#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:03:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179437 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/34/4333494.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4333494
loop_
_publ_author_name
'Punji, Benudhar'
'Mague, Joel T.'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Highly Air-Stable Anionic Mononuclear and Neutral Binuclear Palladium(II)
 Complexes for C−C and C−N Bond-Forming Reactions
;
_journal_issue                   26
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11316
_journal_page_last               11327
_journal_paper_doi               10.1021/ic701674x
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C47 H29 I2 N O4.25 P2 Pt S2'
_chemical_formula_weight         1250.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 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                 111.127(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.068(2)
_cell_length_b                   11.882(1)
_cell_length_c                   23.402(2)
_cell_measurement_reflns_used    8487
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.42
_cell_volume                     4686.3(8)
_computing_cell_refinement       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_collection       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2004)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_publication_material  'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker-AXS Smart APEX 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  0.0530
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            80147
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    4.512
_exptl_absorpt_correction_T_max  0.6367
_exptl_absorpt_correction_T_min  0.5285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2392
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.857
_refine_diff_density_min         -0.993
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         11645
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.141
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0399P)²+12.5116P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0925
_refine_ls_wR_factor_ref         0.0957
_reflns_number_gt                10171
_reflns_number_total             11645
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic701674xsup1.cif
_cod_data_source_block           msb287
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        4686.2(7)
_cod_original_sg_symbol_H-M      P2/n
_cod_database_code               4333494
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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
Pt Pt 0.041010(11) 0.087424(16) 0.289798(8) 0.02010(6) Uani 1 1 d .
I1 I 0.13863(2) -0.06668(3) 0.357285(17) 0.03008(9) Uani 1 1 d .
I2 I -0.02656(2) -0.06580(3) 0.206373(15) 0.02890(9) Uani 1 1 d .
S1 S 0.22367(8) 0.14378(11) 0.47637(6) 0.0271(3) Uani 1 1 d .
S2 S -0.15141(8) 0.15141(11) 0.11997(6) 0.0280(3) Uani 1 1 d .
P1 P 0.08752(7) 0.23445(11) 0.35069(5) 0.0206(2) Uani 1 1 d .
P2 P -0.02488(7) 0.24072(11) 0.24370(5) 0.0217(3) Uani 1 1 d .
O1 O 0.1744(2) 0.2779(3) 0.36171(15) 0.0291(8) Uani 1 1 d .
O2 O 0.0711(2) 0.2685(3) 0.41095(15) 0.0242(7) Uani 1 1 d .
O3 O -0.0121(2) 0.3007(3) 0.18714(15) 0.0249(7) Uani 1 1 d .
O4 O -0.1137(2) 0.2704(4) 0.23672(15) 0.0315(9) Uani 1 1 d .
N N 0.0271(2) 0.3258(4) 0.30122(18) 0.0238(9) Uani 1 1 d .
C1 C 0.2266(3) 0.3331(4) 0.4127(2) 0.0232(10) Uani 1 1 d .
C2 C 0.2516(3) 0.2842(4) 0.4695(2) 0.0216(10) Uani 1 1 d .
C3 C 0.3086(3) 0.3424(4) 0.5198(2) 0.0245(10) Uani 1 1 d .
C4 C 0.3372(3) 0.2985(5) 0.5801(2) 0.0316(12) Uani 1 1 d .
H4 H 0.3165 0.2300 0.5890 0.038 Uiso 1 1 calc R
C5 C 0.3953(3) 0.3558(5) 0.6259(3) 0.0385(14) Uani 1 1 d .
H5 H 0.4153 0.3253 0.6661 0.046 Uiso 1 1 calc R
C6 C 0.4249(4) 0.4572(5) 0.6141(3) 0.0405(15) Uani 1 1 d .
H6 H 0.4647 0.4955 0.6464 0.049 Uiso 1 1 calc R
C7 C 0.3978(3) 0.5025(5) 0.5570(3) 0.0352(13) Uani 1 1 d .
H7 H 0.4188 0.5720 0.5497 0.042 Uiso 1 1 calc R
C8 C 0.3388(3) 0.4472(4) 0.5086(2) 0.0267(11) Uani 1 1 d .
C9 C 0.3099(3) 0.4932(5) 0.4488(3) 0.0301(11) Uani 1 1 d .
H9 H 0.3294 0.5639 0.4415 0.036 Uiso 1 1 calc R
C10 C 0.2546(3) 0.4377(4) 0.4014(2) 0.0269(11) Uani 1 1 d .
