Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2002

data_global

_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Roulet, Raymond'
'Duprez, Virginie'
'Laurenczy, Gabor'
'Ros, Renzo'
'Schenk, Kurt'
'Tassan, Augusto'

_publ_contact_author_name     	'Prof Raymond ROULET'  
_publ_contact_author_address 
;
Faculte des Sciences de Base
EPFL
ICMB-CH U
1015 ECUBLENS
1015
SWITZERLAND
;

_publ_contact_author_email       'RAYMOND.ROULET@EPFL.CH'

_publ_section_title		
;
Reaction of Triangulo-clusters [Pt3(m-CO)3(PR3)3] with
hexafluorobutyne. The X-ray Structures of
[Pt2(CO)2(PR3)2(m-h2:h2-CF3-CºC-CF3)] (PR3 = PPh3 or PCy3) and
[Pt2(CO)2(PBzPh2) (m-h1:h1-CF3-CºC-CF3)2]
;

data_Compound_one

_database_code_CSD	183074


_audit_creation_method            SHELXL
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C84 H60 F12 O4 P4 Pt4'
_chemical_formula_weight          2265.56
_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'
'F'  'F'   0.0171   0.0103
'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                    14.810(3)
_cell_length_b                    15.703(3)
_cell_length_c                    18.227(4)
_cell_angle_alpha                 78.32(3)
_cell_angle_beta                  77.49(3)
_cell_angle_gamma                 88.93(3)
_cell_volume                      4051.1(14)
_cell_formula_units_Z             2
_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     1.857
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              2152
_exptl_absorpt_coefficient_mu     7.040
_exptl_absorpt_correction_type    integration
_exptl_absorpt_correction_T_min   0.1162
_exptl_absorpt_correction_T_max   0.3838

