#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/38/4073882.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_4073882
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            'C98.5 H87 Cl9 F6 O6 P6 Pt2 S2'
_chemical_formula_weight         2439.85
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 92.981(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.534(4)
_cell_length_b                   19.080(2)
_cell_length_c                   17.170(2)
_cell_measurement_reflns_used    5535
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      23.78
_cell_measurement_theta_min      2.44
_cell_volume                     10317(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      295(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0486
_diffrn_reflns_av_sigmaI/netI    0.0561
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36309
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    3.137
_exptl_absorpt_correction_T_max  0.7444
_exptl_absorpt_correction_T_min  0.2547
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4844
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.220
_refine_diff_density_min         -0.825
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         11831
_refine_ls_number_restraints     184
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0834P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1523
_reflns_number_gt                7438
_reflns_number_total             11831
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700706r-file005.cif
_cod_data_source_block           4331
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C98.50 H87 Cl9 F6 O6 P6 Pt2 S2'
_cod_database_code               4073882
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.591952(7) 0.754768(11) 0.639113(13) 0.04654(10) Uani 1 1 d . . .
P1 P 0.58767(5) 0.87164(8) 0.66526(9) 0.0459(3) Uani 1 1 d . . .
P2 P 0.65255(5) 0.75590(8) 0.56566(10) 0.0528(4) Uani 1 1 d . . .
P3 P 0.58791(5) 0.63468(9) 0.61596(11) 0.0606(4) Uani 1 1 d . . .
C1 C 0.51917(19) 0.6946(3) 0.7302(4) 0.0565(16) Uani 1 1 d . . .
H1 H 0.5316 0.6516 0.7199 0.068 Uiso 1 1 calc R . .
C2 C 0.5389(2) 0.7540(2) 0.7061(4) 0.0459(13) Uani 1 1 d . . .
C3 C 0.51925(16) 0.8187(3) 0.7288(3) 0.0413(12) Uani 1 1 d . . .
C4 C 0.53788(16) 0.8825(3) 0.7108(3) 0.0443(12) Uani 1 1 d . . .
C5 C 0.51954(16) 0.9476(3) 0.7299(3) 0.0427(12) Uani 1 1 d . . .
C6 C 0.5377(2) 1.0138(3) 0.7121(3) 0.0551(15) Uani 1 1 d . . .
H6 H 0.5631 1.0150 0.6870 0.066 Uiso 1 1 calc R . .
C7 C 0.5189(2) 1.0748(3) 0.7308(4) 0.0609(17) Uani 1 1 d . . .
H7 H 0.5314 1.1171 0.7179 0.073 Uiso 1 1 calc R . .
C8 C 0.6844(2) 0.6763(4) 0.5838(4) 0.0692(19) Uani 1 1 d . . .
H8A H 0.7122 0.6841 0.5636 0.083 Uiso 1 1 calc R . .
H8B H 0.6885 0.6703 0.6398 0.083 Uiso 1 1 calc R . .
C9 C 0.6671(2) 0.6090(4) 0.5500(5) 0.083(2) Uani 1 1 d . . .
H9A H 0.6766 0.5710 0.5842 0.099 Uiso 1 1 calc R . .
H9B H 0.6796 0.6015 0.5003 0.099 Uiso 1 1 calc R . .
C10 C 0.6190(2) 0.6030(4) 0.5369(4) 0.0727(19) Uani 1 1 d . . .
H10A H 0.6119 0.5541 0.5276 0.087 Uiso 1 1 calc R . .
H10B H 0.6105 0.6287 0.4899 0.087 Uiso 1 1 calc R . .
C1A C 0.62782(6) 0.90260(11) 0.73747(10) 0.0625(18) Uani 1 1 d G . .
C2A C 0.64216(6) 0.85278(13) 0.79172(10) 0.078(2) Uani 1 1 d G . .
H2A H 0.6309 0.8077 0.7900 0.094 Uiso 1 1 calc R . .
C3A C 0.67335(7) 0.87027(15) 0.84859(11) 0.117(4) Uani 1 1 d G . .
H3A H 0.6829 0.8369 0.8849 0.141 Uiso 1 1 calc R . .
C4A C 0.69020(8) 0.93760(16) 0.85120(13) 0.136(5) Uani 1 1 d G . .
