Uani 1 d . .
H25 H 0.3298(6) 0.3515(7) 0.2664(6) 0.067 Uiso 1 calc R .
C26 C 0.3122(4) 0.4269(6) 0.2044(6) 0.040(3) Uani 1 d . .
H26 H 0.3083(4) 0.4603(6) 0.2362(6) 0.048 Uiso 1 calc R .
C27 C 0.1194(4) 0.5069(5) 0.0931(5) 0.027(3) Uani 1 d . .
C28 C 0.1164(4) 0.4389(6) 0.1110(6) 0.039(3) Uani 1 d . .
H28 H 0.1456(4) 0.4155(6) 0.1246(6) 0.047 Uiso 1 calc R .
C29 C 0.0712(5) 0.4054(7) 0.1089(7) 0.058(4) Uani 1 d . .
H29 H 0.0700(5) 0.3590(7) 0.1195(7) 0.070 Uiso 1 calc R .
C30 C 0.0284(5) 0.4393(8) 0.0917(7) 0.058(4) Uani 1 d . .
H30 H -0.0023(5) 0.4164(8) 0.0904(7) 0.070 Uiso 1 calc R .
C31 C 0.0304(5) 0.5054(8) 0.0764(6) 0.050(3) Uani 1 d . .
H31 H 0.0006(5) 0.5290(8) 0.0659(6) 0.060 Uiso 1 calc R .
C32 C 0.0752(4) 0.5394(6) 0.0757(6) 0.039(3) Uani 1 d . .
H32 H 0.0757(4) 0.5853(6) 0.0632(6) 0.047 Uiso 1 calc R .
C33 C 0.1665(4) 0.6366(5) 0.0975(5) 0.029(3) Uani 1 d . .
C34 C 0.1880(4) 0.6824(6) 0.0578(5) 0.032(3) Uani 1 d . .
H34 H 0.2078(4) 0.6664(6) 0.0248(5) 0.038 Uiso 1 calc R .
C35 C 0.1816(5) 0.7504(6) 0.0647(6) 0.042(3) Uani 1 d . .
H35 H 0.1968(5) 0.7805(6) 0.0365(6) 0.050 Uiso 1 calc R .
C36 C 0.1533(5) 0.7753(6) 0.1118(7) 0.051(4) Uani 1 d . .
H36 H 0.1493(5) 0.8224(6) 0.1168(7) 0.061 Uiso 1 calc R .
C37 C 0.1308(5) 0.7307(7) 0.1521(6) 0.050(4) Uani 1 d . .
H37 H 0.1105(5) 0.7474(7) 0.1842(6) 0.059 Uiso 1 calc R .
C38 C 0.1375(4) 0.6621(6) 0.1463(6) 0.038(3) Uani 1 d . .
H38 H 0.1226(4) 0.6322(6) 0.1750(6) 0.045 Uiso 1 calc R .
C51 C 0.5000 0.0388(25) 0.2500 0.195(20) Uiso 1 d S .
C52 C 0.4525(12) 0.0776(16) 0.2488(15) 0.165(11) Uiso 1 d . .
C53 C 0.4722(10) 0.1401(16) 0.2468(17) 0.179(13) Uiso 1 d . .
C61 C 0.0210(8) 0.3317(12) 0.2776(11) 0.117(8) Uiso 1 d . .
C62 C 0.0625(13) 0.2903(17) 0.2579(17) 0.078(10) Uiso 0.50 d P .
C63 C 0.0344(18) 0.2469(22) 0.2099(22) 0.117(15) Uiso 0.50 d P .
C64 C -0.0030(9) 0.2875(12) 0.1836(12) 0.039(6) Uiso 0.50 d P .
C71 C 0.4395(11) 0.2642(14) 0.0193(15) 0.153(10) Uiso 1 d . .
C72 C 0.4814(11) 0.2571(13) -0.0265(13) 0.145(9) Uiso 1 d . .