_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             46049
_diffrn_reflns_av_R_equivalents   0.0289
_diffrn_reflns_av_sigmaI/netI     0.0273
_diffrn_reflns_limit_h_min        -19
_diffrn_reflns_limit_h_max        19
_diffrn_reflns_limit_k_min        -20
_diffrn_reflns_limit_k_max        20
_diffrn_reflns_limit_l_min        -24
_diffrn_reflns_limit_l_max        24
_diffrn_reflns_theta_min          2.44
_diffrn_reflns_theta_max          27.99
_reflns_number_total              17658
_reflns_number_observed           15068
_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 1 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          17657
_refine_ls_number_parameters      973
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0343
_refine_ls_R_factor_obs           0.0262
_refine_ls_wR_factor_all          0.0438
_refine_ls_wR_factor_obs          0.0434
_refine_ls_goodness_of_fit_all    2.644
_refine_ls_goodness_of_fit_obs    2.852
_refine_ls_restrained_S_all       2.644
_refine_ls_restrained_S_obs       2.852
_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 0.184301(10) 0.173392(10) 0.001536(8) 0.03467(4) Uani 1 d . .
Pt2 Pt 0.336504(10) 0.302860(10) 0.000071(8) 0.03569(4) Uani 1 d . .
Pt3 Pt -0.281351(11) 0.225092(11) -0.507419(9) 0.03884(4) Uani 1 d . .
Pt4 Pt -0.459604(11) 0.325119(10) -0.460254(8) 0.03559(4) Uani 1 d . .
P1 P 0.03724(7) 0.21699(7) -0.00994(5) 0.0357(2) Uani 1 d . .
P2 P 0.48930(7) 0.29392(7) -0.05962(6) 0.0394(2) Uani 1 d . .
P3 P -0.14973(7) 0.24184(7) -0.46204(6) 0.0395(2) Uani 1 d . .
P4 P -0.60127(7) 0.25249(7) -0.42226(6) 0.0391(2) Uani 1 d . .
F1 F 0.1181(2) 0.1959(2) 0.1956(2) 0.0815(10) Uani 1 d . .
F2 F 0.1184(3) 0.3277(2) 0.1403(2) 0.0916(11) Uani 1 d . .
F3 F 0.2292(2) 0.2795(3) 0.19210(15) 0.0895(12) Uani 1 d . .
F4 F 0.2683(2) 0.0548(2) 0.1563(2) 0.0868(10) Uani 1 d . .
F5 F 0.3853(3) 0.0599(3) 0.0650(2) 0.124(2) Uani 1 d . .
F6 F 0.3827(3) 0.1362(2) 0.1482(2) 0.1076(14) Uani 1 d . .
F7 F -0.3447(2) 0.4894(2) -0.6029(3) 0.1113(13) Uani 1 d . .
F8 F -0.2296(3) 0.4212(2) -0.6453(2) 0.1141(13) Uani 1 d . .
F9 F -0.2380(3) 0.4648(2) -0.5423(2) 0.1118(15) Uani 1 d . .
F10 F -0.4735(2) 0.2107(2) -0.6169(2) 0.0805(10) Uani 1 d . .
F11 F -0.4526(3) 0.3457(3) -0.6586(2) 0.0960(12) Uani 1 d . .
F12 F -0.3416(2) 0.2607(3) -0.6805(2) 0.0937(12) Uani 1 d . .
O1 O 0.2179(3) 0.0471(3) -0.1050(2) 0.0862(13) Uani 1 d . .
O2 O 0.3131(3) 0.4960(2) -0.0502(2) 0.0818(12) Uani 1 d . .
O3 O -0.2697(4) 0.0355(3) -0.5130(3) 0.116(2) Uani 1 d . .
O4 O -0.4793(3) 0.4462(3) -0.3502(2) 0.0933(14) Uani 1 d . .
C1 C 0.2049(3) 0.0944(3) -0.0652(3) 0.0522(12) Uani 1 d . .
C2 C 0.3239(3) 0.4249(3) -0.0319(3) 0.0492(11) Uani 1 d . .
C3 C -0.2752(3) 0.1047(3) -0.5078(3) 0.0645(14) Uani 1 d . .
C4 C -0.4740(3) 0.4004(3) -0.3889(3) 0.0555(13) Uani 1 d . .
C5 C 0.2225(3) 0.2395(3) 0.0770(2) 0.0419(10) Uani 1 d . .
C5A C 0.2917(3) 0.1791(3) 0.0590(2) 0.0376(9) Uani 1 d . .
C6 C 0.1723(3) 0.2606(3) 0.1503(2) 0.0477(11) Uani 1 d . .
C6A C 0.3320(3) 0.1099(3) 0.1064(3) 0.0554(12) Uani 1 d . .
C7 C -0.3325(3) 0.3467(3) -0.5366(2) 0.0420(9) Uani 1 d . .
C7A C -0.3862(3) 0.2841(3) -0.5558(2) 0.0381(9) Uani 1 d . .
C8 C -0.2880(4) 0.4301(3) -0.5798(3) 0.0594(13) Uani 1 d . .
C8A C -0.4128(3) 0.2749(4) -0.6272(2) 0.0537(12) Uani 1 d . .
C10 C -0.0162(3) 0.1636(3) -0.0708(2) 0.0417(10) Uani 1 d . .
C11 C 0.0342(3) 0.1625(3) -0.1446(2) 0.0525(12) Uani 1 d . .
H11A H 0.0939(3) 0.1866(3) -0.1607(2) 0.063 Uiso 1 calc R .
C12 C -0.0036(4) 0.1262(4) -0.1932(3) 0.0643(14) Uani 1 d . .
H12A H 0.0294(4) 0.1283(4) -0.2432(3) 0.077 Uiso 1 calc R .
C13 C -0.0903(5) 0.0863(4) -0.1693(3) 0.082(2) Uani 1 d . .
H13A H -0.1139(5) 0.0580(4) -0.2016(3) 0.098 Uiso 1 calc R .
C14 C -0.1419(4) 0.0891(4) -0.0963(3) 0.078(2) Uani 1 d . .
H14A H -0.2021(4) 0.0663(4) -0.0806(3) 0.093 Uiso 1 calc R .
C15 C -0.1030(3) 0.1256(3) -0.0480(3) 0.0585(13) Uani 1 d . .
H15A H -0.1364(3) 0.1245(3) 0.0017(3) 0.070 Uiso 1 calc R .
C20 C -0.0417(3) 0.1966(3) 0.0842(2) 0.0415(10) Uani 1 d . .
C21 C -0.0457(3) 0.1147(4) 0.1287(3) 0.0588(12) Uani 1 d . .
H21A H -0.0122(3) 0.0706(4) 0.1091(3) 0.071 Uiso 1 calc R .
C22 C -0.0994(4) 0.0971(4) 0.2025(3) 0.073(2) Uani 1 d . .
H22A H -0.1033(4) 0.0410(4) 0.2321(3) 0.088 Uiso 1 calc R .
C23 C -0.1466(4) 0.1624(5) 0.2316(3) 0.075(2) Uani 1 d . .
H23A H -0.1821(4) 0.1510(5) 0.2815(3) 0.090 Uiso 1 calc R .
C24 C -0.1422(4) 0.2438(4) 0.1885(3) 0.074(2) Uani 1 d . .
H24A H -0.1745(4) 0.2878(4) 0.2092(3) 0.089 Uiso 1 calc R .
C25 C -0.0904(3) 0.2625(3) 0.1141(3) 0.0574(12) Uani 1 d . .
H25A H -0.0883(3) 0.3185(3) 0.0846(3) 0.069 Uiso 1 calc R .
C30 C 0.0256(3) 0.3321(3) -0.0495(2) 0.0375(9) Uani 1 d . .
C31 C -0.0484(4) 0.3618(3) -0.0827(3) 0.0634(14) Uani 1 d . .
H31A H -0.0956(4) 0.3236(3) -0.0826(3) 0.076 Uiso 1 calc R .
C32 C -0.0505(4) 0.4493(4) -0.1158(3) 0.079(2) Uani 1 d . .
H32A H -0.0995(4) 0.4693(4) -0.1385(3) 0.095 Uiso 1 calc R .
C33 C 0.0178(4) 0.5067(4) -0.1158(3) 0.072(2) Uani 1 d . .
H33A H 0.0156(4) 0.5648(4) -0.1394(3) 0.086 Uiso 1 calc R .
C34 C 0.0900(3) 0.4788(3) -0.0811(3) 0.0530(11) Uani 1 d . .
H34A H 0.1347(3) 0.5184(3) -0.0788(3) 0.064 Uiso 1 calc R .
C35 C 0.0955(3) 0.3910(3) -0.0496(2) 0.0447(10) Uani 1 d . .
H35A H 0.1457(3) 0.3713(3) -0.0285(2) 0.054 Uiso 1 calc R .
C40 C 0.5568(3) 0.2541(3) 0.0115(3) 0.0494(11) Uani 1 d . .
C41 C 0.5456(4) 0.2952(4) 0.0734(3) 0.074(2) Uani 1 d . .
H41A H 0.5064(4) 0.3419(4) 0.0761(3) 0.089 Uiso 1 calc R .
C42 C 0.5933(5) 0.2663(6) 0.1314(4) 0.107(3) Uani 1 d . .
H42A H 0.5857(5) 0.2945(6) 0.1725(4) 0.128 Uiso 1 calc R .
C43 C 0.6473(6) 0.2016(7) 0.1294(5) 0.116(3) Uani 1 d . .
H43A H 0.6808(6) 0.1863(7) 0.1676(5) 0.139 Uiso 1 calc R .
C44 C 0.6577(4) 0.1524(5) 0.0702(5) 0.108(3) Uani 1 d . .
H44A H 0.6947(4) 0.1038(5) 0.0700(5) 0.130 Uiso 1 calc R .
C45 C 0.6089(4) 0.1817(5) 0.0128(4) 0.087(2) Uani 1 d . .
H45A H 0.6121(4) 0.1507(5) -0.0260(4) 0.104 Uiso 1 calc R .
C50 C 0.5445(3) 0.3981(3) -0.1110(2) 0.0404(9) Uani 1 d . .
C51 C 0.6228(3) 0.4311(3) -0.0954(3) 0.0558(12) Uani 1 d . .
H51A H 0.6518(3) 0.3976(3) -0.0594(3) 0.067 Uiso 1 calc R .
C52 C 0.6584(4) 0.5130(4) -0.1326(3) 0.0638(14) Uani 1 d . .
H52A H 0.7101(4) 0.5352(4) -0.1207(3) 0.077 Uiso 1 calc R .
C53 C 0.6175(4) 0.5606(4) -0.1863(3) 0.072(2) Uani 1 d . .
H53A H 0.6405(4) 0.6162(4) -0.2105(3) 0.086 Uiso 1 calc R .
C54 C 0.5426(4) 0.5279(3) -0.2056(3) 0.0682(15) Uani 1 d . .
H54A H 0.5170(4) 0.5599(3) -0.2445(3) 0.082 Uiso 1 calc R .
C55 C 0.5057(3) 0.4476(3) -0.1670(2) 0.0549(12) Uani 1 d . .
H55A H 0.4536(3) 0.4264(3) -0.1789(2) 0.066 Uiso 1 calc R .
C60 C 0.5149(3) 0.2230(3) -0.1289(2) 0.0512(11) Uani 1 d . .
C61 C 0.5870(5) 0.2396(5) -0.1902(4) 0.118(3) Uani 1 d . .
H61A H 0.6234(5) 0.2898(5) -0.1988(4) 0.142 Uiso 1 calc R .
C62 C 0.6073(7) 0.1830(6) -0.2400(5) 0.157(4) Uani 1 d . .
H62A H 0.6578(7) 0.1943(6) -0.2813(5) 0.189 Uiso 1 calc R .
C63 C 0.5526(5) 0.1100(4) -0.2285(4) 0.089(2) Uani 1 d . .
H63A H 0.5659(5) 0.0715(4) -0.2618(4) 0.107 Uiso 1 calc R .
C64 C 0.4814(4) 0.0948(4) -0.1703(3) 0.080(2) Uani 1 d . .
H64A H 0.4452(4) 0.0447(4) -0.1625(3) 0.096 Uiso 1 calc R .
C65 C 0.4581(3) 0.1522(4) -0.1194(3) 0.0608(13) Uani 1 d . .
H65A H 0.4053(3) 0.1422(4) -0.0801(3) 0.073 Uiso 1 calc R .
C70 C -0.0933(3) 0.1412(3) -0.4303(2) 0.0461(10) Uani 1 d . .
C71 C -0.1479(4) 0.0757(3) -0.3776(3) 0.0607(13) Uani 1 d . .
H71A H -0.2107(4) 0.0836(3) -0.3603(3) 0.073 Uiso 1 calc R .
C73 C -0.0150(6) -0.0145(5) -0.3743(4) 0.101(3) Uani 1 d . .
H73A H 0.0107(6) -0.0672(5) -0.3569(4) 0.121 Uiso 1 calc R .
C72 C -0.1069(6) -0.0028(4) -0.3507(3) 0.088(2) Uani 1 d . .
H72A H -0.1435(6) -0.0473(4) -0.3161(3) 0.105 Uiso 1 calc R .
C74 C 0.0401(5) 0.0512(6) -0.4239(5) 0.104(2) Uani 1 d . .
H74A H 0.1036(5) 0.0442(6) -0.4384(5) 0.124 Uiso 1 calc R .
C75 C 0.0001(4) 0.1288(4) -0.4523(3) 0.075(2) Uani 1 d . .
H75A H 0.0373(4) 0.1728(4) -0.4868(3) 0.091 Uiso 1 calc R .
C80 C -0.0640(3) 0.3070(3) -0.5365(3) 0.0492(11) Uani 1 d . .
C81 C -0.0527(4) 0.2937(4) -0.6119(3) 0.078(2) Uani 1 d . .
H81A H -0.0895(4) 0.2514(4) -0.6211(3) 0.094 Uiso 1 calc R .
C82 C 0.0097(4) 0.3398(5) -0.6719(3) 0.087(2) Uani 1 d . .
H82A H 0.0187(4) 0.3267(5) -0.7205(3) 0.105 Uiso 1 calc R .
C83 C 0.0581(6) 0.4049(6) -0.6594(4) 0.118(3) Uani 1 d . .
H83A H 0.0976(6) 0.4393(6) -0.7011(4) 0.141 Uiso 1 calc R .
C84 C 0.0523(5) 0.4229(5) -0.5894(5) 0.108(2) Uani 1 d . .
H84A H 0.0880(5) 0.4678(5) -0.5829(5) 0.130 Uiso 1 calc R .
C85 C -0.0090(4) 0.3723(4) -0.5261(4) 0.083(2) Uani 1 d . .
H85A H -0.0126(4) 0.3828(4) -0.4771(4) 0.100 Uiso 1 calc R .
C90 C -0.1648(3) 0.2952(3) -0.3800(2) 0.0413(10) Uani 1 d . .
C91 C -0.1062(4) 0.2789(4) -0.3287(3) 0.072(2) Uani 1 d . .
H91A H -0.0592(4) 0.2391(4) -0.3348(3) 0.086 Uiso 1 calc R .
C92 C -0.1184(5) 0.3224(4) -0.2686(3) 0.088(2) Uani 1 d . .
H92A H -0.0785(5) 0.3122(4) -0.2350(3) 0.106 Uiso 1 calc R .
C93 C -0.1869(3) 0.3792(4) -0.2576(3) 0.0626(14) Uani 1 d . .
H93A H -0.1952(3) 0.4062(4) -0.2157(3) 0.075 Uiso 1 calc R .
C94 C -0.2447(3) 0.3973(3) -0.3086(3) 0.0639(14) Uani 1 d . .
H94A H -0.2913(3) 0.4375(3) -0.3022(3) 0.077 Uiso 1 calc R .
C95 C -0.2324(3) 0.3546(3) -0.3695(3) 0.0493(11) Uani 1 d . .
H95A H -0.2710(3) 0.3668(3) -0.4041(3) 0.059 Uiso 1 calc R .
C100 C -0.5955(3) 0.1364(3) -0.3801(2) 0.0463(10) Uani 1 d . .
C101 C -0.5232(4) 0.0894(3) -0.4147(3) 0.0592(12) Uani 1 d . .
H10A H -0.4796(4) 0.1170(3) -0.4573(3) 0.071 Uiso 1 calc R .
C102 C -0.5169(4) 0.0029(4) -0.3854(3) 0.077(2) Uani 1 d . .
H10B H -0.4690(4) -0.0287(4) -0.4082(3) 0.092 Uiso 1 calc R .
C103 C -0.5802(5) -0.0366(4) -0.3236(3) 0.080(2) Uani 1 d . .
H10C H -0.5745(5) -0.0952(4) -0.3034(3) 0.096 Uiso 1 calc R .
C104 C -0.6518(4) 0.0073(4) -0.2904(3) 0.074(2) Uani 1 d . .
H10D H -0.6943(4) -0.0218(4) -0.2477(3) 0.089 Uiso 1 calc R .
C105 C -0.6630(4) 0.0940(3) -0.3187(3) 0.0657(14) Uani 1 d . .
H10E H -0.7140(4) 0.1233(3) -0.2975(3) 0.079 Uiso 1 calc R .
C110 C -0.6605(3) 0.2550(3) -0.5005(2) 0.0428(10) Uani 1 d . .
C111 C -0.6623(4) 0.3336(4) -0.5501(2) 0.0608(13) Uani 1 d . .
H11B H -0.6320(4) 0.3822(4) -0.5440(2) 0.073 Uiso 1 calc R .
C112 C -0.7096(4) 0.3404(5) -0.6094(3) 0.082(2) Uani 1 d . .
H11C H -0.7148(4) 0.3939(5) -0.6411(3) 0.099 Uiso 1 calc R .
C113 C -0.7482(5) 0.2660(5) -0.6198(4) 0.092(2) Uani 1 d . .
H11D H -0.7777(5) 0.2692(5) -0.6604(4) 0.110 Uiso 1 calc R .
C114 C -0.7443(5) 0.1891(5) -0.5731(4) 0.098(2) Uani 1 d . .
H11E H -0.7718(5) 0.1405(5) -0.5819(4) 0.118 Uiso 1 calc R .
C115 C -0.7008(4) 0.1795(4) -0.5119(3) 0.0614(13) Uani 1 d . .
H11F H -0.6984(4) 0.1256(4) -0.4799(3) 0.074 Uiso 1 calc R .
C120 C -0.6863(3) 0.2932(3) -0.3500(2) 0.0467(10) Uani 1 d . .
C121 C -0.6644(4) 0.2950(4) -0.2809(3) 0.0666(15) Uani 1 d . .
H12B H -0.6084(4) 0.2743(4) -0.2701(3) 0.080 Uiso 1 calc R .
C122 C -0.7307(6) 0.3297(4) -0.2262(3) 0.091(2) Uani 1 d . .
H12C H -0.7167(6) 0.3329(4) -0.1795(3) 0.109 Uiso 1 calc R .
C123 C -0.8133(5) 0.3580(5) -0.2400(4) 0.094(2) Uani 1 d . .
H12D H -0.8547(5) 0.3811(5) -0.2034(4) 0.112 Uiso 1 calc R .
C124 C -0.8359(4) 0.3528(4) -0.3077(4) 0.088(2) Uani 1 d . .
H12E H -0.8934(4) 0.3705(4) -0.3169(4) 0.105 Uiso 1 calc R .
C125 C -0.7715(4) 0.3204(3) -0.3630(3) 0.0649(14) Uani 1 d . .
H12F H -0.7864(4) 0.3173(3) -0.4094(3) 0.078 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 0.03312(9) 0.03366(8) 0.03719(8) -0.00692(6) -0.00783(7) 0.00133(6)
Pt2 0.03296(9) 0.03893(9) 0.03517(7) -0.00611(6) -0.00851(7) -0.00119(6)
Pt3 0.03940(9) 0.03379(9) 0.04413(8) -0.00841(7) -0.01074(7) 0.00579(7)
Pt4 0.03749(9) 0.03135(8) 0.03896(8) -0.00894(6) -0.00894(7) 0.00166(6)
P1 0.0348(6) 0.0367(6) 0.0377(5) -0.0105(4) -0.0096(5) 0.0013(4)
P2 0.0358(6) 0.0411(6) 0.0388(5) -0.0055(5) -0.0049(5) -0.0019(5)
P3 0.0361(6) 0.0403(6) 0.0418(5) -0.0093(5) -0.0072(5) 0.0074(5)
P4 0.0436(6) 0.0367(6) 0.0365(5) -0.0075(4) -0.0070(5) -0.0030(5)
F1 0.087(2) 0.095(3) 0.050(2) -0.014(2) 0.014(2) -0.029(2)
F2 0.115(3) 0.099(3) 0.056(2) -0.028(2) -0.001(2) 0.045(2)
F3 0.070(2) 0.159(4) 0.0481(15) -0.041(2) -0.011(2) -0.025(2)
F4 0.075(2) 0.071(2) 0.092(2) 0.042(2) -0.024(2) -0.019(2)
F5 0.143(4) 0.115(3) 0.099(2) 0.004(2) -0.024(3) 0.090(3)
F6 0.112(3) 0.097(3) 0.121(3) 0.027(2) -0.085(3) -0.024(2)
F7 0.069(2) 0.060(2) 0.178(4) 0.045(2) -0.033(3) -0.001(2)
F8 0.120(4) 0.075(3) 0.103(3) 0.018(2) 0.036(2) -0.002(2)
F9 0.118(3) 0.069(2) 0.146(3) 0.028(2) -0.064(3) -0.053(2)
F10 0.075(2) 0.108(3) 0.077(2) -0.052(2) -0.024(2) -0.007(2)
F11 0.126(3) 0.109(3) 0.065(2) -0.015(2) -0.054(2) 0.040(2)
F12 0.077(2) 0.163(4) 0.046(2) -0.042(2) -0.006(2) 0.018(2)
O1 0.103(3) 0.079(3) 0.097(3) -0.057(2) -0.030(2) 0.029(2)
O2 0.096(3) 0.035(2) 0.114(3) -0.002(2) -0.033(3) 0.004(2)
O3 0.126(4) 0.058(3) 0.195(5) -0.063(3) -0.068(4) 0.034(3)
O4 0.095(3) 0.095(3) 0.118(3) -0.076(3) -0.035(3) 0.020(3)
C1 0.054(3) 0.050(3) 0.058(3) -0.019(2) -0.017(2) 0.018(2)
C2 0.037(3) 0.057(3) 0.053(3) -0.012(2) -0.009(2) 0.002(2)
C3 0.052(3) 0.044(3) 0.103(4) -0.019(3) -0.026(3) 0.018(2)
C4 0.057(3) 0.060(3) 0.059(3) -0.031(3) -0.017(2) 0.007(2)
C5 0.044(3) 0.053(3) 0.030(2) -0.008(2) -0.010(2) -0.012(2)
C5A 0.037(2) 0.036(2) 0.039(2) 0.001(2) -0.014(2) -0.005(2)
C6 0.047(3) 0.058(3) 0.039(2) -0.014(2) -0.008(2) -0.002(2)
C6A 0.043(3) 0.060(3) 0.060(3) 0.001(2) -0.017(3) 0.001(2)
C7 0.046(3) 0.030(2) 0.047(2) 0.000(2) -0.010(2) 0.005(2)
C7A 0.034(2) 0.044(2) 0.035(2) -0.007(2) -0.005(2) 0.009(2)
C8 0.042(3) 0.049(3) 0.072(3) 0.012(2) -0.002(3) 0.003(2)
C8A 0.052(3) 0.067(3) 0.046(2) -0.021(2) -0.012(2) 0.021(3)
C10 0.044(3) 0.041(2) 0.047(2) -0.015(2) -0.020(2) 0.009(2)
C11 0.056(3) 0.053(3) 0.053(3) -0.013(2) -0.021(2) 0.009(2)
C12 0.089(4) 0.066(4) 0.047(3) -0.021(2) -0.027(3) 0.015(3)
C13 0.130(6) 0.058(4) 0.073(4) -0.014(3) -0.054(4) -0.016(4)
C14 0.092(4) 0.076(4) 0.073(3) -0.011(3) -0.034(3) -0.034(3)
C15 0.048(3) 0.074(4) 0.052(3) -0.014(2) -0.004(2) -0.018(2)
C20 0.033(2) 0.051(3) 0.041(2) -0.011(2) -0.008(2) -0.001(2)
C21 0.054(3) 0.062(3) 0.052(3) -0.002(2) -0.004(3) 0.013(2)
C22 0.058(4) 0.094(5) 0.053(3) 0.007(3) -0.002(3) 0.002(3)
C23 0.055(4) 0.111(6) 0.054(3) -0.012(3) -0.006(3) -0.006(4)
C24 0.063(4) 0.093(5) 0.066(3) -0.047(3) 0.015(3) -0.006(3)
C25 0.048(3) 0.057(3) 0.061(3) -0.017(2) 0.007(2) -0.004(2)
C30 0.039(2) 0.038(2) 0.037(2) -0.011(2) -0.009(2) 0.005(2)
C31 0.063(3) 0.053(3) 0.087(3) -0.018(3) -0.041(3) 0.005(3)
C32 0.110(5) 0.045(3) 0.105(4) -0.014(3) -0.074(4) 0.024(3)
C33 0.109(5) 0.046(3) 0.074(3) -0.020(3) -0.043(3) 0.024(3)
C34 0.061(3) 0.035(3) 0.064(3) -0.008(2) -0.018(3) 0.006(2)
C35 0.040(3) 0.047(3) 0.046(2) -0.008(2) -0.010(2) -0.001(2)
C40 0.038(3) 0.041(3) 0.069(3) 0.000(2) -0.020(2) -0.001(2)
C41 0.074(4) 0.091(5) 0.065(3) -0.008(3) -0.039(3) 0.017(3)
C42 0.115(6) 0.136(7) 0.079(4) 0.006(4) -0.066(5) -0.001(5)
C43 0.087(6) 0.130(8) 0.117(6) 0.046(5) -0.055(5) -0.032(5)
C44 0.051(4) 0.089(6) 0.159(7) 0.028(5) -0.015(5) 0.023(3)
C45 0.070(4) 0.092(5) 0.098(4) -0.006(4) -0.029(4) 0.029(4)
C50 0.049(3) 0.037(2) 0.032(2) -0.004(2) -0.005(2) 0.001(2)
C51 0.066(3) 0.047(3) 0.054(3) -0.006(2) -0.015(3) -0.014(2)
C52 0.072(4) 0.065(4) 0.048(3) -0.006(2) -0.003(3) -0.024(3)
C53 0.102(5) 0.049(3) 0.055(3) -0.015(3) 0.012(3) -0.025(3)
C54 0.105(5) 0.049(3) 0.044(2) 0.004(2) -0.013(3) 0.003(3)
C55 0.055(3) 0.067(4) 0.044(2) -0.013(2) -0.010(2) -0.010(2)
C60 0.059(3) 0.046(3) 0.045(2) -0.012(2) 0.000(2) -0.002(2)
C61 0.121(6) 0.085(5) 0.115(5) -0.048(4) 0.075(5) -0.049(4)
C62 0.178(9) 0.132(8) 0.130(6) -0.082(6) 0.093(6) -0.074(7)
C63 0.109(5) 0.071(4) 0.081(4) -0.038(3) 0.014(4) -0.011(4)
C64 0.084(4) 0.070(4) 0.094(4) -0.045(3) -0.006(4) -0.012(3)
C65 0.039(3) 0.078(4) 0.061(3) -0.021(3) 0.004(2) -0.004(3)
C70 0.046(3) 0.051(3) 0.045(2) -0.014(2) -0.015(2) 0.015(2)
C71 0.066(4) 0.061(3) 0.055(3) -0.007(3) -0.018(3) 0.015(3)
C73 0.125(7) 0.091(6) 0.101(5) -0.021(5) -0.061(6) 0.054(5)
C72 0.135(7) 0.073(4) 0.055(3) 0.000(3) -0.034(4) 0.021(4)
C74 0.078(5) 0.113(7) 0.126(6) -0.035(5) -0.028(5) 0.053(5)
C75 0.073(4) 0.074(4) 0.075(3) -0.010(3) -0.013(3) 0.025(3)
C80 0.043(3) 0.049(3) 0.056(3) -0.016(2) -0.006(2) 0.009(2)
C81 0.056(4) 0.119(6) 0.051(3) -0.009(3) -0.002(3) -0.008(3)
C82 0.050(4) 0.132(7) 0.059(3) -0.005(4) 0.021(3) 0.004(4)
C83 0.118(7) 0.115(7) 0.080(5) 0.019(5) 0.032(5) -0.020(5)
C84 0.073(5) 0.088(5) 0.135(6) -0.033(5) 0.051(5) -0.033(4)
C85 0.071(4) 0.088(5) 0.086(4) -0.027(3) 0.003(3) -0.025(3)
C90 0.034(2) 0.045(3) 0.046(2) -0.015(2) -0.007(2) 0.003(2)
C91 0.077(4) 0.084(4) 0.069(3) -0.034(3) -0.031(3) 0.037(3)
C92 0.116(5) 0.108(5) 0.067(3) -0.045(4) -0.055(4) 0.044(4)
C93 0.062(3) 0.075(4) 0.056(3) -0.035(3) -0.003(3) 0.009(3)
C94 0.056(3) 0.056(3) 0.085(4) -0.033(3) -0.010(3) 0.007(3)
C95 0.039(3) 0.052(3) 0.061(3) -0.021(2) -0.011(2) 0.010(2)
C100 0.065(3) 0.034(2) 0.037(2) -0.004(2) -0.009(2) -0.008(2)
C101 0.069(4) 0.041(3) 0.059(3) -0.009(2) 0.004(3) 0.000(2)
C102 0.096(5) 0.045(3) 0.077(4) -0.012(3) 0.005(4) 0.010(3)
C103 0.115(6) 0.044(3) 0.068(3) -0.001(3) 0.000(4) -0.006(3)
C104 0.091(5) 0.051(3) 0.061(3) 0.002(3) 0.014(3) -0.025(3)
C105 0.088(4) 0.045(3) 0.059(3) -0.009(2) -0.003(3) -0.008(3)
C110 0.037(2) 0.052(3) 0.040(2) -0.013(2) -0.005(2) -0.002(2)
C111 0.062(3) 0.068(4) 0.048(3) 0.003(2) -0.016(3) 0.004(3)
C112 0.084(5) 0.101(5) 0.060(3) 0.001(3) -0.029(3) 0.007(4)
C113 0.107(5) 0.112(6) 0.068(4) -0.020(4) -0.044(4) 0.017(4)
C114 0.112(6) 0.114(6) 0.088(4) -0.031(4) -0.054(4) -0.017(5)
C115 0.075(4) 0.056(3) 0.062(3) -0.016(2) -0.032(3) 0.001(3)
C120 0.054(3) 0.035(2) 0.045(2) -0.008(2) 0.002(2) -0.003(2)
C121 0.079(4) 0.070(4) 0.047(3) -0.020(2) 0.004(3) -0.021(3)
C122 0.121(6) 0.081(5) 0.062(3) -0.032(3) 0.021(4) -0.036(4)
C123 0.094(6) 0.084(5) 0.085(4) -0.038(4) 0.040(4) -0.008(4)
C124 0.061(4) 0.085(5) 0.088(4) 0.000(4) 0.031(3) 0.014(3)
C125 0.083(4) 0.055(3) 0.048(3) -0.012(2) 0.006(3) 0.006(3)

