#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/38/4073879.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_4073879
loop_
_publ_author_name
'Hu, Jian'
'Lin, Ronger'
'Yip, John H. K.'
'Wong, Kwok-Yin'
'Ma, Dik-Lung'
'Vittal, Jagadese J.'
_publ_section_title
;
 Synthesis and Electronic Spectroscopy of Luminescent Cyclometalated
 Platinum−Anthracenyl Complexes
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              6533
_journal_paper_doi               10.1021/om700706r
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C94.5 H81 F6 O7 P6 Pt2 S2'
_chemical_formula_weight         2082.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.212(2)
_cell_length_b                   28.996(3)
_cell_length_c                   12.2327(10)
_cell_measurement_reflns_used    7184
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      22.55
_cell_measurement_theta_min      2.17
_cell_volume                     10361.5(15)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker 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  0.0828
_diffrn_reflns_av_sigmaI/netI    0.0612
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            71720
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    2.888
_exptl_absorpt_correction_T_max  0.7611
_exptl_absorpt_correction_T_min  0.4314
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            'ORANGY YELLOW'
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'NEEDLE, CUT'
_exptl_crystal_F_000             4144
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.458
_refine_diff_density_min         -1.603
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         12124
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0562
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0656P)²+27.2332P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1397
_refine_ls_wR_factor_ref         0.1542
_reflns_number_gt                7980
_reflns_number_total             12124
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700706r-file002.cif
_cod_data_source_block           2014a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        10361.4(15)
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum        'C94.50 H81 F6 O7 P6 Pt2 S2'
_cod_database_code               4073879
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, 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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.146233(9) 0.629562(8) 0.812702(19) 0.03799(10) Uani 1 1 d . . .
P1 P 0.13678(6) 0.63915(6) 0.99550(13) 0.0396(4) Uani 1 1 d . . .
P2 P 0.14005(6) 0.55078(6) 0.78049(14) 0.0401(4) Uani 1 1 d . . .
P3 P 0.16246(7) 0.61469(6) 0.63074(14) 0.0456(4) Uani 1 1 d . . .
C1 C 0.1557(3) 0.7260(2) 0.7199(5) 0.0464(17) Uani 1 1 d . . .
H1A H 0.1599 0.7107 0.6530 0.056 Uiso 1 1 calc R . .
C2 C 0.1498(2) 0.6999(2) 0.8115(5) 0.0406(15) Uani 1 1 d . . .
C3 C 0.1431(2) 0.7248(2) 0.9137(5) 0.0373(14) Uani 1 1 d . . .
C4 C 0.1364(2) 0.7019(2) 1.0150(5) 0.0356(14) Uani 1 1 d . . .
C5 C 0.1317(2) 0.7252(2) 1.1146(5) 0.0381(14) Uani 1 1 d . . .
C6 C 0.1267(3) 0.7019(3) 1.2152(5) 0.0516(18) Uani 1 1 d . . .
H6A H 0.1258 0.6695 1.2163 0.062 Uiso 1 1 calc R . .
C7 C 0.1233(3) 0.7257(3) 1.3099(5) 0.065(2) Uani 1 1 d . . .
H7A H 0.1209 0.7097 1.3764 0.077 Uiso 1 1 calc R . .
C8 C 0.1756(3) 0.5537(2) 0.6561(6) 0.0536(19) Uani 1 1 d . . .
H8A H 0.2081 0.5482 0.6706 0.064 Uiso 1 1 calc R . .
H8B H 0.1647 0.5333 0.5978 0.064 Uiso 1 1 calc R . .
C1A C 0.1834(3) 0.6152(2) 1.0754(5) 0.0478(17) Uani 1 1 d . . .
C2A C 0.1780(3) 0.5883(3) 1.1667(6) 0.065(2) Uani 1 1 d . . .
H2AA H 0.1484 0.5821 1.1932 0.078 Uiso 1 1 calc R . .