H4A H 0.7111 0.9493 0.8892 0.163 Uiso 1 1 calc R . .
C5A C 0.67587(8) 0.98743(14) 0.79695(14) 0.113(3) Uani 1 1 d G . .
H5A H 0.6871 1.0325 0.7987 0.136 Uiso 1 1 calc R . .
C6A C 0.64468(7) 0.96993(11) 0.74008(12) 0.077(2) Uani 1 1 d G . .
H6A H 0.6351 1.0033 0.7038 0.092 Uiso 1 1 calc R . .
C1B C 0.58496(6) 0.92534(8) 0.57876(11) 0.0531(15) Uani 1 1 d G . .
C2B C 0.54730(7) 0.92416(10) 0.53297(12) 0.0672(18) Uani 1 1 d G . .
H2B H 0.5239 0.9001 0.5500 0.081 Uiso 1 1 calc R . .
C3B C 0.54467(8) 0.95892(11) 0.46174(13) 0.099(3) Uani 1 1 d G . .
H3B H 0.5195 0.9581 0.4311 0.118 Uiso 1 1 calc R . .
C4B C 0.57971(9) 0.99487(11) 0.43630(13) 0.115(4) Uani 1 1 d G . .
H4B H 0.5780 1.0181 0.3886 0.137 Uiso 1 1 calc R . .
C5B C 0.61737(9) 0.99606(9) 0.48209(13) 0.107(3) Uani 1 1 d G . .
H5B H 0.6408 1.0201 0.4651 0.129 Uiso 1 1 calc R . .
C6B C 0.62000(7) 0.96130(8) 0.55332(12) 0.0707(19) Uani 1 1 d G . .
H6B H 0.6452 0.9621 0.5840 0.085 Uiso 1 1 calc R . .
C1C C 0.69249(5) 0.82333(10) 0.58558(12) 0.0705(19) Uani 1 1 d G . .
C2C C 0.71208(5) 0.82699(11) 0.65988(13) 0.091(2) Uani 1 1 d GU . .
H2C H 0.7047 0.7954 0.6981 0.109 Uiso 1 1 calc R . .
C3C C 0.74267(5) 0.87793(13) 0.67704(15) 0.124(4) Uani 1 1 d GU . .
H3C H 0.7558 0.8804 0.7268 0.149 Uiso 1 1 calc R . .
C4C C 0.75367(6) 0.92520(13) 0.61988(17) 0.152(5) Uani 1 1 d GU . .
H4C H 0.7741 0.9593 0.6314 0.182 Uiso 1 1 calc R . .
C5C C 0.73408(7) 0.92153(11) 0.54558(15) 0.132(4) Uani 1 1 d GU . .
H5C H 0.7414 0.9532 0.5073 0.159 Uiso 1 1 calc R . .
C6C C 0.70350(6) 0.87060(10) 0.52843(13) 0.096(3) Uani 1 1 d GU . .
H6C H 0.6904 0.8681 0.4787 0.115 Uiso 1 1 calc R . .
C1D C 0.64195(7) 0.75895(9) 0.46151(10) 0.0645(18) Uani 1 1 d G . .
C2D C 0.60420(7) 0.78945(10) 0.43316(9) 0.095(3) Uani 1 1 d GU . .
H2D H 0.5846 0.8056 0.4677 0.114 Uiso 1 1 calc R . .
C3D C 0.59569(9) 0.79575(13) 0.35322(9) 0.154(5) Uani 1 1 d GU . .
H3D H 0.5704 0.8162 0.3342 0.185 Uiso 1 1 calc R . .
C4D C 0.62492(10) 0.77155(14) 0.30164(10) 0.168(5) Uani 1 1 d GU . .
H4D H 0.6192 0.7758 0.2482 0.202 Uiso 1 1 calc R . .
C5D C 0.66266(10) 0.74105(13) 0.32999(11) 0.151(5) Uani 1 1 d GU . .
H5D H 0.6822 0.7249 0.2955 0.181 Uiso 1 1 calc R . .
C6D C 0.67118(8) 0.73475(11) 0.40993(12) 0.107(3) Uani 1 1 d GU . .