_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 1.885(4) . ?
Pt1 C5 2.056(3) . ?
Pt1 C5A 2.098(3) . ?
Pt1 P1 2.3107(11) . ?
Pt1 Pt2 3.0558(9) . ?
Pt2 C2 1.905(5) . ?
Pt2 C5A 2.065(4) . ?
Pt2 C5 2.069(4) . ?
Pt2 P2 2.3038(13) . ?
Pt3 C3 1.892(5) . ?
Pt3 C7 2.053(4) . ?
Pt3 C7A 2.063(4) . ?
Pt3 P3 2.3149(11) . ?
Pt3 Pt4 3.0958(10) . ?
Pt4 C4 1.904(4) . ?
Pt4 C7A 2.059(4) . ?
Pt4 C7 2.072(4) . ?
Pt4 P4 2.3069(13) . ?
P1 C30 1.825(4) . ?
P1 C20 1.826(4) . ?
P1 C10 1.828(3) . ?
P2 C40 1.811(4) . ?
P2 C50 1.822(4) . ?
P2 C60 1.823(4) . ?
P3 C80 1.801(5) . ?
P3 C70 1.822(5) . ?
P3 C90 1.830(4) . ?
P4 C120 1.823(4) . ?
P4 C110 1.824(4) . ?
P4 C100 1.838(4) . ?
F1 C6 1.327(5) . ?
F2 C6 1.317(5) . ?
F3 C6 1.326(4) . ?
F4 C6A 1.344(6) . ?
F5 C6A 1.330(6) . ?
F6 C6A 1.306(5) . ?
F7 C8 1.310(5) . ?
F8 C8 1.345(6) . ?
F9 C8 1.303(5) . ?
F10 C8A 1.320(6) . ?
F11 C8A 1.331(5) . ?
F12 C8A 1.319(5) . ?
O1 C1 1.125(5) . ?
O2 C2 1.118(6) . ?
O3 C3 1.109(6) . ?
O4 C4 1.096(5) . ?
C5 C5A 1.416(6) . ?
C5 C6 1.479(6) . ?
C5A C6A 1.450(6) . ?
C7 C7A 1.418(5) . ?
C7 C8 1.469(6) . ?
C7A C8A 1.474(5) . ?
C10 C15 1.370(6) . ?
C10 C11 1.394(6) . ?
C11 C12 1.362(5) . ?
C12 C13 1.382(8) . ?
C13 C14 1.391(8) . ?
C14 C15 1.369(6) . ?
C20 C21 1.369(6) . ?
C20 C25 1.385(6) . ?
C21 C22 1.383(7) . ?
C22 C23 1.362(8) . ?
C23 C24 1.352(8) . ?
C24 C25 1.383(7) . ?
C30 C31 1.392(5) . ?
C30 C35 1.400(5) . ?
C31 C32 1.387(7) . ?
C32 C33 1.368(8) . ?
C33 C34 1.377(6) . ?
C34 C35 1.391(6) . ?
C40 C45 1.361(7) . ?
C40 C41 1.387(7) . ?
C41 C42 1.393(7) . ?
C42 C43 1.283(11) . ?
C43 C44 1.431(11) . ?
C44 C45 1.397(8) . ?
C50 C55 1.377(6) . ?
C50 C51 1.385(6) . ?
C51 C52 1.382(7) . ?
C52 C53 1.352(7) . ?
C53 C54 1.372(7) . ?
C54 C55 1.371(7) . ?
C60 C61 1.354(7) . ?
C60 C65 1.366(7) . ?
C61 C62 1.380(8) . ?
C62 C63 1.370(10) . ?
C63 C64 1.309(8) . ?
C64 C65 1.409(7) . ?
C70 C75 1.376(7) . ?
C70 C71 1.389(7) . ?
C71 C72 1.409(7) . ?
C73 C72 1.357(9) . ?
C73 C74 1.371(10) . ?
C74 C75 1.398(9) . ?
C80 C85 1.389(7) . ?
C80 C81 1.405(6) . ?
C81 C82 1.356(8) . ?
C82 C83 1.344(9) . ?
C83 C84 1.346(9) . ?
C84 C85 1.409(9) . ?
C90 C95 1.365(6) . ?
C90 C91 1.392(6) . ?
C91 C92 1.382(6) . ?
C92 C93 1.347(7) . ?
C93 C94 1.381(6) . ?
C94 C95 1.388(6) . ?
C100 C105 1.390(7) . ?
C100 C101 1.398(7) . ?
C101 C102 1.365(7) . ?
C102 C103 1.346(8) . ?
C103 C104 1.353(8) . ?
C104 C105 1.375(7) . ?
C110 C111 1.377(7) . ?
C110 C115 1.409(6) . ?
C111 C112 1.396(6) . ?
C112 C113 1.373(9) . ?
C113 C114 1.338(9) . ?
C114 C115 1.385(7) . ?
C120 C121 1.373(6) . ?
C120 C125 1.377(7) . ?
C121 C122 1.425(8) . ?
C122 C123 1.351(9) . ?
C123 C124 1.364(8) . ?
C124 C125 1.399(7) . ?