C73 C 0.5173(10) 0.2219(13) 0.0157(13) 0.133(8) Uiso 1 d . .
C74 C 0.5017(12) 0.2251(15) 0.0848(15) 0.159(11) Uiso 1 d . .
C75 C 0.4514(11) 0.2498(14) 0.0790(14) 0.145(10) Uiso 1 d . .
C81 C 0.1556(13) 0.1998(19) 0.1320(17) 0.195(14) Uiso 1 d . .
C82 C 0.1676(10) 0.1730(14) 0.2035(13) 0.139(9) Uiso 1 d . .
C83 C 0.2059(10) 0.2245(13) 0.2214(12) 0.136(9) Uiso 1 d . .
C84 C 0.1921(13) 0.2879(16) 0.1801(16) 0.172(12) Uiso 1 d . .
C85 C 0.1516(12) 0.2701(16) 0.1493(15) 0.161(11) Uiso 1 d . .
C91 C 0.5000 0.4458(14) 0.2500 0.089(8) Uiso 1 d S .
C92 C 0.4719(10) 0.4096(15) 0.2119(13) 0.153(10) Uiso 1 d . .
C93 C 0.4730(10) 0.3348(16) 0.2373(17) 0.180(13) Uiso 1 d . .

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 0.0174(2) 0.0275(3) 0.0193(2) -0.0003(2) 0.0086(2) -0.0005(2)
P1 0.0233(15) 0.0288(15) 0.0197(14) -0.0015(12) 0.0056(11) -0.0016(13)
P2 0.0214(15) 0.029(2) 0.023(2) 0.0005(12) 0.0100(12) 0.0008(12)
P3 0.0154(14) 0.037(2) 0.027(2) 0.0026(12) 0.0097(12) -0.0021(12)
P4 0.0209(15) 0.041(2) 0.024(2) -0.0042(13) 0.0079(12) 0.0014(13)
Si1 0.022(2) 0.040(2) 0.024(2) 0.0007(14) 0.0059(13) 0.0001(14)
Si2 0.026(2) 0.036(2) 0.034(2) -0.0095(15) 0.0087(14) -0.0046(14)
O1 0.028(5) 0.074(6) 0.029(5) -0.008(4) 0.011(4) 0.001(4)
C1 0.013(5) 0.028(6) 0.012(5) -0.007(4) 0.004(4) -0.001(4)
C2 0.017(6) 0.038(7) 0.042(8) 0.001(6) 0.011(5) 0.004(5)
C3 0.019(6) 0.057(8) 0.049(8) -0.003(6) 0.015(6) -0.001(6)
C4 0.014(6) 0.078(10) 0.075(10) 0.015(8) 0.009(6) 0.004(6)
C5 0.032(8) 0.077(11) 0.093(12) 0.009(9) 0.015(8) 0.023(7)
C6 0.038(8) 0.131(14) 0.038(8) -0.003(9) 0.027(7) -0.005(9)
C7 0.029(7) 0.053(8) 0.043(8) 0.012(6) 0.011(6) -0.008(6)
C8 0.024(6) 0.046(7) 0.029(6) 0.003(5) 0.005(5) 0.009(5)
C9 0.024(6) 0.060(8) 0.042(8) -0.002(6) -0.003(6) 0.007(6)
C10 0.041(8) 0.034(7) 0.065(9) 0.000(6) 0.017(7) -0.005(6)
C11 0.028(7) 0.051(8) 0.047(8) 0.001(6) 0.004(6) -0.001(6)
C12 0.034(7) 0.051(8) 0.075(10) -0.034(7) 0.015(7) -0.010(6)
C13 0.023(6) 0.029(6) 0.022(6) 0.000(5) 0.011(5) 0.010(5)
C14 0.031(6) 0.034(6) 0.024(6) -0.004(5) 0.016(5) 0.003(5)