H6D H 0.6964 0.7143 0.4289 0.128 Uiso 1 1 calc R . .
C1E C 0.60663(8) 0.58356(10) 0.70062(15) 0.084(2) Uani 1 1 d G . .
C2E C 0.61276(9) 0.51165(10) 0.69483(18) 0.129(4) Uani 1 1 d GU . .
H2E H 0.6071 0.4890 0.6475 0.155 Uiso 1 1 calc R . .
C3E C 0.62737(11) 0.47357(11) 0.7598(2) 0.175(6) Uani 1 1 d GU . .
H3E H 0.6315 0.4255 0.7559 0.210 Uiso 1 1 calc R . .
C4E C 0.63586(11) 0.50740(14) 0.83061(19) 0.162(5) Uani 1 1 d GU . .
H4E H 0.6456 0.4819 0.8741 0.194 Uiso 1 1 calc R . .
C5E C 0.62974(10) 0.57932(14) 0.83641(15) 0.122(3) Uani 1 1 d GU . .
H5E H 0.6354 0.6020 0.8838 0.146 Uiso 1 1 calc R . .
C6E C 0.61513(8) 0.61740(12) 0.77141(14) 0.093(3) Uani 1 1 d GU . .
H6E H 0.6110 0.6655 0.7753 0.112 Uiso 1 1 calc R . .
C1F C 0.53569(7) 0.60580(10) 0.58312(15) 0.080(2) Uani 1 1 d G . .
C2F C 0.51551(7) 0.64450(11) 0.52344(15) 0.111(3) Uani 1 1 d GU . .
H2F H 0.5294 0.6820 0.5015 0.134 Uiso 1 1 calc R . .
C3F C 0.47451(7) 0.62714(14) 0.49659(18) 0.156(5) Uani 1 1 d GU . .
H3F H 0.4610 0.6530 0.4567 0.188 Uiso 1 1 calc R . .
C4F C 0.45367(8) 0.57108(15) 0.5294(2) 0.154(6) Uani 1 1 d GU . .
H4F H 0.4262 0.5595 0.5115 0.184 Uiso 1 1 calc R . .
C5F C 0.47385(8) 0.53238(13) 0.5891(2) 0.143(5) Uani 1 1 d GU . .
H5F H 0.4599 0.4949 0.6111 0.171 Uiso 1 1 calc R . .
C6F C 0.51485(8) 0.54974(11) 0.61595(18) 0.108(3) Uani 1 1 d GU . .
H6F H 0.5283 0.5238 0.6559 0.129 Uiso 1 1 calc R . .
C1S C 0.6898(5) 1.3185(7) 0.5643(8) 0.41(2) Uani 1 1 d DU . .
F1 F 0.6797(4) 1.2997(6) 0.4858(7) 0.289(6) Uani 1 1 d DU . .
F2 F 0.7333(4) 1.3061(6) 0.5837(11) 0.335(8) Uani 1 1 d DU . .
F3 F 0.6646(6) 1.3075(9) 0.6283(8) 0.363(8) Uani 1 1 d DU . .
O1 O 0.7020(3) 1.4177(7) 0.6488(5) 0.244(6) Uani 1 1 d DU . .
O2 O 0.7188(5) 1.4201(7) 0.5048(8) 0.271(7) Uani 1 1 d DU . .
O3 O 0.6450(3) 1.4185(6) 0.5395(6) 0.233(6) Uani 1 1 d DU . .
S1 S 0.6871(2) 1.4039(4) 0.5634(4) 0.259(3) Uani 1 1 d DU . .
C2S C 0.5901(4) 1.1966(8) 1.5005(7) 0.166(5) Uani 1 1 d . . .
H2S1 H 0.6125 1.1631 1.4918 0.200 Uiso 1 1 calc R . .
H2S2 H 0.6032 1.2417 1.5120 0.200 Uiso 1 1 calc R . .
Cl2A Cl 0.55852(14) 1.2033(3) 1.4196(2) 0.1919(17) Uani 1 1 d . . .
Cl2B Cl 0.5631(2) 1.1708(3) 1.5765(3) 0.286(3) Uani 1 1 d . . .
C3S C 0.7609(7) 0.6354(15) 0.8632(14) 0.342(16) Uani 1 1 d . . .