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 C5 153.2(2) . . ?
C1 Pt1 C5A 113.4(2) . . ?
C5 Pt1 C5A 39.8(2) . . ?
C1 Pt1 P1 100.06(14) . . ?
C5 Pt1 P1 106.77(13) . . ?
C5A Pt1 P1 146.25(12) . . ?
C1 Pt1 Pt2 120.6(2) . . ?
C5 Pt1 Pt2 42.37(12) . . ?
C5A Pt1 Pt2 42.36(11) . . ?
P1 Pt1 Pt2 122.03(3) . . ?
C2 Pt2 C5A 154.8(2) . . ?
C2 Pt2 C5 114.7(2) . . ?
C5A Pt2 C5 40.0(2) . . ?
C2 Pt2 P2 98.14(14) . . ?
C5A Pt2 P2 107.06(13) . . ?
C5 Pt2 P2 146.63(13) . . ?
C2 Pt2 Pt1 121.39(12) . . ?
C5A Pt2 Pt1 43.20(9) . . ?
C5 Pt2 Pt1 42.05(9) . . ?
P2 Pt2 Pt1 123.96(3) . . ?
C3 Pt3 C7 152.8(2) . . ?
C3 Pt3 C7A 112.8(2) . . ?
C7 Pt3 C7A 40.30(15) . . ?
C3 Pt3 P3 99.15(14) . . ?
C7 Pt3 P3 107.35(11) . . ?
C7A Pt3 P3 147.52(12) . . ?
C3 Pt3 Pt4 125.9(2) . . ?
C7 Pt3 Pt4 41.60(13) . . ?
C7A Pt3 Pt4 41.27(10) . . ?
P3 Pt3 Pt4 121.82(3) . . ?
C4 Pt4 C7A 151.1(2) . . ?
C4 Pt4 C7 111.1(2) . . ?
C7A Pt4 C7 40.14(15) . . ?
C4 Pt4 P4 100.5(2) . . ?
C7A Pt4 P4 108.22(12) . . ?
C7 Pt4 P4 148.36(11) . . ?
C4 Pt4 Pt3 124.17(14) . . ?
C7A Pt4 Pt3 41.36(10) . . ?
C7 Pt4 Pt3 41.14(11) . . ?
P4 Pt4 Pt3 120.01(3) . . ?
C30 P1 C20 105.0(2) . . ?
C30 P1 C10 102.5(2) . . ?
C20 P1 C10 106.0(2) . . ?
C30 P1 Pt1 116.15(13) . . ?
C20 P1 Pt1 110.26(13) . . ?
C10 P1 Pt1 115.93(14) . . ?
C40 P2 C50 104.4(2) . . ?
C40 P2 C60 105.6(2) . . ?
C50 P2 C60 104.7(2) . . ?
C40 P2 Pt2 109.8(2) . . ?
C50 P2 Pt2 114.20(15) . . ?
C60 P2 Pt2 117.1(2) . . ?
C80 P3 C70 105.8(2) . . ?
C80 P3 C90 105.6(2) . . ?
C70 P3 C90 103.3(2) . . ?
C80 P3 Pt3 109.89(14) . . ?
C70 P3 Pt3 115.21(14) . . ?
C90 P3 Pt3 116.14(13) . . ?
C120 P4 C110 103.8(2) . . ?
C120 P4 C100 103.6(2) . . ?
C110 P4 C100 104.7(2) . . ?
C120 P4 Pt4 115.75(14) . . ?
C110 P4 Pt4 113.51(15) . . ?
C100 P4 Pt4 114.1(2) . . ?
O1 C1 Pt1 179.4(4) . . ?
O2 C2 Pt2 177.4(4) . . ?
O3 C3 Pt3 175.6(6) . . ?
O4 C4 Pt4 176.7(5) . . ?
C5A C5 C6 132.9(4) . . ?
C5A C5 Pt1 71.7(2) . . ?
C6 C5 Pt1 132.8(3) . . ?
C5A C5 Pt2 69.8(2) . . ?
C6 C5 Pt2 128.7(3) . . ?
Pt1 C5 Pt2 95.6(2) . . ?
C5 C5A C6A 132.4(4) . . ?
C5 C5A Pt2 70.1(2) . . ?
C6A C5A Pt2 133.9(3) . . ?
C5 C5A Pt1 68.5(2) . . ?
C6A C5A Pt1 129.7(3) . . ?
Pt2 C5A Pt1 94.44(15) . . ?
F2 C6 F3 106.6(4) . . ?
F2 C6 F1 105.9(4) . . ?
F3 C6 F1 105.1(4) . . ?
F2 C6 C5 112.7(4) . . ?
F3 C6 C5 112.2(4) . . ?
F1 C6 C5 113.7(4) . . ?
F6 C6A F5 106.3(5) . . ?
F6 C6A F4 105.1(4) . . ?
F5 C6A F4 104.7(5) . . ?
F6 C6A C5A 114.6(4) . . ?
F5 C6A C5A 112.1(4) . . ?
F4 C6A C5A 113.0(4) . . ?
C7A C7 C8 132.9(4) . . ?
C7A C7 Pt3 70.2(2) . . ?
C8 C7 Pt3 132.4(3) . . ?
C7A C7 Pt4 69.4(2) . . ?
C8 C7 Pt4 128.3(3) . . ?
Pt3 C7 Pt4 97.3(2) . . ?
C7 C7A C8A 133.7(4) . . ?
C7 C7A Pt4 70.4(2) . . ?
C8A C7A Pt4 131.1(3) . . ?
C7 C7A Pt3 69.5(2) . . ?
C8A C7A Pt3 129.1(3) . . ?
Pt4 C7A Pt3 97.38(14) . . ?
F9 C8 F7 107.3(5) . . ?
F9 C8 F8 105.2(5) . . ?
F7 C8 F8 103.4(4) . . ?
F9 C8 C7 113.2(4) . . ?
F7 C8 C7 114.9(4) . . ?
F8 C8 C7 111.8(4) . . ?
F12 C8A F10 106.7(4) . . ?
F12 C8A F11 106.2(4) . . ?
F10 C8A F11 105.1(4) . . ?
F12 C8A C7A 112.8(4) . . ?
F10 C8A C7A 113.0(4) . . ?
F11 C8A C7A 112.4(4) . . ?
C15 C10 C11 118.6(4) . . ?
C15 C10 P1 123.6(3) . . ?
C11 C10 P1 117.7(3) . . ?
C12 C11 C10 120.1(5) . . ?
C11 C12 C13 120.9(5) . . ?
C12 C13 C14 119.1(4) . . ?
C15 C14 C13 119.3(5) . . ?
C14 C15 C10 121.8(4) . . ?
C21 C20 C25 119.6(4) . . ?
C21 C20 P1 118.0(4) . . ?
C25 C20 P1 122.2(4) . . ?
C20 C21 C22 120.5(5) . . ?
C23 C22 C21 119.5(6) . . ?
C24 C23 C22 120.4(6) . . ?
C23 C24 C25 121.0(6) . . ?
C24 C25 C20 118.9(5) . . ?
C31 C30 C35 119.5(4) . . ?
C31 C30 P1 121.6(3) . . ?
C35 C30 P1 118.8(3) . . ?
C32 C31 C30 119.0(4) . . ?
C33 C32 C31 121.4(4) . . ?
C32 C33 C34 120.3(5) . . ?
C33 C34 C35 119.5(4) . . ?
C34 C35 C30 120.2(4) . . ?
C45 C40 C41 118.2(4) . . ?
C45 C40 P2 124.6(4) . . ?
C41 C40 P2 116.8(4) . . ?
C40 C41 C42 119.9(6) . . ?
C43 C42 C41 121.4(7) . . ?
C42 C43 C44 122.0(6) . . ?
C45 C44 C43 115.8(6) . . ?
C40 C45 C44 122.4(6) . . ?
C55 C50 C51 118.1(4) . . ?
C55 C50 P2 118.7(3) . . ?
C51 C50 P2 123.3(3) . . ?
C52 C51 C50 120.9(5) . . ?
C53 C52 C51 119.4(5) . . ?
C52 C53 C54 120.9(5) . . ?
C55 C54 C53 119.5(5) . . ?
C54 C55 C50 121.1(4) . . ?
C61 C60 C65 119.3(5) . . ?
C61 C60 P2 122.0(4) . . ?
C65 C60 P2 118.7(4) . . ?
C60 C61 C62 120.8(7) . . ?
C63 C62 C61 119.8(7) . . ?
C64 C63 C62 119.6(6) . . ?
C63 C64 C65 121.9(6) . . ?
C60 C65 C64 118.4(5) . . ?
C75 C70 C71 118.8(5) . . ?
C75 C70 P3 123.8(4) . . ?
C71 C70 P3 117.3(3) . . ?
C70 C71 C72 119.2(5) . . ?
C72 C73 C74 120.2(7) . . ?
C73 C72 C71 121.0(7) . . ?
C73 C74 C75 119.4(7) . . ?
C70 C75 C74 121.3(6) . . ?
C85 C80 C81 116.5(5) . . ?
C85 C80 P3 125.0(4) . . ?
C81 C80 P3 118.5(4) . . ?
C82 C81 C80 122.9(6) . . ?
C83 C82 C81 118.2(6) . . ?
C82 C83 C84 123.3(7) . . ?
C83 C84 C85 118.8(7) . . ?
C80 C85 C84 120.2(6) . . ?
C95 C90 C91 118.6(4) . . ?
C95 C90 P3 120.1(3) . . ?
C91 C90 P3 121.3(3) . . ?
C92 C91 C90 119.4(5) . . ?
C93 C92 C91 121.6(4) . . ?
C92 C93 C94 119.8(4) . . ?
C93 C94 C95 119.0(4) . . ?
C90 C95 C94 121.6(4) . . ?
C105 C100 C101 120.0(5) . . ?
C105 C100 P4 122.2(4) . . ?
C101 C100 P4 117.8(4) . . ?
C102 C101 C100 119.6(5) . . ?
C103 C102 C101 119.9(6) . . ?
C102 C103 C104 121.4(6) . . ?
C103 C104 C105 121.2(5) . . ?
C104 C105 C100 117.8(5) . . ?
C111 C110 C115 120.7(4) . . ?
C111 C110 P4 117.4(3) . . ?
C115 C110 P4 121.9(3) . . ?
C110 C111 C112 120.1(5) . . ?
C113 C112 C111 118.2(6) . . ?
C114 C113 C112 121.7(5) . . ?
C113 C114 C115 122.2(6) . . ?
C114 C115 C110 116.9(5) . . ?
C121 C120 C125 120.0(4) . . ?
C121 C120 P4 118.4(4) . . ?
C125 C120 P4 121.5(3) . . ?
C120 C121 C122 117.4(6) . . ?
C123 C122 C121 122.1(6) . . ?
C122 C123 C124 120.0(5) . . ?
C123 C124 C125 119.1(6) . . ?
C120 C125 C124 121.2(5) . . ?

_refine_diff_density_max    0.629
_refine_diff_density_min   -0.746
_refine_diff_density_rms    0.093
#===END

data_Compound_three

_database_code_CSD	183075


_audit_creation_method            SHELXL
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C42 H66 F6 O2 P2 Pt2'
_chemical_formula_weight          1169.07
_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'
'F'  'F'   0.0171   0.0103
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Pt'  'Pt'  -1.7033   8.3905
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'P'  'P'   0.1023   0.0942
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    P2(1)/n

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

_cell_length_a                    16.8390(11)
_cell_length_b                    15.3101(10)
_cell_length_c                    18.6194(12)
_cell_angle_alpha                 90.00
_cell_angle_beta                  108.4810(10)
_cell_angle_gamma                 90.00
_cell_volume                      4552.7(5)
_cell_formula_units_Z             4
_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     1.706
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              2296
_exptl_absorpt_coefficient_mu     6.266
_exptl_absorpt_correction_type    integration
_exptl_absorpt_correction_T_min   0.3574
_exptl_absorpt_correction_T_max   0.5294