C15 0.021(6) 0.040(7) 0.036(7) -0.001(6) 0.004(5) -0.006(5)
C16 0.028(7) 0.071(9) 0.050(9) 0.008(7) -0.003(6) -0.005(7)
C17 0.036(9) 0.097(13) 0.082(12) -0.014(10) -0.005(8) -0.015(9)
C18 0.052(10) 0.084(13) 0.088(13) -0.022(10) 0.016(9) -0.053(10)
C19 0.084(12) 0.045(9) 0.072(11) -0.005(8) 0.013(9) -0.041(9)
C20 0.048(8) 0.045(8) 0.039(8) -0.002(6) 0.011(6) -0.006(6)
C21 0.018(6) 0.032(6) 0.034(7) 0.006(5) 0.013(5) 0.003(5)
C22 0.043(8) 0.030(7) 0.037(7) 0.001(6) 0.003(6) 0.002(6)
C23 0.057(9) 0.049(9) 0.052(9) -0.014(7) 0.008(7) 0.014(7)
C24 0.083(12) 0.045(9) 0.060(11) 0.011(8) 0.003(9) 0.013(8)
C25 0.084(11) 0.048(9) 0.035(8) 0.013(7) -0.001(7) 0.013(8)
C26 0.046(8) 0.041(8) 0.033(7) 0.006(6) 0.006(6) 0.014(6)
C27 0.023(6) 0.033(6) 0.028(6) 0.000(5) 0.020(5) -0.002(5)
C28 0.031(7) 0.041(7) 0.046(8) 0.016(6) 0.010(6) -0.009(6)
C29 0.055(10) 0.048(8) 0.074(10) 0.011(7) 0.026(8) -0.024(7)
C30 0.023(7) 0.091(12) 0.063(10) -0.004(9) 0.021(7) -0.022(8)
C31 0.034(8) 0.070(10) 0.046(8) -0.004(7) 0.017(6) 0.008(7)
C32 0.025(7) 0.057(8) 0.038(7) -0.009(6) 0.023(5) 0.001(6)
C33 0.024(6) 0.023(6) 0.041(7) 0.000(5) 0.002(5) 0.000(5)
C34 0.036(7) 0.040(7) 0.019(6) 0.004(5) -0.002(5) 0.003(5)
C35 0.042(8) 0.030(7) 0.052(8) 0.008(6) -0.011(6) -0.005(6)
C36 0.065(10) 0.019(6) 0.067(10) -0.015(6) -0.017(8) 0.004(6)
C37 0.056(9) 0.050(9) 0.043(8) -0.021(7) 0.004(7) 0.015(7)
C38 0.038(7) 0.038(7) 0.038(7) -0.008(6) 0.011(6) 0.003(6)

_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 2.190(9) . ?
Pt P1 2.264(3) . ?
Pt P2 2.321(3) . ?
Pt P3 2.364(3) . ?
Pt P4 2.943(3) . ?
P1 C15 1.811(11) . ?
P1 C13 1.815(9) . ?
P1 C21 1.817(11) . ?
P2 C27 1.795(10) . ?
P2 C33 1.811(10) . ?
P2 C14 1.836(11) . ?
P3 C2 1.868(11) . ?
P3 P4 2.150(4) . ?
P4 O1 1.470(8) . ?
P4 C1 1.793(9) . ?
Si1 C7 1.861(11) . ?
Si1 C8 1.863(10) . ?
Si1 C9 1.864(12) . ?
Si1 C1 1.866(10) . ?
Si2 C11 1.855(11) . ?
Si2 C12 1.864(12) . ?
Si2 C10 1.880(13) . ?
Si2 C1 1.916(10) . ?
C2 C3 1.52(2) . ?
C3 C6 1.53(2) . ?
C3 C5 1.54(2) . ?
C3 C4 1.54(2) . ?
C13 C14 1.533(14) . ?
C15 C20 1.37(2) . ?
C15 C16 1.39(2) . ?
C16 C17 1.39(2) . ?