H3S1 H 0.7423 0.6032 0.8889 0.410 Uiso 1 1 calc R . .
H3S2 H 0.7568 0.6814 0.8855 0.410 Uiso 1 1 calc R . .
Cl3A Cl 0.80983(19) 0.6114(3) 0.8841(4) 0.245(3) Uani 1 1 d . . .
Cl3B Cl 0.7461(2) 0.6385(5) 0.7736(4) 0.342(4) Uani 1 1 d . . .
C4S C 0.5357(18) 0.679(2) 0.265(4) 0.25(3) Uiso 0.25 1 d PD A -1
H4SA H 0.5641 0.6763 0.2454 0.295 Uiso 0.25 1 calc PR A -1
H4SB H 0.5376 0.7042 0.3135 0.295 Uiso 0.25 1 calc PR A -1
Cl4A Cl 0.5204(8) 0.6017(11) 0.2814(13) 0.260(11) Uiso 0.25 1 d PD A -1
Cl4B Cl 0.5056(8) 0.7218(11) 0.2027(12) 0.225(8) Uiso 0.25 1 d PD 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'
Cl Cl 0.1484 0.1585 '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 80.83(14) .
C2 Pt1 P3 92.80(14) .
P1 Pt1 P3 173.21(5) .
C2 Pt1 P2 178.96(18) .
P1 Pt1 P2 98.93(5) .
P3 Pt1 P2 87.49(5) .
C4 P1 C1B 106.66(19) .
C4 P1 C1A 104.93(19) .
C1B P1 C1A 112.18(12) .
C4 P1 Pt1 105.08(19) .
C1B P1 Pt1 113.23(9) .
C1A P1 Pt1 113.85(10) .
C1D P2 C1C 104.73(12) .
C1D P2 C8 105.5(2) .
C1C P2 C8 100.7(2) .
C1D P2 Pt1 114.82(11) .
C1C P2 Pt1 118.75(9) .
C8 P2 Pt1 110.8(2) .
C1F P3 C10 100.6(3) .
C1F P3 C1E 109.83(12) .
C10 P3 C1E 104.6(3) .
C1F P3 Pt1 113.34(11) .
C10 P3 Pt1 115.3(2) .
C1E P3 Pt1 112.20(12) .
C2 C1 C1 124.0(3) 2_656
C1 C2 C3 114.7(5) .
C1 C2 Pt1 124.5(4) .
C3 C2 Pt1 120.8(4) .
C4 C3 C2 119.7(5) .
C4 C3 C3 119.1(3) 2_656
C2 C3 C3 121.2(3) 2_656
C3 C4 C5 122.2(5) .
C3 C4 P1 112.5(4) .
C5 C4 P1 125.3(4) .
C4 C5 C6 123.6(5) .
C4 C5 C5 118.7(3) 2_656
C6 C5 C5 117.7(3) 2_656
C7 C6 C5 121.7(6) .
C6 C7 C7 120.5(4) 2_656
C9 C8 P2 117.2(5) .
C8 C9 C10 117.4(6) .
C9 C10 P3 115.8(5) .
C2A C1A C6A 120.0 .
C2A C1A P1 115.10(8) .
C6A C1A P1 124.89(8) .
C1A C2A C3A 120.0 .
C4A C3A C2A 120.0 .
C3A C4A C5A 120.0 .
C4A C5A C6A 120.0 .
C5A C6A C1A 120.0 .
C2B C1B C6B 120.0 .
C2B C1B P1 117.34(7) .
C6B C1B P1 122.35(7) .
C1B C2B C3B 120.0 .
C2B C3B C4B 120.0 .
C5B C4B C3B 120.0 .
C4B C5B C6B 120.0 .
C5B C6B C1B 120.0 .
C2C C1C C6C 120.0 .
C2C C1C P2 118.56(8) .
C6C C1C P2 121.45(8) .
C1C C2C C3C 120.0 .
C4C C3C C2C 120.0 .
C5C C4C C3C 120.0 .
C6C C5C C4C 120.0 .
C5C C6C C1C 120.0 .
C6D C1D C2D 120.0 .
C6D C1D P2 121.76(7) .
C2D C1D P2 118.16(7) .
C3D C2D C1D 120.0 .