_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             17087
_diffrn_reflns_av_R_equivalents   0.0212
_diffrn_reflns_av_sigmaI/netI     0.0218
_diffrn_reflns_limit_h_min        -18
_diffrn_reflns_limit_h_max        16
_diffrn_reflns_limit_k_min        -17
_diffrn_reflns_limit_k_max        16
_diffrn_reflns_limit_l_min        -20
_diffrn_reflns_limit_l_max        20
_diffrn_reflns_theta_min          1.42
_diffrn_reflns_theta_max          23.29
_reflns_number_total              6484
_reflns_number_observed           6047
_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        0.00021(2)
_refine_ls_extinction_expression
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'
_refine_ls_number_reflns          6484
_refine_ls_number_parameters      488
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0237
_refine_ls_R_factor_obs           0.0207
_refine_ls_wR_factor_all          0.0436
_refine_ls_wR_factor_obs          0.0426
_refine_ls_goodness_of_fit_all    1.856
_refine_ls_goodness_of_fit_obs    1.887
_refine_ls_restrained_S_all       1.856
_refine_ls_restrained_S_obs       1.887
_refine_ls_shift/esd_max          0.008
_refine_ls_shift/esd_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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.559691(9) 0.912883(8) 0.764201(8) 0.03629(6) Uani 1 d . .
Pt2 Pt 0.528714(9) 1.104166(8) 0.796674(8) 0.03690(6) Uani 1 d . .
P1 P 0.46433(6) 0.80413(6) 0.76949(5) 0.0368(2) Uani 1 d . .
P2 P 0.52975(6) 1.21208(6) 0.70878(6) 0.0396(2) Uani 1 d . .
F1 F 0.6689(2) 0.9224(2) 0.96579(15) 0.0902(9) Uani 1 d . .
F2 F 0.5432(2) 0.9460(2) 0.96028(13) 0.0755(7) Uani 1 d . .
F3 F 0.6301(2) 1.0515(2) 0.98021(14) 0.0952(9) Uani 1 d . .
F4 F 0.76730(15) 0.9707(2) 0.8601(2) 0.0987(10) Uani 1 d . .
F5 F 0.74078(14) 1.0524(2) 0.76390(14) 0.0752(7) Uani 1 d . .
F6 F 0.7486(2) 1.1062(2) 0.8694(2) 0.0946(10) Uani 1 d . .
O5 O 0.5809(2) 0.8593(2) 0.6155(2) 0.1061(14) Uani 1 d . .
O6 O 0.3787(2) 1.1701(2) 0.8355(2) 0.1006(12) Uani 1 d . .
C1 C 0.6296(2) 1.0220(2) 0.8107(2) 0.0366(8) Uani 1 d . .
C2 C 0.5833(2) 0.9945(2) 0.8572(2) 0.0378(9) Uani 1 d . .
C3 C 0.6061(3) 0.9794(3) 0.9391(2) 0.0533(10) Uani 1 d . .
C4 C 0.7198(2) 1.0370(2) 0.8269(2) 0.0480(10) Uani 1 d . .
C5 C 0.5737(3) 0.8794(3) 0.6723(3) 0.0610(12) Uani 1 d . .
C6 C 0.4350(3) 1.1441(2) 0.8206(2) 0.0564(11) Uani 1 d . .
C10 C 0.4235(2) 1.2369(2) 0.6456(2) 0.0456(9) Uani 1 d . .
H10A H 0.3959(2) 1.2625(2) 0.6797(2) 0.055 Uiso 1 calc R .
C11 C 0.3700(2) 1.1591(3) 0.6129(3) 0.0629(12) Uani 1 d . .
H11A H 0.3734(2) 1.1172(3) 0.6529(3) 0.076 Uiso 1 calc R .
H11B H 0.3909(2) 1.1311(3) 0.5757(3) 0.076 Uiso 1 calc R .
C12 C 0.2790(3) 1.1855(3) 0.5757(3) 0.0827(15) Uani 1 d . .
H12A H 0.2475(3) 1.1350(3) 0.5507(3) 0.099 Uiso 1 calc R .
H12B H 0.2558(3) 1.2044(3) 0.6146(3) 0.099 Uiso 1 calc R .
C13 C 0.2686(3) 1.2580(3) 0.5184(3) 0.0840(15) Uani 1 d . .
H13A H 0.2813(3) 1.2355(3) 0.4745(3) 0.101 Uiso 1 calc R .
H13B H 0.2108(3) 1.2771(3) 0.5018(3) 0.101 Uiso 1 calc R .
C14 C 0.3235(3) 1.3338(3) 0.5492(3) 0.0783(14) Uani 1 d . .
H14A H 0.3036(3) 1.3633(3) 0.5863(3) 0.094 Uiso 1 calc R .
H14B H 0.3200(3) 1.3747(3) 0.5085(3) 0.094 Uiso 1 calc R .
C15 C 0.4152(3) 1.3075(3) 0.5864(2) 0.0649(12) Uani 1 d . .
H15A H 0.4379(3) 1.2863(3) 0.5478(2) 0.078 Uiso 1 calc R .
H15B H 0.4473(3) 1.3583(3) 0.6100(2) 0.078 Uiso 1 calc R .
C20 C 0.5991(2) 1.1858(2) 0.6526(2) 0.0498(10) Uani 1 d . .
H20A H 0.6512(2) 1.1656(2) 0.6897(2) 0.060 Uiso 1 calc R .
C21 C 0.5671(3) 1.1076(3) 0.6011(3) 0.0677(13) Uani 1 d . .
H21A H 0.5173(3) 1.1243(3) 0.5603(3) 0.081 Uiso 1 calc R .
H21B H 0.5518(3) 1.0612(3) 0.6297(3) 0.081 Uiso 1 calc R .
C22 C 0.6330(4) 1.0738(3) 0.5676(3) 0.096(2) Uani 1 d . .
H22A H 0.6799(4) 1.0501(3) 0.6078(3) 0.116 Uiso 1 calc R .
H22B H 0.6093(4) 1.0271(3) 0.5321(3) 0.116 Uiso 1 calc R .
C23 C 0.6636(4) 1.1460(4) 0.5274(3) 0.110(2) Uani 1 d . .
H23A H 0.7091(4) 1.1242(4) 0.5109(3) 0.132 Uiso 1 calc R .
H23B H 0.6185(4) 1.1639(4) 0.4829(3) 0.132 Uiso 1 calc R .
C24 C 0.6933(3) 1.2232(4) 0.5783(3) 0.105(2) Uani 1 d . .
H24A H 0.7104(3) 1.2690(4) 0.5503(3) 0.126 Uiso 1 calc R .
H24B H 0.7419(3) 1.2064(4) 0.6203(3) 0.126 Uiso 1 calc R .
C25 C 0.6257(3) 1.2591(3) 0.6095(3) 0.0733(14) Uani 1 d . .
H25A H 0.6477(3) 1.3079(3) 0.6431(3) 0.088 Uiso 1 calc R .
H25B H 0.5779(3) 1.2793(3) 0.5682(3) 0.088 Uiso 1 calc R .
C30 C 0.5689(2) 1.3175(2) 0.7540(2) 0.0477(10) Uani 1 d . .
H30A H 0.5687(2) 1.3589(2) 0.7138(2) 0.057 Uiso 1 calc R .
C31 C 0.6593(2) 1.3094(3) 0.8066(2) 0.0586(11) Uani 1 d . .
H31A H 0.6619(2) 1.2664(3) 0.8455(2) 0.070 Uiso 1 calc R .
H31B H 0.6947(2) 1.2893(3) 0.7777(2) 0.070 Uiso 1 calc R .
C32 C 0.6917(3) 1.3965(3) 0.8435(3) 0.082(2) Uani 1 d . .
H32A H 0.7474(3) 1.3881(3) 0.8789(3) 0.098 Uiso 1 calc R .
H32B H 0.6961(3) 1.4368(3) 0.8047(3) 0.098 Uiso 1 calc R .
C33 C 0.6374(3) 1.4367(3) 0.8846(3) 0.0768(14) Uani 1 d . .
H33A H 0.6583(3) 1.4945(3) 0.9022(3) 0.092 Uiso 1 calc R .
H33B H 0.6397(3) 1.4014(3) 0.9285(3) 0.092 Uiso 1 calc R .
C34 C 0.5471(3) 1.4436(3) 0.8334(3) 0.0796(15) Uani 1 d . .
H34A H 0.5437(3) 1.4858(3) 0.7937(3) 0.096 Uiso 1 calc R .
H34B H 0.5124(3) 1.4643(3) 0.8626(3) 0.096 Uiso 1 calc R .
C35 C 0.5141(3) 1.3556(3) 0.7977(3) 0.0666(12) Uani 1 d . .
H35A H 0.5121(3) 1.3150(3) 0.8371(3) 0.080 Uiso 1 calc R .
H35B H 0.4575(3) 1.3629(3) 0.7636(3) 0.080 Uiso 1 calc R .
C40 C 0.4535(2) 0.7204(2) 0.6953(2) 0.0443(9) Uani 1 d . .
H40A H 0.4450(2) 0.7543(2) 0.6488(2) 0.053 Uiso 1 calc R .
C41 C 0.3792(3) 0.6577(3) 0.6760(3) 0.0675(13) Uani 1 d . .
H41A H 0.3278(3) 0.6905(3) 0.6680(3) 0.081 Uiso 1 calc R .
H41B H 0.3853(3) 0.6179(3) 0.7180(3) 0.081 Uiso 1 calc R .
C42 C 0.3743(3) 0.6050(3) 0.6035(3) 0.0793(15) Uani 1 d . .
H42A H 0.3293(3) 0.5627(3) 0.5940(3) 0.095 Uiso 1 calc R .
H42B H 0.3612(3) 0.6446(3) 0.5606(3) 0.095 Uiso 1 calc R .
C43 C 0.4545(4) 0.5583(3) 0.6100(3) 0.092(2) Uani 1 d . .
H43A H 0.4627(4) 0.5119(3) 0.6471(3) 0.111 Uiso 1 calc R .
H43B H 0.4504(4) 0.5317(3) 0.5616(3) 0.111 Uiso 1 calc R .
C44 C 0.5282(3) 0.6174(3) 0.6326(3) 0.088(2) Uani 1 d . .
H44A H 0.5246(3) 0.6580(3) 0.5917(3) 0.105 Uiso 1 calc R .
H44B H 0.5788(3) 0.5831(3) 0.6410(3) 0.105 Uiso 1 calc R .
C45 C 0.5342(3) 0.6690(3) 0.7044(2) 0.0624(12) Uani 1 d . .
H45A H 0.5811(3) 0.7091(3) 0.7152(2) 0.075 Uiso 1 calc R .
H45B H 0.5442(3) 0.6291(3) 0.7468(2) 0.075 Uiso 1 calc R .
C50 C 0.3572(2) 0.8477(2) 0.7497(2) 0.0429(9) Uani 1 d . .
H50A H 0.3197(2) 0.7981(2) 0.7475(2) 0.051 Uiso 1 calc R .
C51 C 0.3490(3) 0.9100(2) 0.8111(2) 0.0546(11) Uani 1 d . .
H51A H 0.3885(3) 0.9576(2) 0.8169(2) 0.065 Uiso 1 calc R .
H51B H 0.3627(3) 0.8790(2) 0.8589(2) 0.065 Uiso 1 calc R .
C52 C 0.2601(3) 0.9472(3) 0.7915(3) 0.0726(13) Uani 1 d . .
H52A H 0.2214(3) 0.9004(3) 0.7919(3) 0.087 Uiso 1 calc R .
H52B H 0.2582(3) 0.9893(3) 0.8299(3) 0.087 Uiso 1 calc R .
C53 C 0.2324(3) 0.9915(3) 0.7142(3) 0.0724(13) Uani 1 d . .
H53A H 0.1746(3) 1.0103(3) 0.7023(3) 0.087 Uiso 1 calc R .
H53B H 0.2666(3) 1.0428(3) 0.7156(3) 0.087 Uiso 1 calc R .
C54 C 0.2403(3) 0.9300(3) 0.6534(3) 0.0730(13) Uani 1 d . .
H54A H 0.2264(3) 0.9610(3) 0.6056(3) 0.088 Uiso 1 calc R .
H54B H 0.2007(3) 0.8824(3) 0.6477(3) 0.088 Uiso 1 calc R .
C55 C 0.3283(3) 0.8930(3) 0.6725(2) 0.0587(11) Uani 1 d . .
H55A H 0.3668(3) 0.9400(3) 0.6723(2) 0.070 Uiso 1 calc R .
H55B H 0.3300(3) 0.8514(3) 0.6337(2) 0.070 Uiso 1 calc R .
C60 C 0.4893(2) 0.7527(2) 0.8641(2) 0.0406(9) Uani 1 d . .
H60A H 0.4812(2) 0.7991(2) 0.8973(2) 0.049 Uiso 1 calc R .
C61 C 0.5800(2) 0.7259(3) 0.8982(2) 0.0532(11) Uani 1 d . .
H61A H 0.6159(2) 0.7731(3) 0.8926(2) 0.064 Uiso 1 calc R .
H61B H 0.5911(2) 0.6754(3) 0.8713(2) 0.064 Uiso 1 calc R .
C62 C 0.5999(2) 0.7036(3) 0.9821(2) 0.0640(12) Uani 1 d . .
H62A H 0.6578(2) 0.6852(3) 1.0025(2) 0.077 Uiso 1 calc R .
H62B H 0.5926(2) 0.7553(3) 1.0095(2) 0.077 Uiso 1 calc R .
C63 C 0.5431(3) 0.6315(3) 0.9927(2) 0.0667(12) Uani 1 d . .
H63A H 0.5555(3) 0.5778(3) 0.9708(2) 0.080 Uiso 1 calc R .
H63B H 0.5533(3) 0.6217(3) 1.0463(2) 0.080 Uiso 1 calc R .
C64 C 0.4521(3) 0.6553(3) 0.9553(2) 0.0731(14) Uani 1 d . .
H64A H 0.4381(3) 0.7045(3) 0.9819(2) 0.088 Uiso 1 calc R .
H64B H 0.4173(3) 0.6064(3) 0.9596(2) 0.088 Uiso 1 calc R .
C65 C 0.4328(2) 0.6788(3) 0.8725(2) 0.0552(11) Uani 1 d . .
H65A H 0.3747(2) 0.6966(3) 0.8517(2) 0.066 Uiso 1 calc R .
H65B H 0.4412(2) 0.6281(3) 0.8445(2) 0.066 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 0.03647(9) 0.03383(9) 0.03914(10) 0.00066(6) 0.01279(7) -0.00236(6)
Pt2 0.03864(10) 0.03383(9) 0.03956(10) 0.00129(6) 0.01429(7) -0.00033(6)
P1 0.0346(5) 0.0349(5) 0.0404(6) 0.0040(4) 0.0112(5) -0.0011(4)
P2 0.0388(6) 0.0370(5) 0.0422(6) 0.0048(5) 0.0118(5) -0.0002(4)
F1 0.088(2) 0.113(2) 0.055(2) 0.027(2) 0.0023(15) 0.030(2)
F2 0.094(2) 0.090(2) 0.051(2) 0.0071(14) 0.0342(15) -0.017(2)
F3 0.154(3) 0.078(2) 0.043(2) -0.0158(15) 0.017(2) -0.043(2)
F4 0.0437(15) 0.094(2) 0.148(3) 0.053(2) 0.016(2) 0.0183(15)
F5 0.0485(15) 0.112(2) 0.072(2) 0.006(2) 0.0296(14) -0.0037(14)
F6 0.056(2) 0.103(2) 0.119(3) -0.060(2) 0.018(2) -0.0295(15)
O5 0.147(4) 0.113(3) 0.090(3) -0.043(2) 0.083(3) -0.046(3)
O6 0.088(3) 0.095(2) 0.144(4) -0.016(2) 0.072(3) 0.016(2)
C1 0.036(2) 0.033(2) 0.038(2) 0.000(2) 0.009(2) 0.000(2)
C2 0.040(2) 0.036(2) 0.035(2) -0.001(2) 0.008(2) -0.002(2)
C3 0.064(3) 0.051(2) 0.042(3) 0.002(2) 0.012(2) -0.003(2)
C4 0.042(2) 0.044(2) 0.054(3) 0.000(2) 0.010(2) -0.002(2)
C5 0.069(3) 0.052(3) 0.072(3) -0.009(2) 0.037(3) -0.015(2)
C6 0.063(3) 0.047(2) 0.067(3) -0.003(2) 0.033(2) 0.002(2)
C10 0.045(2) 0.045(2) 0.041(2) 0.002(2) 0.006(2) 0.000(2)
C11 0.052(3) 0.055(3) 0.071(3) 0.004(2) 0.005(2) -0.010(2)
C12 0.046(3) 0.103(4) 0.082(4) 0.007(3) -0.004(3) -0.013(3)
C13 0.053(3) 0.105(4) 0.074(4) 0.007(3) -0.008(3) 0.013(3)
C14 0.071(3) 0.080(3) 0.061(3) 0.012(3) -0.012(3) 0.025(3)
C15 0.070(3) 0.051(3) 0.058(3) 0.005(2) -0.002(2) 0.000(2)
C20 0.048(2) 0.055(2) 0.051(3) 0.014(2) 0.023(2) 0.010(2)
C21 0.081(3) 0.079(3) 0.054(3) 0.004(2) 0.038(3) 0.013(3)
C22 0.121(5) 0.114(4) 0.074(4) 0.007(3) 0.060(4) 0.043(4)
C23 0.092(4) 0.188(7) 0.072(4) 0.030(5) 0.057(4) 0.042(5)
C24 0.061(3) 0.177(6) 0.089(4) 0.059(4) 0.042(3) 0.007(4)
C25 0.066(3) 0.091(3) 0.071(3) 0.027(3) 0.033(3) -0.003(3)
C30 0.055(3) 0.035(2) 0.048(3) 0.007(2) 0.010(2) -0.010(2)
C31 0.050(3) 0.064(3) 0.056(3) 0.002(2) 0.008(2) -0.014(2)
C32 0.080(4) 0.087(4) 0.070(4) 0.000(3) 0.012(3) -0.042(3)
C33 0.100(4) 0.058(3) 0.063(3) -0.008(3) 0.012(3) -0.028(3)
C34 0.105(4) 0.049(3) 0.077(4) -0.007(3) 0.017(3) -0.003(3)
C35 0.063(3) 0.051(3) 0.076(3) -0.017(2) 0.009(3) 0.002(2)
C40 0.049(2) 0.042(2) 0.041(2) -0.002(2) 0.012(2) -0.004(2)
C41 0.077(3) 0.057(3) 0.069(3) -0.010(2) 0.024(3) -0.025(2)
C42 0.097(4) 0.064(3) 0.065(3) -0.015(3) 0.011(3) -0.032(3)
C43 0.132(5) 0.057(3) 0.078(4) -0.019(3) 0.021(4) 0.017(3)
C44 0.083(4) 0.082(3) 0.095(4) -0.036(3) 0.025(3) 0.013(3)
C45 0.074(3) 0.047(2) 0.065(3) -0.006(2) 0.020(3) 0.010(2)
C50 0.035(2) 0.045(2) 0.049(2) 0.004(2) 0.014(2) 0.001(2)
C51 0.050(3) 0.065(3) 0.051(3) 0.004(2) 0.020(2) 0.012(2)
C52 0.055(3) 0.088(3) 0.080(4) 0.002(3) 0.027(3) 0.022(3)
C53 0.052(3) 0.080(3) 0.084(4) 0.008(3) 0.020(3) 0.025(2)
C54 0.055(3) 0.087(3) 0.065(3) 0.011(3) 0.002(2) 0.021(3)
C55 0.056(3) 0.069(3) 0.048(3) 0.007(2) 0.012(2) 0.018(2)
C60 0.037(2) 0.044(2) 0.039(2) 0.009(2) 0.010(2) 0.003(2)
C61 0.039(2) 0.061(3) 0.058(3) 0.018(2) 0.014(2) -0.002(2)
C62 0.048(3) 0.082(3) 0.055(3) 0.022(2) 0.005(2) 0.004(2)
C63 0.061(3) 0.078(3) 0.058(3) 0.032(2) 0.014(2) 0.001(3)
C64 0.059(3) 0.094(3) 0.070(3) 0.032(3) 0.027(3) -0.008(3)
C65 0.042(2) 0.063(3) 0.059(3) 0.018(2) 0.014(2) -0.008(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 C5 1.872(5) . ?
Pt1 C1 2.068(3) . ?
Pt1 C2 2.069(3) . ?
Pt1 P1 2.3368(9) . ?
Pt1 Pt2 3.0682(3) . ?
Pt2 C6 1.873(4) . ?
Pt2 C1 2.063(3) . ?
Pt2 C2 2.069(3) . ?
Pt2 P2 2.3294(9) . ?
P1 C50 1.848(3) . ?
P1 C40 1.850(3) . ?
P1 C60 1.852(3) . ?
P2 C20 1.842(3) . ?
P2 C30 1.842(4) . ?
P2 C10 1.843(4) . ?
F1 C3 1.340(4) . ?
F2 C3 1.343(4) . ?
F3 C3 1.330(4) . ?
F4 C4 1.318(4) . ?
F5 C4 1.348(4) . ?
F6 C4 1.319(4) . ?
O5 C5 1.143(5) . ?
O6 C6 1.140(4) . ?
C1 C2 1.401(4) . ?
C1 C4 1.471(5) . ?
C2 C3 1.468(5) . ?
C10 C11 1.502(5) . ?
C10 C15 1.518(5) . ?
C11 C12 1.523(5) . ?
C12 C13 1.510(6) . ?
C13 C14 1.482(6) . ?
C14 C15 1.531(5) . ?
C20 C21 1.522(5) . ?
C20 C25 1.527(5) . ?
C21 C22 1.525(6) . ?
C22 C23 1.513(6) . ?
C23 C24 1.498(7) . ?
C24 C25 1.534(6) . ?
C30 C35 1.527(5) . ?
C30 C31 1.531(5) . ?
C31 C32 1.520(5) . ?
C32 C33 1.499(6) . ?
C33 C34 1.521(7) . ?
C34 C35 1.528(5) . ?
C40 C41 1.526(5) . ?
C40 C45 1.533(5) . ?
C41 C42 1.553(6) . ?
C42 C43 1.499(6) . ?
C43 C44 1.485(6) . ?
C44 C45 1.528(6) . ?
C50 C51 1.528(5) . ?
C50 C55 1.529(5) . ?
C51 C52 1.534(5) . ?
C52 C53 1.524(6) . ?
C53 C54 1.510(6) . ?
C54 C55 1.520(5) . ?
C60 C61 1.512(5) . ?
C60 C65 1.518(4) . ?
C61 C62 1.528(5) . ?
C62 C63 1.515(5) . ?
C63 C64 1.512(5) . ?
C64 C65 1.515(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
C5 Pt1 C1 112.58(15) . . ?
C5 Pt1 C2 152.16(15) . . ?
C1 Pt1 C2 39.59(12) . . ?
C5 Pt1 P1 97.52(12) . . ?
C1 Pt1 P1 149.90(9) . . ?
C2 Pt1 P1 110.30(9) . . ?
C5 Pt1 Pt2 121.36(12) . . ?
C1 Pt1 Pt2 41.97(9) . . ?
C2 Pt1 Pt2 42.14(9) . . ?
P1 Pt1 Pt2 120.65(2) . . ?
C6 Pt2 C1 153.0(2) . . ?
C6 Pt2 C2 113.42(15) . . ?
C1 Pt2 C2 39.65(12) . . ?
C6 Pt2 P2 97.48(12) . . ?
C1 Pt2 P2 109.42(9) . . ?
C2 Pt2 P2 149.07(9) . . ?
C6 Pt2 Pt1 124.56(12) . . ?
C1 Pt2 Pt1 42.09(9) . . ?
C2 Pt2 Pt1 42.15(9) . . ?
P2 Pt2 Pt1 119.93(2) . . ?
C50 P1 C40 104.0(2) . . ?
C50 P1 C60 104.9(2) . . ?
C40 P1 C60 110.7(2) . . ?
C50 P1 Pt1 112.03(12) . . ?
C40 P1 Pt1 111.64(11) . . ?
C60 P1 Pt1 113.02(11) . . ?
C20 P2 C30 104.6(2) . . ?
C20 P2 C10 110.1(2) . . ?
C30 P2 C10 104.2(2) . . ?
C20 P2 Pt2 113.02(12) . . ?
C30 P2 Pt2 112.43(12) . . ?
C10 P2 Pt2 111.91(12) . . ?
C2 C1 C4 131.4(3) . . ?
C2 C1 Pt2 70.4(2) . . ?
C4 C1 Pt2 133.3(3) . . ?
C2 C1 Pt1 70.3(2) . . ?
C4 C1 Pt1 128.8(2) . . ?
Pt2 C1 Pt1 95.94(14) . . ?
C1 C2 C3 132.5(3) . . ?
C1 C2 Pt2 69.9(2) . . ?
C3 C2 Pt2 128.2(3) . . ?
C1 C2 Pt1 70.2(2) . . ?
C3 C2 Pt1 133.8(3) . . ?
Pt2 C2 Pt1 95.71(14) . . ?
F3 C3 F1 105.5(4) . . ?
F3 C3 F2 105.8(3) . . ?
F1 C3 F2 104.3(3) . . ?
F3 C3 C2 113.5(3) . . ?
F1 C3 C2 113.8(3) . . ?
F2 C3 C2 113.2(3) . . ?
F4 C4 F6 106.5(3) . . ?
F4 C4 F5 104.8(3) . . ?
F6 C4 F5 103.5(3) . . ?
F4 C4 C1 114.2(3) . . ?
F6 C4 C1 114.1(3) . . ?
F5 C4 C1 112.8(3) . . ?
O5 C5 Pt1 178.8(5) . . ?
O6 C6 Pt2 178.6(4) . . ?
C11 C10 C15 111.4(3) . . ?
C11 C10 P2 115.5(3) . . ?
C15 C10 P2 117.3(3) . . ?
C10 C11 C12 111.1(3) . . ?
C13 C12 C11 113.1(4) . . ?
C14 C13 C12 112.6(4) . . ?
C13 C14 C15 112.6(4) . . ?
C10 C15 C14 111.3(4) . . ?
C21 C20 C25 110.5(3) . . ?
C21 C20 P2 111.6(3) . . ?
C25 C20 P2 118.8(3) . . ?
C20 C21 C22 111.5(4) . . ?
C23 C22 C21 111.1(4) . . ?
C24 C23 C22 111.2(4) . . ?
C23 C24 C25 112.4(4) . . ?
C20 C25 C24 108.2(4) . . ?
C35 C30 C31 109.7(3) . . ?
C35 C30 P2 112.9(3) . . ?
C31 C30 P2 111.1(3) . . ?
C32 C31 C30 111.1(4) . . ?
C33 C32 C31 113.7(4) . . ?
C32 C33 C34 111.0(4) . . ?
C33 C34 C35 111.5(4) . . ?
C30 C35 C34 111.7(3) . . ?
C41 C40 C45 109.6(3) . . ?
C41 C40 P1 119.4(3) . . ?
C45 C40 P1 113.5(3) . . ?
C40 C41 C42 110.1(3) . . ?
C43 C42 C41 112.3(4) . . ?
C44 C43 C42 112.5(4) . . ?
C43 C44 C45 112.4(4) . . ?
C44 C45 C40 111.0(4) . . ?
C51 C50 C55 110.0(3) . . ?
C51 C50 P1 113.0(3) . . ?
C55 C50 P1 110.5(2) . . ?
C50 C51 C52 111.6(4) . . ?
C53 C52 C51 111.9(3) . . ?
C54 C53 C52 111.0(4) . . ?
C53 C54 C55 111.6(4) . . ?
C54 C55 C50 112.7(3) . . ?
C61 C60 C65 109.7(3) . . ?
C61 C60 P1 114.2(2) . . ?
C65 C60 P1 117.0(3) . . ?
C60 C61 C62 110.8(3) . . ?
C63 C62 C61 110.6(3) . . ?
C64 C63 C62 110.7(3) . . ?
C63 C64 C65 112.6(3) . . ?
C64 C65 C60 110.0(3) . . ?

