#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:00:48 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179821 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/17/7011700.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7011700
loop_
_publ_author_name
'Renzo Ros'
'Augusto Tassan'
'Raymond Roulet'
'Gàbor Laurenczy'
'Virginie Duprez'
'Kurt Schenk'
_publ_section_title
;
 Reaction of triangulo-clusters [Pt3(μ-CO)3(PR3)3] with
 hexafluorobutyne. The X-ray crystal structures of
 [Pt2(CO)2(PR3)2(μ-η2:η2-CF3CCCF3)](PR3= PPh3 or PCy3) and
 [Pt2(CO)2(PBzPh2)(μ-η1:η1-CF3CCCF3)2]
;
_journal_issue                   18
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              3565
_journal_page_last               3570
_journal_paper_doi               10.1039/b203075f
_journal_year                    2002
_chemical_formula_sum            'C42 H66 F6 O2 P2 Pt2'
_chemical_formula_weight         1169.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 108.4810(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.8390(11)
_cell_length_b                   15.3101(10)
_cell_length_c                   18.6194(12)
_cell_measurement_temperature    293(2)
_cell_volume                     4552.7(5)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0218
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17087
_diffrn_reflns_theta_max         23.29
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    6.266
_exptl_absorpt_correction_T_max  0.5294
_exptl_absorpt_correction_T_min  0.3574
_exptl_absorpt_correction_type   integration
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_F_000             2296
_refine_diff_density_max         0.540
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       0.00021(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.856
_refine_ls_goodness_of_fit_obs   1.887
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         6484
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.856
_refine_ls_restrained_S_obs      1.887
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_obs          0.0207
_refine_ls_shift/esd_max         0.008
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0436
_refine_ls_wR_factor_obs         0.0426
_reflns_number_observed          6047
_reflns_number_total             6484
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b203075f.txt
_cod_data_source_block           Compound_three
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7011700
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'
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_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'
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_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_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) . . . . ?