C17 C18 1.40(2) . ?
C18 C19 1.36(2) . ?
C19 C20 1.37(2) . ?
C21 C22 1.38(2) . ?
C21 C26 1.40(2) . ?
C22 C23 1.38(2) . ?
C23 C24 1.36(2) . ?
C24 C25 1.35(2) . ?
C25 C26 1.37(2) . ?
C27 C32 1.40(2) . ?
C27 C28 1.41(2) . ?
C28 C29 1.40(2) . ?
C29 C30 1.38(2) . ?
C30 C31 1.36(2) . ?
C31 C32 1.39(2) . ?
C33 C34 1.383(15) . ?
C33 C38 1.41(2) . ?
C34 C35 1.37(2) . ?
C35 C36 1.37(2) . ?
C36 C37 1.39(2) . ?
C37 C38 1.38(2) . ?
C51 C52 1.50(3) . ?
C51 C52 1.50(3) 6_656 ?
C52 C53 1.36(4) . ?
C53 C53 1.51(6) 6_656 ?
C61 C64 1.31(3) 6_556 ?
C61 C62 1.47(4) . ?
C61 C61 1.58(4) 6_556 ?
C62 C63 1.50(5) . ?
C63 C64 1.39(5) . ?
C64 C61 1.31(3) 6_556 ?
C71 C75 1.30(3) . ?
C71 C72 1.53(3) . ?
C72 C73 1.46(3) . ?
C73 C74 1.53(3) . ?
C74 C75 1.45(4) . ?
C81 C85 1.45(4) . ?
C81 C82 1.60(4) . ?
C82 C83 1.49(3) . ?
C83 C84 1.56(4) . ?
C84 C85 1.30(4) . ?
C91 C92 1.29(3) . ?
C91 C92 1.29(3) 6_656 ?
C92 C93 1.58(4) . ?
C93 C93 1.53(5) 6_656 ?

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 P1 166.9(3) . . ?
C1 Pt P2 105.9(2) . . ?
P1 Pt P2 83.80(10) . . ?
C1 Pt P3 79.9(2) . . ?
P1 Pt P3 93.63(10) . . ?
P2 Pt P3 161.38(10) . . ?
C1 Pt P4 37.4(2) . . ?
P1 Pt P4 131.79(9) . . ?
P2 Pt P4 143.17(9) . . ?
P3 Pt P4 46.23(9) . . ?
C15 P1 C13 102.7(5) . . ?
C15 P1 C21 106.8(5) . . ?
C13 P1 C21 104.7(5) . . ?
C15 P1 Pt 120.5(4) . . ?
C13 P1 Pt 109.5(4) . . ?
C21 P1 Pt 111.3(4) . . ?
C27 P2 C33 106.0(5) . . ?
C27 P2 C14 101.6(5) . . ?
C33 P2 C14 99.6(5) . . ?
C27 P2 Pt 128.6(4) . . ?
C33 P2 Pt 110.3(4) . . ?
C14 P2 Pt 106.8(3) . . ?
C2 P3 P4 101.1(4) . . ?
C2 P3 Pt 115.0(4) . . ?
P4 P3 Pt 81.21(12) . . ?
O1 P4 C1 120.4(5) . . ?
O1 P4 P3 121.5(4) . . ?
C1 P4 P3 95.4(3) . . ?
O1 P4 Pt 157.6(4) . . ?
C1 P4 Pt 47.9(3) . . ?
P3 P4 Pt 52.56(9) . . ?
C7 Si1 C8 106.6(5) . . ?
C7 Si1 C9 106.0(6) . . ?
C8 Si1 C9 106.2(5) . . ?
C7 Si1 C1 111.7(5) . . ?
C8 Si1 C1 113.5(5) . . ?
C9 Si1 C1 112.3(5) . . ?
C11 Si2 C12 104.3(6) . . ?
C11 Si2 C10 108.8(6) . . ?
