#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/93/2209315.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2209315
loop_
_publ_author_name
'Hoong-Kun Fun'
'Suchada Chantrapromma'
'Yan-Cheng Liu'
'Zhen-Feng Chen'
'Hong Liang'
_publ_section_title
;
 cis-Dichlorobis(triphenylphosphine-κP)platinum(II)
;
_journal_coeditor_code           SJ2059
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1252
_journal_page_last               m1254
_journal_paper_doi               10.1107/S1600536806016540
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pt Cl2 (C18 H15 P)2]'
_chemical_formula_moiety         'C36 H30 Cl2 P2 Pt'
_chemical_formula_sum            'C36 H30 Cl2 P2 Pt'
_chemical_formula_weight         790.52
_chemical_name_systematic
;
cis-Dichlorobis(triphenylphosphine-\kP)platinum(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 94.4760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.5958(4)
_cell_length_b                   9.68950(10)
_cell_length_c                   19.6170(2)
_cell_measurement_reflns_used    12898
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      0.63
_cell_volume                     6176.88(12)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material
'SHELXTL, PLATON (Spek, 2003) and PARST (Nardelli, 1995)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      297(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
;
Bruker SMART APEX2 CCD area-detector
;
_diffrn_measurement_method       ω
_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  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            150461
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         0.63
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.845
_exptl_absorpt_correction_T_max  0.748
_exptl_absorpt_correction_T_min  0.255
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3104
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.112
_refine_diff_density_min         -1.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         18034
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0197P)²+12.2287P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0610
_refine_ls_wR_factor_ref         0.0713
_reflns_number_gt                12898
_reflns_number_total             18034
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sj2059.cif
_cod_data_source_block           I
_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:

'_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      'P 21/c'
_cod_database_code               2209315
_cod_database_fobs_code          2209315
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'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Pt Pt1A 0.613662(4) 0.490933(13) 0.299274(5) 0.02517(3) Uani d . 1
Pt Pt1B 0.120412(4) 0.503993(15) 0.452710(7) 0.03677(4) Uani d . 1
Cl Cl1A 0.65817(3) 0.51346(10) 0.21043(4) 0.0411(2) Uani d . 1
Cl Cl2A 0.57167(3) 0.35423(12) 0.22525(5) 0.0511(3) Uani d . 1
Cl Cl1B 0.12780(4) 0.74509(11) 0.45921(7) 0.0604(3) Uani d . 1