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
Pt1 C2 C1 C4 -124.8(4) . . . . ?
Pt2 C1 C2 C3 -123.9(4) . . . . ?
C3 C2 C1 C4 7.1(7) . . . . ?
P1 Pt1 C2 C3 49.6(4) . . . . ?
P1 Pt1 C1 C4 128.0(3) . . . . ?
P2 Pt2 C2 C3 128.8(3) . . . . ?
P2 Pt2 C1 C4 50.9(4) . . . . ?

_refine_diff_density_max    0.540
_refine_diff_density_min   -0.383
_refine_diff_density_rms    0.070
#===END

data_Compound_six

_database_code_CSD	183076


_audit_creation_method            SHELXL
_chemical_name_systematic
;
?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C48 H34 F12 O2 P2 Pt2'
_chemical_formula_weight          1322.87
_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'
'F'  'F'   0.0171   0.0103
'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'
'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    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                    13.001(3)
_cell_length_b                    13.740(3)
_cell_length_c                    26.580(5)
_cell_angle_alpha                 90.00
_cell_angle_beta                  104.03(3)
_cell_angle_gamma                 90.00
_cell_volume                      4606.2(16)
_cell_formula_units_Z             4
_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     1.908
_exptl_crystal_density_method     ?
_exptl_crystal_F_000              2528
_exptl_absorpt_coefficient_mu     6.224
_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             35396
_diffrn_reflns_av_R_equivalents   0.0298
_diffrn_reflns_av_sigmaI/netI     0.0223
_diffrn_reflns_limit_h_min        -17
_diffrn_reflns_limit_h_max        17
_diffrn_reflns_limit_k_min        -18
_diffrn_reflns_limit_k_max        17
_diffrn_reflns_limit_l_min        -32
_diffrn_reflns_limit_l_max        32
_diffrn_reflns_theta_min          2.46
_diffrn_reflns_theta_max          28.06
_reflns_number_total              10541
_reflns_number_observed           8320
_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 8 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          10533
_refine_ls_number_parameters      646
_refine_ls_number_restraints      42
_refine_ls_R_factor_all           0.0416
_refine_ls_R_factor_obs           0.0270
_refine_ls_wR_factor_all          0.0411
_refine_ls_wR_factor_obs          0.0402
_refine_ls_goodness_of_fit_all    2.420
_refine_ls_goodness_of_fit_obs    2.687
_refine_ls_restrained_S_all       2.416
_refine_ls_restrained_S_obs       2.680
_refine_ls_shift/esd_max          -0.473
_refine_ls_shift/esd_mean         0.021