H10 H 0.2354 0.4693 0.3614 0.032 Uiso 1 1 calc R
C11 C 0.0735(3) 0.2083(4) 0.4629(2) 0.0230(10) Uani 1 1 d .
C12 C 0.1408(3) 0.1569(4) 0.4993(2) 0.0240(10) Uani 1 1 d .
C13 C 0.1414(3) 0.1035(5) 0.5548(3) 0.0304(11) Uani 1 1 d .
C14 C 0.2088(4) 0.0497(5) 0.5966(3) 0.0414(15) Uani 1 1 d .
H14 H 0.2564 0.0467 0.5880 0.050 Uiso 1 1 calc R
C15 C 0.2069(4) 0.0016(6) 0.6491(3) 0.0496(18) Uani 1 1 d .
H15 H 0.2533 -0.0330 0.6770 0.060 Uiso 1 1 calc R
C16 C 0.1370(4) 0.0031(6) 0.6620(3) 0.0531(19) Uani 1 1 d .
H16 H 0.1358 -0.0306 0.6984 0.064 Uiso 1 1 calc R
C17 C 0.0710(4) 0.0530(6) 0.6220(3) 0.0474(17) Uani 1 1 d .
H17 H 0.0235 0.0522 0.6308 0.057 Uiso 1 1 calc R
C18 C 0.0706(3) 0.1059(5) 0.5681(3) 0.0340(12) Uani 1 1 d .
C19 C 0.0028(3) 0.1619(5) 0.5274(3) 0.0357(13) Uani 1 1 d .
H19 H -0.0445 0.1631 0.5362 0.043 Uiso 1 1 calc R
C20 C 0.0041(3) 0.2135(5) 0.4763(2) 0.0307(12) Uani 1 1 d .
H20 H -0.0412 0.2527 0.4500 0.037 Uiso 1 1 calc R
C21 C -0.0129(3) 0.2575(4) 0.1313(2) 0.0220(10) Uani 1 1 d .
C22 C -0.0744(3) 0.1943(4) 0.0942(2) 0.0222(10) Uani 1 1 d .
C23 C -0.0729(3) 0.1559(4) 0.0368(2) 0.0233(10) Uani 1 1 d .
C24 C -0.1337(3) 0.0858(5) -0.0034(2) 0.0298(11) Uani 1 1 d .
H24 H -0.1771 0.0627 0.0076 0.036 Uiso 1 1 calc R
C25 C -0.1290(3) 0.0524(5) -0.0576(3) 0.0387(14) Uani 1 1 d .
H25 H -0.1697 0.0062 -0.0844 0.046 Uiso 1 1 calc R
C26 C -0.0658(4) 0.0844(6) -0.0748(3) 0.0449(16) Uani 1 1 d .
H26 H -0.0633 0.0587 -0.1126 0.054 Uiso 1 1 calc R
C27 C -0.0079(4) 0.1520(6) -0.0379(3) 0.0395(14) Uani 1 1 d .
H27 H 0.0343 0.1747 -0.0506 0.047 Uiso 1 1 calc R
C28 C -0.0091(3) 0.1894(5) 0.0192(2) 0.0295(11) Uani 1 1 d .
C29 C 0.0510(3) 0.2583(5) 0.0590(3) 0.0321(12) Uani 1 1 d .
H29 H 0.0934 0.2822 0.0469 0.038 Uiso 1 1 calc R
C30 C 0.0499(3) 0.2910(5) 0.1139(2) 0.0299(12) Uani 1 1 d .
H30 H 0.0914 0.3364 0.1405 0.036 Uiso 1 1 calc R
C31 C -0.1682(3) 0.3282(5) 0.1870(2) 0.0269(11) Uani 1 1 d .
C32 C -0.1927(3) 0.2821(4) 0.1287(2) 0.0231(10) Uani 1 1 d .
C33 C -0.2517(3) 0.3394(5) 0.0800(2) 0.0258(11) Uani 1 1 d .
C34 C -0.2819(3) 0.2986(5) 0.0190(2) 0.0303(12) Uani 1 1 d .
H34 H -0.2623 0.2298 0.0094 0.036 Uiso 1 1 calc R
C35 C -0.3385(3) 0.3565(6) -0.0260(2) 0.0363(14) Uani 1 1 d .