Cl Cl2B 0.09982(4) 0.50994(11) 0.56475(5) 0.0527(3) Uani d . 1
P P1A 0.66321(3) 0.61321(9) 0.36067(4) 0.02897(18) Uani d . 1
P P2A 0.56728(3) 0.47525(9) 0.37817(4) 0.02660(17) Uani d . 1
P P1B 0.15321(3) 0.51771(10) 0.35495(5) 0.0377(2) Uani d . 1
P P2B 0.10318(3) 0.27797(10) 0.45040(5) 0.0399(2) Uani d . 1
C C1A 0.51612(11) 0.4061(4) 0.35084(16) 0.0320(7) Uani d . 1
C C2A 0.51162(13) 0.2646(4) 0.34207(19) 0.0423(9) Uani d . 1
H H2AA 0.5347 0.2080 0.3467 0.051 Uiso calc R 1
C C3A 0.47324(14) 0.2069(5) 0.3265(2) 0.0524(11) Uani d . 1
H H3AA 0.4707 0.1120 0.3205 0.063 Uiso calc R 1
C C4A 0.43887(14) 0.2890(5) 0.3199(2) 0.0541(12) Uani d . 1
H H4AA 0.4131 0.2498 0.3099 0.065 Uiso calc R 1
C C5A 0.44267(14) 0.4275(6) 0.3279(2) 0.0598(13) Uani d . 1
H H5AA 0.4194 0.4832 0.3231 0.072 Uiso calc R 1
C C6A 0.48125(13) 0.4873(4) 0.3434(2) 0.0460(9) Uani d . 1
H H6AA 0.4835 0.5824 0.3487 0.055 Uiso calc R 1
C C7A 0.58246(11) 0.3558(4) 0.44693(16) 0.0305(7) Uani d . 1
C C8A 0.61465(12) 0.2647(4) 0.43952(18) 0.0371(8) Uani d . 1
H H8AA 0.6289 0.2676 0.4003 0.044 Uiso calc R 1
C C9A 0.62558(14) 0.1694(4) 0.4905(2) 0.0463(10) Uani d . 1
H H9AA 0.6470 0.1081 0.4851 0.056 Uiso calc R 1
C C10A 0.60492(14) 0.1650(4) 0.5489(2) 0.0499(11) Uani d . 1
H H10A 0.6132 0.1040 0.5839 0.060 Uiso calc R 1
C C11A 0.57195(14) 0.2510(4) 0.55537(19) 0.0496(11) Uani d . 1
H H11A 0.5574 0.2458 0.5942 0.059 Uiso calc R 1
C C12A 0.56019(13) 0.3452(4) 0.50465(18) 0.0413(9) Uani d . 1
H H12A 0.5374 0.4016 0.5090 0.050 Uiso calc R 1
C C13A 0.55626(11) 0.6456(4) 0.41083(17) 0.0311(7) Uani d . 1
C C14A 0.56023(12) 0.6871(4) 0.47920(19) 0.0410(9) Uani d . 1
H H14A 0.5686 0.6242 0.5133 0.049 Uiso calc R 1
C C15A 0.55169(15) 0.8224(5) 0.4958(2) 0.0532(11) Uani d . 1
H H15A 0.5549 0.8503 0.5413 0.064 Uiso calc R 1
C C16A 0.53859(14) 0.9160(5) 0.4463(3) 0.0554(12) Uani d . 1
H H16A 0.5327 1.0062 0.4584 0.067 Uiso calc R 1
C C17A 0.53426(14) 0.8761(4) 0.3788(2) 0.0494(10) Uani d . 1
H H17A 0.5250 0.9387 0.3451 0.059 Uiso calc R 1
C C18A 0.54378(12) 0.7425(4) 0.36141(19) 0.0411(9) Uani d . 1
H H18A 0.5418 0.7169 0.3156 0.049 Uiso calc R 1
C C19A 0.67093(12) 0.7811(4) 0.32065(17) 0.0344(8) Uani d . 1
C C20A 0.70654(14) 0.8168(4) 0.2917(2) 0.0464(10) Uani d . 1
H H20A 0.7282 0.7541 0.2920 0.056 Uiso calc R 1
C C21A 0.71033(16) 0.9453(5) 0.2622(2) 0.0576(12) Uani d . 1
H H21A 0.7346 0.9683 0.2429 0.069 Uiso calc R 1
C C22A 0.67889(17) 1.0392(5) 0.2611(2) 0.0578(13) Uani d . 1
H H22A 0.6816 1.1253 0.2410 0.069 Uiso calc R 1
C C23A 0.64358(16) 1.0048(4) 0.2898(2) 0.0554(11) Uani d . 1
H H23A 0.6223 1.0686 0.2898 0.066 Uiso calc R 1
C C24A 0.63894(13) 0.8757(4) 0.3191(2) 0.0470(10) Uani d . 1
H H24A 0.6144 0.8528 0.3376 0.056 Uiso calc R 1
C C25A 0.71204(11) 0.5190(4) 0.36574(16) 0.0327(7) Uani d . 1
C C26A 0.71401(12) 0.3829(4) 0.34414(18) 0.0385(8) Uani d . 1
H H26A 0.6906 0.3397 0.3241 0.046 Uiso calc R 1
C C27A 0.75104(14) 0.3113(5) 0.3526(2) 0.0512(11) Uani d . 1
H H27A 0.7522 0.2199 0.3384 0.061 Uiso calc R 1