C12 Si2 C10 105.8(6) . . ?
C11 Si2 C1 114.1(5) . . ?
C12 Si2 C1 111.9(5) . . ?
C10 Si2 C1 111.3(5) . . ?
P4 C1 Si1 111.1(5) . . ?
P4 C1 Si2 104.6(5) . . ?
Si1 C1 Si2 113.9(5) . . ?
P4 C1 Pt 94.7(4) . . ?
Si1 C1 Pt 117.6(5) . . ?
Si2 C1 Pt 112.5(5) . . ?
C3 C2 P3 115.2(8) . . ?
C2 C3 C6 110.3(10) . . ?
C2 C3 C5 108.9(11) . . ?
C6 C3 C5 109.8(11) . . ?
C2 C3 C4 110.4(10) . . ?
C6 C3 C4 109.7(12) . . ?
C5 C3 C4 107.6(11) . . ?
C14 C13 P1 106.6(7) . . ?
C13 C14 P2 107.8(7) . . ?
C20 C15 C16 119.7(11) . . ?
C20 C15 P1 118.6(9) . . ?
C16 C15 P1 121.7(9) . . ?
C17 C16 C15 119.3(14) . . ?
C16 C17 C18 119.0(14) . . ?
C19 C18 C17 121.5(13) . . ?
C18 C19 C20 118.8(14) . . ?
C19 C20 C15 121.7(13) . . ?
C22 C21 C26 118.6(10) . . ?
C22 C21 P1 119.9(8) . . ?
C26 C21 P1 121.4(9) . . ?
C21 C22 C23 120.7(11) . . ?
C24 C23 C22 119.2(13) . . ?
C25 C24 C23 121.5(13) . . ?
C24 C25 C26 119.9(12) . . ?
C25 C26 C21 120.1(12) . . ?
C32 C27 C28 117.0(10) . . ?
C32 C27 P2 123.0(9) . . ?
C28 C27 P2 120.0(8) . . ?
C29 C28 C27 120.9(12) . . ?
C30 C29 C28 120.4(13) . . ?
C31 C30 C29 119.6(12) . . ?
C30 C31 C32 121.1(13) . . ?
C31 C32 C27 121.0(12) . . ?
C34 C33 C38 117.7(10) . . ?
C34 C33 P2 121.5(9) . . ?
C38 C33 P2 120.7(8) . . ?
C35 C34 C33 121.8(11) . . ?
C34 C35 C36 120.7(12) . . ?
C35 C36 C37 118.9(11) . . ?
C38 C37 C36 121.0(12) . . ?
C37 C38 C33 119.9(12) . . ?
C52 C51 C52 118.3(42) . 6_656 ?
C53 C52 C51 97.5(32) . . ?
C52 C53 C53 113.1(20) . 6_656 ?
C64 C61 C62 96.5(22) 6_556 . ?
C64 C61 C61 99.9(20) 6_556 6_556 ?
C62 C61 C61 109.4(24) . 6_556 ?
C61 C62 C63 97.9(29) . . ?
C64 C63 C62 105.5(34) . . ?
C61 C64 C63 115.8(28) 6_556 . ?
C75 C71 C72 114.8(28) . . ?
C73 C72 C71 99.4(23) . . ?
C72 C73 C74 109.9(24) . . ?
C75 C74 C73 104.0(26) . . ?
C71 C75 C74 110.0(28) . . ?
C85 C81 C82 95.9(27) . . ?
C83 C82 C81 96.4(23) . . ?
C82 C83 C84 105.7(24) . . ?
C85 C84 C83 103.1(29) . . ?
C84 C85 C81 108.4(31) . . ?
C92 C91 C92 112.4(35) . 6_656 ?
C91 C92 C93 108.4(26) . . ?
C93 C93 C92 96.8(18) 6_656 . ?

_refine_diff_density_max         3.078
_refine_diff_density_min         -2.400
_refine_diff_density_rms         0.178

#===END