C3A C 0.2160(4) 0.5698(4) 1.2210(8) 0.085(3) Uani 1 1 d . . .
H3AA H 0.2121 0.5508 1.2826 0.102 Uiso 1 1 calc R . .
C4A C 0.2583(4) 0.5798(4) 1.1836(9) 0.096(4) Uani 1 1 d . . .
H4AA H 0.2841 0.5684 1.2210 0.115 Uiso 1 1 calc R . .
C5A C 0.2642(3) 0.6058(4) 1.0932(9) 0.096(3) Uani 1 1 d . . .
H5AA H 0.2939 0.6119 1.0676 0.115 Uiso 1 1 calc R . .
C6A C 0.2272(3) 0.6235(3) 1.0383(8) 0.076(3) Uani 1 1 d . . .
H6AA H 0.2317 0.6413 0.9750 0.091 Uiso 1 1 calc R . .
C1B C 0.0840(3) 0.6149(3) 1.0450(5) 0.0510(18) Uani 1 1 d . . .
C2B C 0.0800(3) 0.5669(3) 1.0562(6) 0.074(3) Uani 1 1 d . . .
H2BA H 0.1057 0.5480 1.0444 0.089 Uiso 1 1 calc R . .
C3B C 0.0390(5) 0.5476(4) 1.0841(8) 0.106(4) Uani 1 1 d . . .
H3BA H 0.0366 0.5154 1.0911 0.127 Uiso 1 1 calc R . .
C4B C 0.0017(5) 0.5746(6) 1.1018(10) 0.111(5) Uani 1 1 d . . .
H4BA H -0.0265 0.5609 1.1202 0.134 Uiso 1 1 calc R . .
C5B C 0.0046(4) 0.6211(6) 1.0931(10) 0.113(5) Uani 1 1 d . . .
H5BA H -0.0215 0.6391 1.1068 0.136 Uiso 1 1 calc R . .
C6B C 0.0456(3) 0.6429(4) 1.0642(8) 0.075(3) Uani 1 1 d . . .
H6BA H 0.0473 0.6751 1.0578 0.090 Uiso 1 1 calc R . .
C1C C 0.1622(3) 0.5066(2) 0.8678(6) 0.0462(17) Uani 1 1 d . . .
C2C C 0.2058(3) 0.5122(3) 0.9104(7) 0.064(2) Uani 1 1 d . . .
H2CA H 0.2234 0.5377 0.8880 0.077 Uiso 1 1 calc R . .
C3C C 0.2240(4) 0.4822(4) 0.9832(9) 0.094(3) Uani 1 1 d . . .
H3CA H 0.2540 0.4866 1.0090 0.113 Uiso 1 1 calc R . .
C4C C 0.1997(5) 0.4468(5) 1.0179(12) 0.128(5) Uani 1 1 d . . .
H4CA H 0.2120 0.4266 1.0703 0.154 Uiso 1 1 calc R . .
C5C C 0.1551(5) 0.4390(5) 0.9766(13) 0.142(6) Uani 1 1 d . . .
H5CA H 0.1383 0.4131 0.9995 0.170 Uiso 1 1 calc R . .
C6C C 0.1360(3) 0.4699(3) 0.9018(8) 0.084(3) Uani 1 1 d . . .
H6CA H 0.1060 0.4657 0.8754 0.101 Uiso 1 1 calc R . .
C1D C 0.0836(3) 0.5329(2) 0.7354(5) 0.0467(16) Uani 1 1 d . . .
C2D C 0.0460(3) 0.5574(3) 0.7715(7) 0.060(2) Uani 1 1 d . . .
H2DA H 0.0496 0.5817 0.8215 0.072 Uiso 1 1 calc R . .
C3D C 0.0026(3) 0.5458(4) 0.7335(8) 0.078(3) Uani 1 1 d . . .
H3DA H -0.0229 0.5625 0.7586 0.093 Uiso 1 1 calc R . .