H35 H -0.3583 0.3270 -0.0664 0.044 Uiso 1 1 calc R
C36 C -0.3675(3) 0.4574(6) -0.0136(3) 0.0395(15) Uani 1 1 d .
H36 H -0.4066 0.4970 -0.0457 0.047 Uiso 1 1 calc R
C37 C -0.3403(3) 0.5007(6) 0.0444(3) 0.0381(14) Uani 1 1 d .
H37 H -0.3607 0.5703 0.0522 0.046 Uiso 1 1 calc R
C38 C -0.2823(3) 0.4433(5) 0.0926(2) 0.0304(12) Uani 1 1 d .
C39 C -0.2534(3) 0.4858(5) 0.1533(3) 0.0342(13) Uani 1 1 d .
H39 H -0.2734 0.5552 0.1618 0.041 Uiso 1 1 calc R
C40 C -0.1973(3) 0.4293(5) 0.1998(2) 0.0347(13) Uani 1 1 d .
H40 H -0.1786 0.4587 0.2403 0.042 Uiso 1 1 calc R
C41 C 0.0169(3) 0.4444(4) 0.3079(2) 0.0258(11) Uani 1 1 d .
C42 C -0.0324(3) 0.4813(5) 0.3377(2) 0.0291(11) Uani 1 1 d .
H42 H -0.0587 0.4286 0.3543 0.035 Uiso 1 1 calc R
C43 C -0.0431(3) 0.5960(5) 0.3430(3) 0.0333(12) Uani 1 1 d .
H43 H -0.0764 0.6225 0.3636 0.040 Uiso 1 1 calc R
C44 C -0.0050(3) 0.6710(5) 0.3181(3) 0.0346(13) Uani 1 1 d .
H44 H -0.0130 0.7494 0.3213 0.042 Uiso 1 1 calc R
C45 C 0.0445(3) 0.6348(5) 0.2886(2) 0.0332(12) Uani 1 1 d .
H45 H 0.0705 0.6879 0.2719 0.040 Uiso 1 1 calc R
C46 C 0.0559(3) 0.5207(4) 0.2834(2) 0.0281(11) Uani 1 1 d .
H46 H 0.0900 0.4946 0.2634 0.034 Uiso 1 1 calc R
O7 O 0.2500 0.6036(15) 0.2500 0.130(10) Uani 0.50 2 d SP
C47 C 0.2097(17) 0.6709(18) 0.1993(9) 0.119(10) Uani 0.50 1 d P
C48 C 0.2146(9) 0.7786(13) 0.2234(6) 0.056(4) Uani 0.50 1 d P
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'
N N 0.0061 0.0033 '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'
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'
I I -0.4742 1.8119 '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_1
_geom_angle_site_symmetry_3
P1 Pt P2 71.35(5) . .
P1 Pt I2 171.85(3) . .
P2 Pt I2 100.52(3) . .
P1 Pt I1 98.36(3) . .
P2 Pt I1 169.22(3) . .
I2 Pt I1 89.724(14) . .
C2 S1 C12 104.2(2) . .
C32 S2 C22 101.6(2) . .
O1 P1 O2 105.23(19) . .
O1 P1 N 105.2(2) . .
O2 P1 N 99.4(2) . .
O1 P1 Pt 119.04(15) . .
O2 P1 Pt 128.29(14) . .
N P1 Pt 93.72(15) . .
O1 P1 P2 122.22(14) . .
O2 P1 P2 121.05(14) . .
N P1 P2 39.21(15) . .
Pt P1 P2 54.52(4) . .
O3 P2 O4 104.99(19) . .
O3 P2 N 101.0(2) . .
O4 P2 N 101.6(2) . .
O3 P2 Pt 123.76(15) . .
O4 P2 Pt 124.94(16) . .
N P2 Pt 93.30(15) . .
O3 P2 P1 121.15(14) . .
O4 P2 P1 120.96(14) . .
N P2 P1 39.17(15) . .
Pt P2 P1 54.13(4) . .
C1 O1 P1 128.2(3) . .
C11 O2 P1 133.0(3) . .
C21 O3 P2 131.0(3) . .
C31 O4 P2 124.9(3) . .
C41 N P1 129.7(3) . .
C41 N P2 128.5(3) . .
P1 N P2 101.6(2) . .
C2 C1 O1 121.2(5) . .
C2 C1 C10 123.0(4) . .
O1 C1 C10 115.7(4) . .