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 1.163499(9) 0.215054(11) 0.059507(5) 0.03224(4) Uani 1 d . .
Pt2 Pt 1.226112(9) 0.210691(11) 0.184265(5) 0.03445(4) Uani 1 d . .
P1 P 1.29160(7) 0.27630(8) 0.01950(4) 0.0367(2) Uani 1 d . .
P2 P 1.15556(7) 0.33713(7) 0.22411(4) 0.0351(2) Uani 1 d . .
F1 F 1.2654(2) 0.0450(2) 0.01143(10) 0.0784(9) Uani 1 d . .
F2 F 1.3923(2) 0.0039(2) 0.07360(11) 0.0710(7) Uani 1 d . .
F3 F 1.2413(3) -0.0623(2) 0.06393(13) 0.0879(10) Uani 1 d . .
F4 F 1.4423(4) 0.0434(8) 0.1965(6) 0.155(8) Uani 0.51(2) d PD .
F4E F 1.3113(12) -0.0683(4) 0.1705(6) 0.198(10) Uani 0.49(2) d PD .
F5 F 1.3087(12) 0.0089(8) 0.2214(3) 0.154(8) Uani 0.51(2) d PD .
F5E F 1.4416(4) 0.0146(14) 0.1781(5) 0.159(9) Uani 0.49(2) d PD .
F6 F 1.3430(9) -0.0656(4) 0.1603(5) 0.086(4) Uani 0.51(2) d PD .
F6E F 1.3517(11) 0.0263(9) 0.2296(2) 0.085(4) Uani 0.49(2) d PD .
F7 F 0.9607(4) 0.0916(6) 0.0167(2) 0.095(2) Uani 0.80(2) d PD .
F7E F 0.8727(13) 0.0942(13) 0.0808(9) 0.066(6) Uani 0.20(2) d PD .
F8 F 0.8953(5) 0.0619(5) 0.0799(3) 0.075(2) Uani 0.80(2) d PD .
F8E F 0.9018(15) 0.1906(14) 0.0255(7) 0.102(12) Uani 0.20(2) d PD .
F9 F 0.8849(4) 0.2026(4) 0.0483(3) 0.085(2) Uani 0.80(2) d PD .
F9E F 0.9727(17) 0.0539(10) 0.0340(8) 0.076(6) Uiso 0.20(2) d PD .
F10 F 1.0478(2) 0.1315(2) 0.23070(10) 0.0717(7) Uani 1 d . .
F11 F 0.9110(2) 0.1526(2) 0.16968(11) 0.0660(7) Uani 1 d . .
F12 F 0.9983(2) 0.0183(2) 0.17476(11) 0.0672(7) Uani 1 d . .
O5 O 1.0028(3) 0.3668(2) 0.00712(14) 0.0742(10) Uani 1 d . .
O6 O 1.4551(2) 0.2648(3) 0.23403(15) 0.0871(12) Uani 1 d . .
C1B C 1.2572(3) 0.0993(3) 0.09575(15) 0.0389(8) Uani 1 d . .
C1A C 1.0519(3) 0.1580(2) 0.09613(15) 0.0356(8) Uani 1 d . .
C2B C 1.2805(3) 0.0961(3) 0.14624(15) 0.0406(8) Uani 1 d . .
C2A C 1.0780(3) 0.1569(2) 0.14717(15) 0.0358(8) Uani 1 d . .
C3B C 1.3444(3) 0.0192(3) 0.18070(14) 0.0609(12) Uani 1 d D .
C3A C 1.0087(3) 0.1158(3) 0.1796(2) 0.0496(10) Uani 1 d . .
C4B C 1.2888(3) 0.0226(3) 0.0625(2) 0.0456(9) Uani 1 d . .
C4A C 0.9496(3) 0.1277(2) 0.06103(12) 0.0499(10) Uani 1 d D .
C5 C 1.0624(3) 0.3124(3) 0.0258(2) 0.0464(10) Uani 1 d . .
C6 C 1.3694(3) 0.2474(3) 0.2161(2) 0.0506(11) Uani 1 d . .
C20 C 1.1482(3) 0.2502(3) -0.07658(15) 0.0442(10) Uani 1 d . .
C21 C 1.0794(3) 0.1770(3) -0.0765(2) 0.0529(11) Uani 1 d . .
H21A H 1.1037(3) 0.1205(3) -0.0582(2) 0.063 Uiso 1 calc R .
C22 C 0.9729(4) 0.1828(4) -0.1031(2) 0.0731(15) Uani 1 d . .
H22A H 0.9273(4) 0.1305(4) -0.1035(2) 0.088 Uiso 1 calc R .
C23 C 0.9372(4) 0.2687(4) -0.1288(2) 0.0744(15) Uani 1 d . .
H23A H 0.8664(4) 0.2749(4) -0.1464(2) 0.089 Uiso 1 calc R .
C24 C 1.0056(4) 0.3441(4) -0.1282(2) 0.0737(15) Uani 1 d . .
H24A H 0.9810(4) 0.4016(4) -0.1453(2) 0.088 Uiso 1 calc R .
C25 C 1.1101(4) 0.3362(3) -0.1026(2) 0.0567(11) Uani 1 d . .
H25A H 1.1559(4) 0.3882(3) -0.1026(2) 0.068 Uiso 1 calc R .
C27 C 1.2642(3) 0.2401(3) -0.0483(2) 0.0460(10) Uani 1 d . .
H27A H 1.3067(3) 0.2796(3) -0.0657(2) 0.055 Uiso 1 calc R .
H27B H 1.2855(3) 0.1728(3) -0.0502(2) 0.055 Uiso 1 calc R .
C30 C 1.2988(3) 0.4100(3) 0.0186(2) 0.0430(9) Uani 1 d . .
C31 C 1.3548(3) 0.4563(3) -0.0128(2) 0.0550(11) Uani 1 d . .
H31A H 1.3895(3) 0.4203(3) -0.0333(2) 0.066 Uiso 1 calc R .
C32 C 1.3582(4) 0.5572(4) -0.0132(2) 0.0721(15) Uani 1 d . .
H32A H 1.3964(4) 0.5884(4) -0.0338(2) 0.087 Uiso 1 calc R .
C33 C 1.3070(4) 0.6112(4) 0.0158(2) 0.0746(15) Uani 1 d . .
H33A H 1.3084(4) 0.6787(4) 0.0140(2) 0.089 Uiso 1 calc R .
C34 C 1.2536(4) 0.5665(4) 0.0476(2) 0.078(2) Uani 1 d . .
H34A H 1.2198(4) 0.6032(4) 0.0681(2) 0.094 Uiso 1 calc R .
C35 C 1.2503(3) 0.4657(3) 0.0489(2) 0.0560(11) Uani 1 d . .
H35A H 1.2143(3) 0.4352(3) 0.0708(2) 0.067 Uiso 1 calc R .
C40 C 1.4287(3) 0.2416(3) 0.0476(2) 0.0470(10) Uani 1 d . .
C41 C 1.4916(3) 0.1931(3) 0.0211(2) 0.0598(12) Uani 1 d . .
H41A H 1.4651(3) 0.1779(3) -0.0137(2) 0.072 Uiso 1 calc R .
C42 C 1.5949(4) 0.1663(4) 0.0461(2) 0.076(2) Uani 1 d . .
H42A H 1.6366(4) 0.1317(4) 0.0284(2) 0.091 Uiso 1 calc R .
C43 C 1.6339(4) 0.1911(5) 0.0966(3) 0.085(2) Uani 1 d . .
H43A H 1.7031(4) 0.1742(5) 0.1133(3) 0.102 Uiso 1 calc R .
C44 C 1.5740(4) 0.2397(5) 0.1227(2) 0.086(2) Uani 1 d . .
H44A H 1.6022(4) 0.2565(5) 0.1572(2) 0.103 Uiso 1 calc R .
C45 C 1.4713(3) 0.2650(4) 0.0991(2) 0.0644(13) Uani 1 d . .
H45A H 1.4303(3) 0.2980(4) 0.1178(2) 0.077 Uiso 1 calc R .
C50 C 1.2776(3) 0.2778(3) 0.32059(13) 0.0437(9) Uani 1 d . .
C51 C 1.3578(3) 0.3432(4) 0.3433(2) 0.0607(12) Uani 1 d . .
H51A H 1.3452(3) 0.4098(4) 0.3416(2) 0.073 Uiso 1 calc R .
C52 C 1.4564(4) 0.3070(4) 0.3683(2) 0.0715(15) Uani 1 d . .
H52A H 1.5099(4) 0.3504(4) 0.3835(2) 0.086 Uiso 1 calc R .
C53 C 1.4772(4) 0.2101(5) 0.3713(2) 0.0745(14) Uani 1 d . .
H53A H 1.5438(4) 0.1875(5) 0.3887(2) 0.089 Uiso 1 calc R .
C54 C 1.3988(4) 0.1458(4) 0.3486(2) 0.0696(14) Uani 1 d . .
H54A H 1.4114(4) 0.0791(4) 0.3505(2) 0.084 Uiso 1 calc R .
C55 C 1.2984(3) 0.1826(3) 0.3220(2) 0.0502(11) Uani 1 d . .
H55A H 1.2460(3) 0.1396(3) 0.3053(2) 0.060 Uiso 1 calc R .
C57 C 1.1677(3) 0.3137(3) 0.29318(15) 0.0446(9) Uani 1 d . .
H57A H 1.1525(3) 0.3732(3) 0.30969(15) 0.053 Uiso 1 calc R .
H57B H 1.1156(3) 0.2654(3) 0.29685(15) 0.053 Uiso 1 calc R .
C60 C 1.2203(3) 0.4547(3) 0.22200(15) 0.0394(8) Uani 1 d . .
C61 C 1.2918(4) 0.4681(3) 0.1916(2) 0.0641(13) Uani 1 d . .
H61A H 1.3068(4) 0.4175(3) 0.1713(2) 0.077 Uiso 1 calc R .
C62 C 1.3405(4) 0.5572(4) 0.1918(3) 0.086(2) Uani 1 d . .
H62A H 1.3913(4) 0.5653(4) 0.1728(3) 0.103 Uiso 1 calc R .
C63 C 1.3157(4) 0.6337(4) 0.2191(2) 0.077(2) Uani 1 d . .
H63A H 1.3483(4) 0.6936(4) 0.2181(2) 0.092 Uiso 1 calc R .
C64 C 1.2449(4) 0.6230(3) 0.2474(2) 0.0695(14) Uani 1 d . .
H64A H 1.2275(4) 0.6756(3) 0.2657(2) 0.083 Uiso 1 calc R .
C65 C 1.1962(4) 0.5317(3) 0.2494(2) 0.0597(12) Uani 1 d . .
H65A H 1.1474(4) 0.5241(3) 0.2696(2) 0.072 Uiso 1 calc R .
C70 C 1.0169(3) 0.3665(3) 0.19759(15) 0.0395(8) Uani 1 d . .
C71 C 0.9430(3) 0.3704(3) 0.2272(2) 0.0503(10) Uani 1 d . .
H71A H 0.9631(3) 0.3574(3) 0.2626(2) 0.060 Uiso 1 calc R .
C72 C 0.8382(3) 0.3941(3) 0.2037(2) 0.0645(13) Uani 1 d . .
H72A H 0.7887(3) 0.3994(3) 0.2236(2) 0.077 Uiso 1 calc R .
C73 C 0.8074(4) 0.4098(3) 0.1506(2) 0.075(2) Uani 1 d . .
H73A H 0.7371(4) 0.4241(3) 0.1347(2) 0.089 Uiso 1 calc R .
C74 C 0.8807(4) 0.4041(3) 0.1219(2) 0.0633(12) Uani 1 d . .
H74A H 0.8601(4) 0.4141(3) 0.0863(2) 0.076 Uiso 1 calc R .
C75 C 0.9846(3) 0.3839(3) 0.1450(2) 0.0489(10) Uani 1 d . .
H75A H 1.0340(3) 0.3819(3) 0.1249(2) 0.059 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 0.03059(7) 0.03826(7) 0.02819(8) -0.00007(6) 0.00778(5) 0.00260(6)
Pt2 0.03246(7) 0.04319(8) 0.02821(8) -0.00037(6) 0.00832(5) 0.00537(6)
P1 0.0342(4) 0.0491(5) 0.0283(5) 0.0015(4) 0.0104(3) 0.0001(4)
P2 0.0352(4) 0.0424(5) 0.0289(5) -0.0034(4) 0.0101(4) 0.0024(4)
F1 0.117(2) 0.076(2) 0.037(2) -0.0096(13) 0.0089(14) 0.036(2)
F2 0.0576(15) 0.081(2) 0.078(2) -0.0099(14) 0.0238(13) 0.0269(14)
F3 0.124(3) 0.052(2) 0.102(3) -0.024(2) 0.054(2) -0.016(2)
F4 0.080(8) 0.098(6) 0.223(17) 0.033(8) -0.085(10) 0.008(6)
F4E 0.309(20) 0.057(7) 0.141(14) 0.033(7) -0.115(13) -0.016(8)
F5 0.207(14) 0.177(13) 0.115(10) 0.115(10) 0.111(10) 0.124(10)
F5E 0.102(10) 0.275(21) 0.125(9) 0.100(10) 0.075(8) 0.130(12)
F6 0.142(8) 0.059(6) 0.073(6) 0.010(4) 0.055(6) 0.055(5)
F6E 0.134(9) 0.088(6) 0.031(4) 0.003(4) 0.015(4) 0.073(5)
F7 0.075(3) 0.156(5) 0.054(3) -0.052(3) 0.013(2) -0.042(3)
F7E 0.032(7) 0.118(17) 0.055(11) -0.006(11) 0.023(7) -0.006(9)
F8 0.069(3) 0.067(3) 0.081(4) 0.003(2) 0.004(3) -0.037(3)
F8E 0.112(19) 0.103(18) 0.058(14) 0.050(13) -0.046(11) -0.067(15)
F9 0.043(2) 0.073(3) 0.118(5) 0.011(3) -0.022(3) 0.004(2)
F10 0.078(2) 0.094(2) 0.048(2) 0.0042(14) 0.0256(13) -0.0239(15)
F11 0.0458(13) 0.073(2) 0.090(2) 0.0114(14) 0.0380(13) 0.0051(12)
F12 0.089(2) 0.0460(14) 0.075(2) 0.0087(12) 0.0351(15) -0.0113(13)
O5 0.062(2) 0.083(2) 0.075(2) 0.026(2) 0.012(2) 0.031(2)
O6 0.0277(14) 0.132(3) 0.093(3) -0.021(2) -0.001(2) -0.003(2)
C1B 0.036(2) 0.044(2) 0.036(2) 0.003(2) 0.0074(15) 0.010(2)
C1A 0.035(2) 0.032(2) 0.043(2) -0.0015(15) 0.015(2) -0.0022(14)
C2B 0.049(2) 0.040(2) 0.036(2) 0.001(2) 0.017(2) 0.011(2)
C2A 0.033(2) 0.033(2) 0.042(2) 0.0028(15) 0.0120(15) -0.0013(14)
C3B 0.069(3) 0.066(3) 0.047(3) 0.008(2) 0.012(2) 0.025(3)
C3A 0.059(3) 0.047(2) 0.046(3) 0.003(2) 0.020(2) -0.007(2)
C4B 0.057(2) 0.044(2) 0.039(3) 0.000(2) 0.016(2) 0.010(2)
C4A 0.040(2) 0.053(2) 0.056(3) -0.011(2) 0.009(2) -0.011(2)
C5 0.039(2) 0.062(3) 0.040(2) 0.000(2) 0.014(2) 0.001(2)
C6 0.054(2) 0.066(3) 0.034(2) -0.005(2) 0.015(2) 0.015(2)
C20 0.060(2) 0.051(2) 0.020(2) -0.0074(15) 0.006(2) 0.007(2)
C21 0.057(2) 0.064(3) 0.036(3) 0.005(2) 0.007(2) 0.002(2)
C22 0.055(3) 0.091(4) 0.067(4) -0.009(3) 0.003(2) -0.021(3)
C23 0.057(3) 0.096(4) 0.061(3) -0.010(3) -0.005(2) 0.011(3)
C24 0.090(4) 0.062(3) 0.059(3) 0.014(2) -0.002(3) 0.013(3)
C25 0.062(3) 0.054(3) 0.052(3) 0.007(2) 0.009(2) -0.001(2)
C27 0.044(2) 0.055(2) 0.042(3) 0.000(2) 0.015(2) 0.005(2)
C30 0.033(2) 0.053(2) 0.040(2) 0.008(2) 0.003(2) -0.003(2)
C31 0.049(2) 0.066(3) 0.050(3) 0.006(2) 0.011(2) -0.005(2)
C32 0.070(3) 0.070(3) 0.069(4) 0.022(3) 0.001(3) -0.027(3)