C4D C -0.0038(4) 0.5114(4) 0.6622(9) 0.089(4) Uani 1 1 d . . .
H4DA H -0.0334 0.5044 0.6372 0.107 Uiso 1 1 calc R . .
C5D C 0.0335(4) 0.4863(4) 0.6252(8) 0.092(4) Uani 1 1 d . . .
H5DA H 0.0292 0.4619 0.5757 0.110 Uiso 1 1 calc R . .
C6D C 0.0778(3) 0.4977(3) 0.6622(6) 0.064(2) Uani 1 1 d . . .
H6DA H 0.1033 0.4811 0.6366 0.077 Uiso 1 1 calc R . .
C1E C 0.1147(3) 0.6176(3) 0.5368(5) 0.054(2) Uani 1 1 d . . .
C2E C 0.1115(3) 0.5895(3) 0.4468(6) 0.074(3) Uani 1 1 d . . .
H2EA H 0.1346 0.5677 0.4322 0.088 Uiso 1 1 calc R . .
C3E C 0.0743(4) 0.5932(4) 0.3779(7) 0.092(4) Uani 1 1 d . . .
H3EA H 0.0727 0.5741 0.3161 0.110 Uiso 1 1 calc R . .
C4E C 0.0409(4) 0.6232(4) 0.3964(9) 0.092(3) Uani 1 1 d . . .
H4EA H 0.0160 0.6257 0.3481 0.111 Uiso 1 1 calc R . .
C5E C 0.0437(4) 0.6510(4) 0.4905(9) 0.093(3) Uani 1 1 d . . .
H5EA H 0.0198 0.6717 0.5058 0.112 Uiso 1 1 calc R . .
C6E C 0.0801(3) 0.6489(3) 0.5597(7) 0.069(2) Uani 1 1 d . . .
H6EA H 0.0817 0.6682 0.6213 0.083 Uiso 1 1 calc R . .
C1F C 0.2118(3) 0.6418(2) 0.5674(6) 0.0535(19) Uani 1 1 d . . .
C2F C 0.2140(4) 0.6495(3) 0.4559(8) 0.080(3) Uani 1 1 d . . .
H2FA H 0.1891 0.6410 0.4117 0.096 Uiso 1 1 calc R . .
C3F C 0.2518(5) 0.6695(4) 0.4082(10) 0.114(4) Uani 1 1 d . . .
H3FA H 0.2533 0.6739 0.3322 0.137 Uiso 1 1 calc R . .
C4F C 0.2876(5) 0.6830(4) 0.4757(13) 0.125(5) Uani 1 1 d . . .
H4FA H 0.3135 0.6974 0.4453 0.149 Uiso 1 1 calc R . .
C5F C 0.2854(4) 0.6753(4) 0.5901(11) 0.103(4) Uani 1 1 d . . .
H5FA H 0.3098 0.6839 0.6359 0.124 Uiso 1 1 calc R . .
C6F C 0.2474(3) 0.6552(3) 0.6322(8) 0.075(3) Uani 1 1 d . . .
H6FA H 0.2455 0.6505 0.7081 0.090 Uiso 1 1 calc R . .
S1 S 0.1527(2) 0.45691(16) 0.3576(4) 0.165(2) Uani 1 1 d . . .
O1 O 0.1636(3) 0.4708(3) 0.4622(8) 0.148(4) Uani 1 1 d . . .
O2 O 0.1271(4) 0.4871(4) 0.2891(9) 0.155(4) Uani 1 1 d . . .
O3 O 0.2016(4) 0.4403(5) 0.2909(10) 0.186(6) Uani 1 1 d . . .
C9 C 0.1310(13) 0.4032(10) 0.345(2) 0.258(17) Uani 1 1 d . . .
F1 F 0.0898(4) 0.4136(6) 0.4080(11) 0.238(7) Uani 1 1 d . . .