C4D C3D C2D 120.0 .
C5D C4D C3D 120.0 .
C4D C5D C6D 120.0 .
C1D C6D C5D 120.0 .
C2E C1E C6E 120.0 .
C2E C1E P3 120.77(8) .
C6E C1E P3 119.24(8) .
C1E C2E C3E 120.0 .
C4E C3E C2E 120.0 .
C3E C4E C5E 120.0 .
C4E C5E C6E 120.0 .
C1E C6E C5E 120.0 .
C6F C1F C2F 120.0 .
C6F C1F P3 123.57(9) .
C2F C1F P3 116.41(9) .
C3F C2F C1F 120.0 .
C2F C3F C4F 120.0 .
C3F C4F C5F 120.0 .
C6F C5F C4F 120.0 .
C5F C6F C1F 120.0 .
F3 C1S F2 111.8(15) .
F3 C1S F1 126.8(15) .
F2 C1S F1 110.5(14) .
F3 C1S S1 97.2(10) .
F2 C1S S1 102.7(10) .
F1 C1S S1 103.6(10) .
O3 S1 O2 115.0(9) .
O3 S1 O1 119.0(7) .
O2 S1 O1 115.1(9) .
O3 S1 C1S 104.5(8) .
O2 S1 C1S 100.2(7) .
O1 S1 C1S 98.6(7) .
Cl2B C2S Cl2A 111.4(9) .
Cl3B C3S Cl3A 116.8(17) .
Cl4A C4S Cl4B 115(2) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C2 2.078(6) .
Pt1 P1 2.2801(16) .
Pt1 P3 2.3279(18) .
Pt1 P2 2.3437(16) .
P1 C4 1.802(5) .
P1 C1B 1.803(2) .
P1 C1A 1.824(2) .
P2 C1D 1.803(3) .
P2 C1C 1.820(2) .
P2 C8 1.838(6) .
P3 C1F 1.799(3) .
P3 C10 1.820(6) .
P3 C1E 1.823(3) .
C1 C2 1.367(7) .
C1 C1 1.418(11) 2_656
C2 C3 1.445(7) .
C3 C4 1.394(7) .
C3 C3 1.448(10) 2_656
C4 C5 1.416(7) .
C5 C6 1.425(7) .
C5 C5 1.442(10) 2_656
C6 C7 1.352(8) .
C7 C7 1.394(12) 2_656
C8 C9 1.502(9) .
C9 C10 1.524(9) .
C1A C2A 1.3900 .
C1A C6A 1.3900 .
C2A C3A 1.3900 .
C3A C4A 1.3900 .
C4A C5A 1.3900 .
C5A C6A 1.3900 .
C1B C2B 1.3899 .
C1B C6B 1.3902 .
C2B C3B 1.3900 .
C3B C4B 1.3901 .
C4B C5B 1.3899 .
C5B C6B 1.3900 .
C1C C2C 1.3900 .
C1C C6C 1.3901 .
C2C C3C 1.3901 .
C3C C4C 1.3901 .
C4C C5C 1.3900 .
C5C C6C 1.3897 .
C1D C6D 1.3900 .
C1D C2D 1.3901 .
C2D C3D 1.3900 .
C3D C4D 1.3900 .
C4D C5D 1.3898 .
C5D C6D 1.3901 .
C1E C2E 1.3899 .
C1E C6E 1.3900 .
C2E C3E 1.3899 .
C3E C4E 1.3899 .
C4E C5E 1.3900 .
C5E C6E 1.3901 .
C1F C6F 1.3900 .
C1F C2F 1.3901 .
C2F C3F 1.3899 .
C3F C4F 1.3900 .
C4F C5F 1.3901 .
C5F C6F 1.3899 .
C1S F3 1.404(13) .
C1S F2 1.414(13) .
C1S F1 1.415(13) .
C1S S1 1.631(13) .
O1 S1 1.539(8) .
O2 S1 1.489(10) .
O3 S1 1.396(8) .
C2S Cl2B 1.670(14) .
C2S Cl2A 1.671(11) .
C3S Cl3B 1.59(2) .
C3S Cl3A 1.632(19) .
C4S Cl4A 1.58(3) .
C4S Cl4B 1.62(3) .