C1 C2 C3 118.8(5) . .
C1 C2 S1 119.0(4) . .
C3 C2 S1 121.7(4) . .
C4 C3 C8 118.7(5) . .
C4 C3 C2 122.5(5) . .
C8 C3 C2 118.8(5) . .
C5 C4 C3 119.6(6) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
C4 C5 C6 121.0(5) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
C7 C6 C5 120.8(5) . .
C7 C6 H6 119.6 . .
C5 C6 H6 119.6 . .
C6 C7 C8 120.5(6) . .
C6 C7 H7 119.8 . .
C8 C7 H7 119.8 . .
C7 C8 C9 121.1(5) . .
C7 C8 C3 119.4(5) . .
C9 C8 C3 119.5(5) . .
C10 C9 C8 121.1(5) . .
C10 C9 H9 119.4 . .
C8 C9 H9 119.4 . .
C9 C10 C1 118.8(5) . .
C9 C10 H10 120.6 . .
C1 C10 H10 120.6 . .
C12 C11 O2 121.1(4) . .
C12 C11 C20 123.7(5) . .
O2 C11 C20 115.0(4) . .
C11 C12 C13 118.6(5) . .
C11 C12 S1 121.0(4) . .
C13 C12 S1 120.2(4) . .
C14 C13 C18 118.6(5) . .
C14 C13 C12 123.2(5) . .
C18 C13 C12 118.2(5) . .
C15 C14 C13 121.1(6) . .
C15 C14 H14 119.4 . .
C13 C14 H14 119.4 . .
C14 C15 C16 120.3(6) . .
C14 C15 H15 119.8 . .
C16 C15 H15 119.8 . .
C17 C16 C15 119.6(6) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C16 C17 C18 122.0(6) . .
C16 C17 H17 119.0 . .
C18 C17 H17 119.0 . .
C17 C18 C19 122.3(5) . .
C17 C18 C13 118.3(5) . .
C19 C18 C13 119.4(5) . .
C20 C19 C18 121.4(5) . .
C20 C19 H19 119.3 . .
C18 C19 H19 119.3 . .
C19 C20 C11 118.7(5) . .
C19 C20 H20 120.7 . .
C11 C20 H20 120.7 . .
C22 C21 C30 122.3(5) . .
C22 C21 O3 122.0(4) . .
C30 C21 O3 115.5(4) . .
C21 C22 C23 119.2(4) . .
C21 C22 S2 120.0(4) . .
C23 C22 S2 120.6(4) . .
C28 C23 C24 119.1(5) . .
C28 C23 C22 118.5(4) . .
C24 C23 C22 122.4(5) . .
C25 C24 C23 119.6(5) . .
C25 C24 H24 120.2 . .
C23 C24 H24 120.2 . .
C24 C25 C26 121.5(5) . .
C24 C25 H25 119.3 . .
C26 C25 H25 119.3 . .
C27 C26 C25 120.2(5) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C26 C27 C28 121.1(5) . .
C26 C27 H27 119.4 . .
C28 C27 H27 119.4 . .
C29 C28 C23 119.1(5) . .
C29 C28 C27 122.4(5) . .
C23 C28 C27 118.5(5) . .
C30 C29 C28 121.5(5) . .
C30 C29 H29 119.2 . .
C28 C29 H29 119.2 . .
C29 C30 C21 119.3(5) . .
C29 C30 H30 120.4 . .
C21 C30 H30 120.4 . .
C32 C31 C40 123.0(5) . .
C32 C31 O4 120.2(5) . .
C40 C31 O4 116.8(5) . .
C31 C32 C33 118.7(5) . .
C31 C32 S2 117.5(4) . .
C33 C32 S2 123.7(4) . .
C34 C33 C32 123.3(5) . .
C34 C33 C38 117.8(5) . .
C32 C33 C38 118.9(5) . .
C35 C34 C33 121.1(6) . .
C35 C34 H34 119.5 . .
C33 C34 H34 119.5 . .
C34 C35 C36 120.9(5) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C37 C36 C35 120.5(5) . .
C37 C36 H36 119.8 . .
C35 C36 H36 119.8 . .
C36 C37 C38 120.7(6) . .
C36 C37 H37 119.6 . .
C38 C37 H37 119.6 . .
C37 C38 C39 122.0(6) . .
C37 C38 C33 119.0(5) . .
C39 C38 C33 119.0(5) . .