F2 F 0.1566(6) 0.3719(4) 0.3908(13) 0.269(9) Uani 1 1 d . . .
F3 F 0.1243(6) 0.3908(5) 0.2466(13) 0.264(8) Uani 1 1 d . . .
O1S O 0.3057(9) 0.7500 1.000(2) 0.194(9) Uiso 0.50 2 d SPD . .
C1S C 0.3513(13) 0.7500 0.828(3) 0.194(9) Uiso 0.50 2 d SPD . .
H1S1 H 0.3487 0.7348 0.7578 0.291 Uiso 0.25 1 calc PR . .
H1S2 H 0.3733 0.7337 0.8732 0.291 Uiso 0.25 1 calc PR . .
H1S3 H 0.3615 0.7815 0.8176 0.291 Uiso 0.25 1 calc PR . .
C2S C 0.3039(11) 0.7500 0.886(2) 0.194(9) Uiso 0.50 2 d SPD . .
H2S1 H 0.2868 0.7773 0.8618 0.232 Uiso 0.25 1 calc PR . .
H2S2 H 0.2868 0.7227 0.8618 0.232 Uiso 0.25 1 calc PR . .
C3S C 0.2684(10) 0.7500 1.071(3) 0.194(9) Uiso 0.50 2 d SPD . .
H3S1 H 0.2497 0.7228 1.0555 0.232 Uiso 0.25 1 calc PR . .
H3S2 H 0.2497 0.7772 1.0555 0.232 Uiso 0.25 1 calc PR . .
C4S C 0.2794(15) 0.7500 1.195(3) 0.194(9) Uiso 0.50 2 d SPD . .
H4S1 H 0.2655 0.7233 1.2287 0.291 Uiso 0.25 1 calc PR . .
H4S2 H 0.2674 0.7779 1.2277 0.291 Uiso 0.25 1 calc PR . .
H4S3 H 0.3123 0.7489 1.2047 0.291 Uiso 0.50 2 calc SPR . .
O2S O 0.0661(12) 0.3117(15) 0.721(3) 0.173(9) Uiso 0.25 1 d PD A -1
C5S C 0.0044(16) 0.257(2) 0.778(4) 0.173(9) Uiso 0.25 1 d PD A -1
H5S1 H 0.0051 0.2242 0.7579 0.259 Uiso 0.25 1 calc PR A -1
H5S2 H -0.0115 0.2738 0.7212 0.259 Uiso 0.25 1 calc PR A -1
H5S3 H -0.0115 0.2603 0.8466 0.259 Uiso 0.25 1 calc PR A -1
C7S C 0.1044(12) 0.3411(13) 0.705(2) 0.173(9) Uiso 0.50 1 d PD A -1
H7S1 H 0.0933 0.3715 0.6817 0.208 Uiso 0.50 1 calc PR A -1
H7S2 H 0.1230 0.3286 0.6452 0.208 Uiso 0.50 1 calc PR A -1
C6S C 0.0540(14) 0.2748(17) 0.789(4) 0.173(9) Uiso 0.25 1 d PD A -1
H6S1 H 0.0588 0.2843 0.8648 0.208 Uiso 0.25 1 calc PR A -1
H6S2 H 0.0751 0.2492 0.7740 0.208 Uiso 0.50 2 calc SPR A -1
C8S C 0.1350(17) 0.347(3) 0.807(4) 0.173(9) Uiso 0.25 1 d PD A -1
H8S3 H 0.1359 0.3185 0.8476 0.259 Uiso 0.25 1 calc PR A -1
H8S2 H 0.1225 0.3714 0.8528 0.259 Uiso 0.25 1 calc PR A -1
H8S1 H 0.1657 0.3555 0.7843 0.259 Uiso 0.25 1 calc PR A -1
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'
S S 0.1246 0.1234 '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'
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_3
C2 Pt1 P1 83.76(17) .
C2 Pt1 P3 99.69(17) .
P1 Pt1 P3 173.84(7) .