C33 0.078(3) 0.060(3) 0.074(4) 0.006(3) -0.005(3) -0.013(3)
C34 0.069(3) 0.074(3) 0.085(4) -0.024(3) 0.006(3) 0.003(3)
C35 0.059(3) 0.045(2) 0.067(3) -0.005(2) 0.020(2) -0.010(2)
C40 0.036(2) 0.062(3) 0.043(3) 0.013(2) 0.010(2) -0.006(2)
C41 0.045(2) 0.076(3) 0.058(3) -0.002(2) 0.011(2) 0.016(2)
C42 0.049(3) 0.088(4) 0.098(5) 0.006(3) 0.030(3) 0.019(2)
C43 0.043(2) 0.124(5) 0.084(4) 0.020(4) 0.007(3) 0.010(3)
C44 0.053(3) 0.139(5) 0.059(4) 0.009(3) -0.002(2) 0.009(3)
C45 0.047(2) 0.099(4) 0.044(3) -0.003(2) 0.007(2) 0.010(2)
C50 0.047(2) 0.068(3) 0.019(2) 0.002(2) 0.0125(14) -0.006(2)
C51 0.063(3) 0.074(3) 0.043(3) -0.004(2) 0.008(2) -0.018(2)
C52 0.062(3) 0.109(4) 0.041(3) 0.000(3) 0.008(2) -0.028(3)
C53 0.048(2) 0.123(5) 0.051(3) 0.006(3) 0.009(2) 0.004(3)
C54 0.061(3) 0.097(4) 0.049(3) 0.009(3) 0.010(2) 0.028(3)
C55 0.048(2) 0.070(3) 0.036(3) -0.008(2) 0.015(2) -0.001(2)
C57 0.046(2) 0.056(2) 0.035(2) -0.005(2) 0.016(2) 0.005(2)
C60 0.033(2) 0.051(2) 0.035(2) 0.000(2) 0.0102(15) 0.001(2)
C61 0.066(3) 0.056(3) 0.080(4) 0.003(2) 0.037(3) -0.010(2)
C62 0.069(3) 0.089(4) 0.114(5) 0.020(4) 0.048(3) -0.008(3)
C63 0.062(3) 0.062(3) 0.099(5) 0.004(3) 0.007(3) -0.026(3)
C64 0.082(3) 0.052(3) 0.074(4) -0.012(2) 0.017(3) -0.011(2)
C65 0.074(3) 0.054(3) 0.058(3) -0.011(2) 0.029(2) -0.008(2)
C70 0.041(2) 0.037(2) 0.039(2) -0.004(2) 0.007(2) -0.001(2)
C71 0.041(2) 0.054(2) 0.056(3) -0.008(2) 0.013(2) 0.003(2)
C72 0.037(2) 0.068(3) 0.092(4) -0.011(3) 0.022(2) -0.003(2)
C73 0.045(3) 0.065(3) 0.102(5) -0.010(3) -0.004(3) 0.005(2)
C74 0.057(3) 0.064(3) 0.060(3) 0.003(2) -0.004(2) 0.010(2)
C75 0.047(2) 0.049(2) 0.050(3) 0.002(2) 0.010(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
Pt1 C5 1.936(4) . ?
Pt1 C1A 2.086(3) . ?
Pt1 C1B 2.092(3) . ?
Pt1 P1 2.3390(10) . ?
Pt1 Pt2 3.2177(8) . ?
Pt2 C6 1.917(4) . ?
Pt2 C2A 2.075(3) . ?
Pt2 C2B 2.085(4) . ?
Pt2 P2 2.3349(10) . ?
P1 C27 1.818(4) . ?
P1 C40 1.821(4) . ?
P1 C30 1.840(4) . ?
P2 C70 1.814(4) . ?
P2 C60 1.828(4) . ?
P2 C57 1.833(4) . ?
F1 C4B 1.352(5) . ?
F2 C4B 1.331(5) . ?
F3 C4B 1.325(5) . ?
F4 F5E 0.63(2) . ?
F4 C3B 1.284(3) . ?
F4 F6E 1.648(12) . ?
F4E F6 0.55(2) . ?
F4E C3B 1.284(3) . ?
F4E F5 1.726(12) . ?
F5 F6E 0.60(2) . ?
F5 C3B 1.284(3) . ?
F5E C3B 1.284(3) . ?
F5E F6 1.669(13) . ?
F6 C3B 1.284(3) . ?
F6E C3B 1.284(3) . ?
F7 F9E 0.68(2) . ?
F7 C4A 1.319(3) . ?
F7 F8E 1.61(2) . ?
F7E F8 0.54(2) . ?
F7E C4A 1.319(3) . ?
F7E F9 1.748(13) . ?
F8 C4A 1.319(3) . ?
F8 F9E 1.764(13) . ?
F8E F9 0.71(2) . ?
F8E C4A 1.319(3) . ?
F9 C4A 1.320(3) . ?
F9E C4A 1.319(3) . ?
F10 C3A 1.347(5) . ?
F11 C3A 1.333(5) . ?
F12 C3A 1.350(4) . ?
O5 C5 1.104(4) . ?
O6 C6 1.126(5) . ?
C1B C2B 1.303(5) . ?
C1B C4B 1.495(5) . ?
C1A C2A 1.316(5) . ?
C1A C4A 1.487(5) . ?
C2B C3B 1.509(5) . ?
C2A C3A 1.500(5) . ?
C20 C21 1.347(5) . ?
C20 C25 1.398(5) . ?
C20 C27 1.519(5) . ?
C21 C22 1.395(6) . ?
C22 C23 1.386(7) . ?
C23 C24 1.363(7) . ?
C24 C25 1.367(6) . ?
C30 C35 1.370(6) . ?
C30 C31 1.389(6) . ?
C31 C32 1.386(6) . ?
C32 C33 1.354(8) . ?
C33 C34 1.362(8) . ?
C34 C35 1.387(7) . ?
C40 C41 1.375(6) . ?
C40 C45 1.385(6) . ?
C41 C42 1.396(6) . ?
C42 C43 1.358(8) . ?
C43 C44 1.340(8) . ?
C44 C45 1.375(6) . ?
C50 C55 1.334(6) . ?
C50 C51 1.397(5) . ?
C50 C57 1.520(5) . ?
C51 C52 1.385(7) . ?
C52 C53 1.357(7) . ?
C53 C54 1.373(7) . ?
C54 C55 1.418(6) . ?
C60 C65 1.364(5) . ?
C60 C61 1.383(6) . ?
C61 C62 1.378(6) . ?
C62 C63 1.360(8) . ?
C63 C64 1.328(7) . ?
C64 C65 1.412(6) . ?
C70 C75 1.380(5) . ?
C70 C71 1.384(5) . ?
C71 C72 1.393(5) . ?
C72 C73 1.387(7) . ?
C73 C74 1.358(7) . ?
C74 C75 1.369(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
C5 Pt1 C1A 90.28(15) . . ?
C5 Pt1 C1B 173.23(14) . . ?
C1A Pt1 C1B 83.84(14) . . ?
C5 Pt1 P1 91.10(11) . . ?
C1A Pt1 P1 178.62(10) . . ?
C1B Pt1 P1 94.79(10) . . ?
C5 Pt1 Pt2 117.61(12) . . ?
C1A Pt1 Pt2 62.81(10) . . ?
C1B Pt1 Pt2 62.46(11) . . ?
P1 Pt1 Pt2 116.43(3) . . ?
C6 Pt2 C2A 173.60(15) . . ?
C6 Pt2 C2B 90.3(2) . . ?
C2A Pt2 C2B 83.44(14) . . ?
C6 Pt2 P2 92.91(12) . . ?
C2A Pt2 P2 93.39(10) . . ?
C2B Pt2 P2 176.79(11) . . ?
C6 Pt2 Pt1 115.18(13) . . ?
C2A Pt2 Pt1 62.82(11) . . ?
C2B Pt2 Pt1 62.95(10) . . ?
P2 Pt2 Pt1 115.12(3) . . ?
C27 P1 C40 105.8(2) . . ?
C27 P1 C30 105.0(2) . . ?
C40 P1 C30 102.6(2) . . ?
C27 P1 Pt1 111.19(13) . . ?
C40 P1 Pt1 116.94(13) . . ?
C30 P1 Pt1 114.15(13) . . ?
C70 P2 C60 102.3(2) . . ?
C70 P2 C57 105.3(2) . . ?
C60 P2 C57 104.9(2) . . ?
C70 P2 Pt2 116.85(12) . . ?
C60 P2 Pt2 114.14(12) . . ?
C57 P2 Pt2 112.08(12) . . ?
F5E F4 C3B 75.8(4) . . ?
F5E F4 F6E 116.6(15) . . ?
C3B F4 F6E 50.1(4) . . ?
F6 F4E C3B 77.7(4) . . ?
F6 F4E F5 120.5(11) . . ?
C3B F4E F5 47.7(4) . . ?
F6E F5 C3B 76.5(4) . . ?
F6E F5 F4E 109.7(15) . . ?
C3B F5 F4E 47.7(4) . . ?
F4 F5E C3B 75.9(4) . . ?
F4 F5E F6 120.2(12) . . ?
C3B F5E F6 49.5(4) . . ?
F4E F6 C3B 77.7(4) . . ?
F4E F6 F5E 121.6(12) . . ?
C3B F6 F5E 49.4(4) . . ?
F5 F6E C3B 76.5(4) . . ?
F5 F6E F4 125.9(3) . . ?
C3B F6E F4 50.1(4) . . ?
F9E F7 C4A 75.0(4) . . ?
F9E F7 F8E 125.6(6) . . ?
C4A F7 F8E 52.5(4) . . ?
F8 F7E C4A 78.3(4) . . ?
F8 F7E F9 124.7(10) . . ?
C4A F7E F9 48.5(4) . . ?
F7E F8 C4A 78.3(4) . . ?
F7E F8 F9E 119.4(16) . . ?
C4A F8 F9E 48.0(4) . . ?
F9 F8E C4A 74.4(4) . . ?
F9 F8E F7 125.1(7) . . ?
C4A F8E F7 52.5(4) . . ?
F8E F9 C4A 74.3(4) . . ?
F8E F9 F7E 107.9(17) . . ?
C4A F9 F7E 48.5(4) . . ?
F7 F9E C4A 75.0(4) . . ?
F7 F9E F8 110.0(13) . . ?
C4A F9E F8 48.0(4) . . ?
C2B C1B C4B 123.9(3) . . ?
C2B C1B Pt1 117.6(3) . . ?
C4B C1B Pt1 118.4(3) . . ?
C2A C1A C4A 127.7(3) . . ?
C2A C1A Pt1 116.8(2) . . ?
C4A C1A Pt1 115.5(2) . . ?
C1B C2B C3B 127.2(3) . . ?
C1B C2B Pt2 116.9(3) . . ?
C3B C2B Pt2 115.9(2) . . ?
C1A C2A C3A 123.8(3) . . ?
C1A C2A Pt2 117.6(3) . . ?
C3A C2A Pt2 118.6(3) . . ?
F5 C3B F6E 27.0(8) . . ?
F5 C3B F5E 126.9(10) . . ?
F6E C3B F5E 103.0(5) . . ?
F5 C3B F4E 84.5(8) . . ?
F6E C3B F4E 103.0(5) . . ?
F5E C3B F4E 103.0(5) . . ?
F5 C3B F6 106.5(5) . . ?
F6E C3B F6 119.2(9) . . ?
F5E C3B F6 81.1(8) . . ?
F4E C3B F6 24.6(8) . . ?
F5 C3B F4 106.5(5) . . ?
F6E C3B F4 79.9(8) . . ?
F5E C3B F4 28.3(7) . . ?
F4E C3B F4 124.5(9) . . ?
F6 C3B F4 106.5(5) . . ?
F5 C3B C2B 109.3(7) . . ?
F6E C3B C2B 117.1(6) . . ?
F5E C3B C2B 114.0(8) . . ?
F4E C3B C2B 114.9(7) . . ?
F6 C3B C2B 115.5(7) . . ?
F4 C3B C2B 111.9(7) . . ?
F11 C3A F10 104.3(3) . . ?
F11 C3A F12 106.7(3) . . ?
F10 C3A F12 105.1(3) . . ?
F11 C3A C2A 114.8(3) . . ?
F10 C3A C2A 112.8(3) . . ?
F12 C3A C2A 112.3(3) . . ?
F3 C4B F2 106.0(3) . . ?
F3 C4B F1 103.6(3) . . ?
F2 C4B F1 103.6(3) . . ?
F3 C4B C1B 114.0(3) . . ?
F2 C4B C1B 114.4(3) . . ?
F1 C4B C1B 114.0(3) . . ?
F7 C4A F8 105.5(3) . . ?
F7 C4A F9E 30.1(8) . . ?
F8 C4A F9E 83.9(8) . . ?
F7 C4A F8E 75.0(9) . . ?
F8 C4A F8E 121.3(10) . . ?
F9E C4A F8E 104.1(8) . . ?
F7 C4A F7E 118.8(11) . . ?
F8 C4A F7E 23.4(7) . . ?
F9E C4A F7E 104.1(8) . . ?
F8E C4A F7E 104.1(8) . . ?
F7 C4A F9 105.4(3) . . ?
F8 C4A F9 105.4(3) . . ?
F9E C4A F9 132.5(9) . . ?
F8E C4A F9 31.3(8) . . ?
F7E C4A F9 83.0(8) . . ?
F7 C4A C1A 113.0(3) . . ?
F8 C4A C1A 115.6(4) . . ?
F9E C4A C1A 105.6(10) . . ?
F8E C4A C1A 117.4(11) . . ?
F7E C4A C1A 119.8(11) . . ?
F9 C4A C1A 111.1(3) . . ?
O5 C5 Pt1 178.1(3) . . ?
O6 C6 Pt2 176.7(4) . . ?
C21 C20 C25 118.4(4) . . ?
C21 C20 C27 120.7(4) . . ?
C25 C20 C27 120.8(4) . . ?
C20 C21 C22 122.3(4) . . ?
C23 C22 C21 118.1(5) . . ?
C24 C23 C22 120.1(4) . . ?
C23 C24 C25 120.8(4) . . ?
C24 C25 C20 120.2(4) . . ?
C20 C27 P1 113.5(3) . . ?
C35 C30 C31 118.8(4) . . ?
C35 C30 P1 121.2(3) . . ?
C31 C30 P1 120.1(3) . . ?
C32 C31 C30 118.9(5) . . ?
C33 C32 C31 121.6(5) . . ?
C32 C33 C34 120.0(5) . . ?
C33 C34 C35 119.4(5) . . ?
C30 C35 C34 121.4(4) . . ?
C41 C40 C45 118.3(4) . . ?
C41 C40 P1 124.2(3) . . ?
C45 C40 P1 117.5(3) . . ?
C40 C41 C42 120.5(5) . . ?
C43 C42 C41 119.4(5) . . ?
C44 C43 C42 120.7(5) . . ?
C43 C44 C45 120.9(5) . . ?
C44 C45 C40 120.2(5) . . ?
C55 C50 C51 119.5(4) . . ?
C55 C50 C57 119.5(4) . . ?
C51 C50 C57 121.0(4) . . ?
C52 C51 C50 118.9(5) . . ?
C53 C52 C51 121.9(4) . . ?
C52 C53 C54 119.3(4) . . ?
C53 C54 C55 119.0(5) . . ?
C50 C55 C54 121.3(4) . . ?
C50 C57 P2 112.3(2) . . ?
C65 C60 C61 118.8(4) . . ?
C65 C60 P2 120.1(3) . . ?
C61 C60 P2 121.0(3) . . ?
C62 C61 C60 119.4(5) . . ?
C63 C62 C61 121.2(5) . . ?
C64 C63 C62 120.3(5) . . ?
C63 C64 C65 119.9(5) . . ?
C60 C65 C64 120.3(4) . . ?
C75 C70 C71 119.1(4) . . ?
C75 C70 P2 117.5(3) . . ?
C71 C70 P2 123.3(3) . . ?
C70 C71 C72 119.5(4) . . ?
C73 C72 C71 120.2(4) . . ?
C74 C73 C72 119.6(4) . . ?
C73 C74 C75 120.7(5) . . ?
C74 C75 C70 120.9(4) . . ?

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
C3B C2B C1B Pt1 178.5(3) . . . . ?
C4B C1B C2B Pt2 -179.2(3) . . . . ?
P1 Pt1 C1B C2B 119.0(3) . . . . ?
P1 Pt1 C1B C4B -64.1(3) . . . . ?
P1 Pt1 C1A C4A -126.1(40) . . . . ?
P2 Pt2 C2B C1B 55.3(21) . . . . ?
P2 Pt2 C2B C3B -125.6(18) . . . . ?
P2 Pt2 C2A C1A 116.9(3) . . . . ?
P2 Pt2 C2A C3A -65.4(3) . . . . ?
P1 Pt1 C1A C2A 56.8(42) . . . . ?
P1 Pt1 C1A C4A -126.1(40) . . . . ?
C3B C2B C1B C4B 1.8(6) . . . . ?
C3A C2A C1A C4A 5.2(6) . . . . ?

_refine_diff_density_max    1.374
_refine_diff_density_min   -0.689
_refine_diff_density_rms    0.094
#===END