C40 C39 C38 121.5(5) . .
C40 C39 H39 119.2 . .
C38 C39 H39 119.2 . .
C39 C40 C31 118.9(5) . .
C39 C40 H40 120.6 . .
C31 C40 H40 120.6 . .
C42 C41 C46 121.0(5) . .
C42 C41 N 119.7(5) . .
C46 C41 N 119.3(5) . .
C41 C42 C43 119.4(5) . .
C41 C42 H42 120.3 . .
C43 C42 H42 120.3 . .
C44 C43 C42 119.4(5) . .
C44 C43 H43 120.3 . .
C42 C43 H43 120.3 . .
C43 C44 C45 121.5(5) . .
C43 C44 H44 119.2 . .
C45 C44 H44 119.2 . .
C44 C45 C46 119.5(5) . .
C44 C45 H45 120.3 . .
C46 C45 H45 120.3 . .
C45 C46 C41 119.2(5) . .
C45 C46 H46 120.4 . .
C41 C46 H46 120.4 . .
C47 O7 C47 110(2) 2 .
C48 C47 O7 104.2(16) . .
C47 C48 C48 105.0(13) . 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt P1 2.2193(13) .
Pt P2 2.2300(13) .
Pt I2 2.6265(4) .
Pt I1 2.6363(4) .
S1 C2 1.768(5) .
S1 C12 1.771(5) .
S2 C32 1.767(5) .
S2 C22 1.779(5) .
P1 O1 1.583(4) .
P1 O2 1.594(4) .
P1 N 1.673(4) .
P1 P2 2.5947(17) .
P2 O3 1.592(4) .
P2 O4 1.593(4) .
P2 N 1.675(4) .
O1 C1 1.390(6) .
O2 C11 1.399(6) .
O3 C21 1.399(6) .
O4 C31 1.404(6) .
N C41 1.437(6) .
C1 C2 1.368(7) .
C1 C10 1.403(7) .
C2 C3 1.433(7) .
C3 C4 1.416(7) .
C3 C8 1.420(7) .
C4 C5 1.378(8) .
C4 H4 0.9500 .
C5 C6 1.386(9) .
C5 H5 0.9500 .
C6 C7 1.357(8) .
C6 H6 0.9500 .
C7 C8 1.407(7) .
C7 H7 0.9500 .
C8 C9 1.417(7) .
C9 C10 1.367(7) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C12 1.353(7) .
C11 C20 1.398(7) .
C12 C13 1.441(7) .
C13 C14 1.411(8) .
C13 C18 1.420(8) .
C14 C15 1.367(8) .
C14 H14 0.9500 .
C15 C16 1.400(9) .
C15 H15 0.9500 .
C16 C17 1.358(9) .
C16 H16 0.9500 .
C17 C18 1.409(8) .
C17 H17 0.9500 .
C18 C19 1.417(8) .
C19 C20 1.352(8) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.363(7) .
C21 C30 1.394(7) .
C22 C23 1.428(7) .
C23 C28 1.415(7) .
C23 C24 1.427(7) .
C24 C25 1.361(8) .
C24 H24 0.9500 .
C25 C26 1.393(9) .
C25 H25 0.9500 .
C26 C27 1.355(9) .
C26 H26 0.9500 .
C27 C28 1.417(7) .
C27 H27 0.9500 .
C28 C29 1.410(8) .
C29 C30 1.351(8) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.386(7) .
C31 C40 1.387(8) .
C32 C33 1.421(7) .
C33 C34 1.418(7) .
C33 C38 1.426(8) .
C34 C35 1.359(8) .
C34 H34 0.9500 .
C35 C36 1.381(9) .
C35 H35 0.9500 .
C36 C37 1.367(9) .
C36 H36 0.9500 .
C37 C38 1.410(7) .
C37 H37 0.9500 .
C38 C39 1.417(8) .
C39 C40 1.367(8) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C42 1.386(8) .
C41 C46 1.392(7) .
C42 C43 1.388(8) .
C42 H42 0.9500 .
C43 C44 1.377(8) .
C43 H43 0.9500 .
C44 C45 1.381(8) .
C44 H44 0.9500 .
C45 C46 1.384(8) .
C45 H45 0.9500 .
C46 H46 0.9500 .
O7 C47 1.40(2) 2
O7 C47 1.40(2) .
C47 C48 1.39(2) .
C48 C48 1.43(3) 2