C2 Pt1 P2 169.70(18) .
P1 Pt1 P2 106.13(6) .
P3 Pt1 P2 70.74(6) .
C1B P1 C1A 108.2(4) .
C1B P1 C4 109.9(3) .
C1A P1 C4 108.3(3) .
C1B P1 Pt1 112.8(2) .
C1A P1 Pt1 113.1(2) .
C4 P1 Pt1 104.5(2) .
C1C P2 C1D 107.8(3) .
C1C P2 C8 108.7(3) .
C1D P2 C8 105.9(3) .
C1C P2 Pt1 125.0(2) .
C1D P2 Pt1 113.8(3) .
C8 P2 Pt1 92.9(2) .
C1C P2 P3 144.4(3) .
C1D P2 P3 102.2(2) .
C8 P2 P3 43.0(2) .
Pt1 P2 P3 54.48(5) .
C1E P3 C1F 108.8(4) .
C1E P3 C8 108.2(4) .
C1F P3 C8 108.8(4) .
C1E P3 Pt1 116.3(3) .
C1F P3 Pt1 119.5(3) .
C8 P3 Pt1 93.4(2) .
C1E P3 P2 106.1(2) .
C1F P3 P2 141.5(3) .
C8 P3 P2 43.2(2) .
Pt1 P3 P2 54.78(5) .
C2 C1 C1 123.7(4) 7_575
C1 C2 C3 116.6(6) .
C1 C2 Pt1 124.5(5) .
C3 C2 Pt1 118.8(4) .
C4 C3 C2 122.4(6) .
C4 C3 C3 117.9(4) 7_575
C2 C3 C3 119.7(3) 7_575
C5 C4 C3 123.2(6) .
C5 C4 P1 126.3(5) .
C3 C4 P1 110.5(4) .
C4 C5 C6 122.5(6) .
C4 C5 C5 118.9(4) 7_575
C6 C5 C5 118.6(4) 7_575
C7 C6 C5 120.7(7) .
C6 C7 C7 120.7(4) 7_575
P3 C8 P2 93.8(3) .
C2A C1A C6A 118.3(8) .
C2A C1A P1 124.8(7) .
C6A C1A P1 116.9(6) .
C1A C2A C3A 120.8(9) .
C4A C3A C2A 119.0(9) .
C3A C4A C5A 120.9(10) .
C4A C5A C6A 120.7(10) .
C5A C6A C1A 120.4(9) .
C2B C1B C6B 119.3(8) .
C2B C1B P1 119.5(7) .
C6B C1B P1 121.0(6) .
C3B C2B C1B 120.4(11) .
C4B C3B C2B 120.4(12) .
C5B C4B C3B 120.6(12) .
C4B C5B C6B 121.6(13) .
C5B C6B C1B 117.7(10) .
C6C C1C C2C 119.2(7) .
C6C C1C P2 122.2(6) .
C2C C1C P2 118.3(6) .
C3C C2C C1C 122.2(9) .
C4C C3C C2C 120.1(10) .
C3C C4C C5C 120.3(10) .
C6C C5C C4C 120.0(11) .
C1C C6C C5C 118.1(10) .
C6D C1D C2D 119.5(7) .
C6D C1D P2 121.7(6) .
C2D C1D P2 118.6(6) .
C1D C2D C3D 119.6(9) .
C4D C3D C2D 121.7(10) .
C3D C4D C5D 119.7(10) .
C4D C5D C6D 119.5(10) .
C1D C6D C5D 120.0(9) .
C2E C1E C6E 120.0(8) .
C2E C1E P3 122.3(7) .
C6E C1E P3 117.7(6) .
C1E C2E C3E 119.8(10) .
C4E C3E C2E 121.9(10) .
C3E C4E C5E 118.2(11) .
C6E C5E C4E 121.9(11) .
C5E C6E C1E 118.2(9) .
C6F C1F C2F 119.4(8) .
C6F C1F P3 118.8(6) .
C2F C1F P3 121.8(7) .
C3F C2F C1F 121.5(10) .
C2F C3F C4F 118.1(11) .
C3F C4F C5F 120.4(10) .
C6F C5F C4F 118.8(11) .
C5F C6F C1F 121.8(10) .
O1 S1 O2 119.3(7) .
O1 S1 C9 116.2(11) .
O2 S1 C9 108.4(9) .
O1 S1 O3 109.3(7) .
O2 S1 O3 109.3(8) .
C9 S1 O3 90.6(13) .
F3 C9 F2 107(2) .
F3 C9 F1 116(3) .
F2 C9 F1 113(3) .
F3 C9 S1 114(3) .
F2 C9 S1 113(2) .
F1 C9 S1 94.0(15) .
C3S O1S C2S 126.4(13) .
O1S C2S C1S 114.8(11) .
O1S C3S C4S 116.5(12) .
C6S O2S C7S 138(3) .
O2S C7S C8S 114.2(11) .
O2S C6S C5S 116.4(10) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C2 2.043(6) .
Pt1 P1 2.2702(16) .
Pt1 P3 2.3163(17) .
Pt1 P2 2.3252(17) .
P1 C1B 1.799(7) .
P1 C1A 1.814(7) .
P1 C4 1.835(6) .
P2 C1C 1.788(7) .
P2 C1D 1.814(7) .
P2 C8 1.844(7) .
P2 P3 2.687(2) .
P3 C1E 1.809(8) .
P3 C1F 1.816(7) .
P3 C8 1.837(7) .
C1 C2 1.361(8) .
C1 C1 1.393(13) 7_575
C2 C3 1.457(8) .
C3 C4 1.419(8) .
C3 C3 1.462(13) 7_575
C4 C5 1.400(8) .
C5 C6 1.411(8) .
C5 C5 1.436(12) 7_575
C6 C7 1.352(9) .
C7 C7 1.409(16) 7_575
C1A C2A 1.373(10) .
C1A C6A 1.378(11) .
C2A C3A 1.400(12) .
C3A C4A 1.349(14) .
C4A C5A 1.350(14) .
C5A C6A 1.372(13) .
C1B C2B 1.401(11) .
C1B C6B 1.407(12) .
C2B C3B 1.366(14) .
C3B C4B 1.362(18) .
C4B C5B 1.355(17) .
C5B C6B 1.398(14) .
C1C C6C 1.377(11) .
C1C C2C 1.386(10) .
C2C C3C 1.354(12) .
C3C C4C 1.318(16) .
C4C C5C 1.416(17) .
C5C C6C 1.396(14) .
C1D C6D 1.368(10) .
C1D C2D 1.382(11) .
C2D C3D 1.391(11) .
C3D C4D 1.337(15) .
C4D C5D 1.385(15) .
C5D C6D 1.410(12) .
C1E C2E 1.373(10) .
C1E C6E 1.389(12) .
C2E C3E 1.378(14) .
C3E C4E 1.325(15) .
C4E C5E 1.408(15) .
C5E C6E 1.359(12) .
C1F C6F 1.364(12) .
C1F C2F 1.384(11) .
C2F C3F 1.377(13) .
C3F C4F 1.390(17) .
C4F C5F 1.420(17) .
C5F C6F 1.353(13) .
S1 O1 1.379(9) .
S1 O2 1.424(11) .
S1 C9 1.69(3) .
S1 O3 1.715(11) .
C9 F3 1.27(2) .
C9 F2 1.30(2) .
C9 F1 1.46(3) .
O1S C3S 1.395(10) .
O1S C2S 1.402(10) .
C1S C2S 1.554(10) .
C3S C4S 1.540(10) .
O2S C6S 1.398(7) .
O2S C7S 1.419(10) .
C5S C6S 1.549(7) .
C7S C8S 1.547(10) .