C C28A 0.78568(14) 0.3740(5) 0.3815(2) 0.0548(12) Uani d . 1
H H28A 0.8104 0.3257 0.3867 0.066 Uiso calc R 1
C C29A 0.78394(12) 0.5083(5) 0.4029(2) 0.0495(10) Uani d . 1
H H29A 0.8077 0.5513 0.4219 0.059 Uiso calc R 1
C C30A 0.74724(12) 0.5807(4) 0.39647(19) 0.0415(9) Uani d . 1
H H30A 0.7461 0.6706 0.4127 0.050 Uiso calc R 1
C C31A 0.66114(10) 0.6542(4) 0.45168(16) 0.0303(7) Uani d . 1
C C32A 0.66084(14) 0.7871(4) 0.4774(2) 0.0497(11) Uani d . 1
H H32A 0.6599 0.8620 0.4477 0.060 Uiso calc R 1
C C33A 0.66190(16) 0.8089(5) 0.5473(2) 0.0605(13) Uani d . 1
H H33A 0.6620 0.8987 0.5641 0.073 Uiso calc R 1
C C34A 0.66280(14) 0.7008(5) 0.5921(2) 0.0501(11) Uani d . 1
H H34A 0.6626 0.7165 0.6389 0.060 Uiso calc R 1
C C35A 0.66398(14) 0.5686(5) 0.5671(2) 0.0482(10) Uani d . 1
H H35A 0.6651 0.4942 0.5971 0.058 Uiso calc R 1
C C36A 0.66343(12) 0.5459(4) 0.49756(18) 0.0393(9) Uani d . 1
H H36A 0.6646 0.4560 0.4813 0.047 Uiso calc R 1
C C1B 0.05914(12) 0.2362(4) 0.4988(2) 0.0425(9) Uani d . 1
C C2B 0.05810(14) 0.1207(5) 0.5397(2) 0.0533(11) Uani d . 1
H H2BA 0.0811 0.0639 0.5458 0.064 Uiso calc R 1
C C3B 0.02247(15) 0.0891(5) 0.5721(3) 0.0638(13) Uani d . 1
H H3BA 0.0221 0.0125 0.6006 0.077 Uiso calc R 1
C C4B -0.01157(15) 0.1697(5) 0.5620(3) 0.0634(13) Uani d . 1
H H4BA -0.0351 0.1484 0.5837 0.076 Uiso calc R 1
C C5B -0.01115(15) 0.2824(5) 0.5197(3) 0.0630(13) Uani d . 1
H H5BA -0.0347 0.3363 0.5121 0.076 Uiso calc R 1
C C6B 0.02409(14) 0.3163(5) 0.4885(2) 0.0565(12) Uani d . 1
H H6BA 0.0242 0.3935 0.4603 0.068 Uiso calc R 1
C C7B 0.14567(13) 0.1716(4) 0.4866(2) 0.0453(10) Uani d . 1
C C8B 0.16975(15) 0.0909(5) 0.4476(3) 0.0592(12) Uani d . 1
H H8BA 0.1633 0.0827 0.4008 0.071 Uiso calc R 1
C C9B 0.20328(17) 0.0228(5) 0.4781(3) 0.0754(16) Uani d . 1
H H9BA 0.2192 -0.0319 0.4515 0.090 Uiso calc R 1
C C10B 0.21379(17) 0.0339(6) 0.5468(3) 0.0754(16) Uani d . 1
H H10B 0.2366 -0.0131 0.5667 0.090 Uiso calc R 1
C C11B 0.19043(15) 0.1150(6) 0.5864(3) 0.0657(14) Uani d . 1
H H11B 0.1976 0.1241 0.6330 0.079 Uiso calc R 1
C C12B 0.15613(14) 0.1833(5) 0.5566(2) 0.0550(11) Uani d . 1
H H12B 0.1401 0.2370 0.5834 0.066 Uiso calc R 1
C C13B 0.08413(14) 0.2143(5) 0.3664(2) 0.0491(10) Uani d . 1
C C14B 0.06385(14) 0.3073(6) 0.3226(2) 0.0590(12) Uani d . 1
H H14B 0.0606 0.3979 0.3368 0.071 Uiso calc R 1
C C15B 0.04821(18) 0.2684(8) 0.2576(3) 0.0868(19) Uani d . 1
H H15B 0.0345 0.3326 0.2288 0.104 Uiso calc R 1
C C16B 0.0529(2) 0.1360(10) 0.2361(4) 0.113(3) Uani d . 1
H H16B 0.0435 0.1099 0.1920 0.136 Uiso calc R 1
C C17B 0.0719(3) 0.0414(8) 0.2807(4) 0.113(3) Uani d . 1
H H17B 0.0747 -0.0493 0.2663 0.135 Uiso calc R 1
C C18B 0.08667(19) 0.0780(6) 0.3461(3) 0.0788(17) Uani d . 1
H H18B 0.0982 0.0118 0.3761 0.095 Uiso calc R 1
C C19B 0.12408(13) 0.5896(4) 0.2806(2) 0.0456(10) Uani d . 1
C C20B 0.13866(16) 0.5879(5) 0.2165(2) 0.0575(12) Uani d . 1
H H20B 0.1643 0.5491 0.2110 0.069 Uiso calc R 1
C C21B 0.1161(2) 0.6425(6) 0.1599(3) 0.0782(18) Uani d . 1
H H21B 0.1269 0.6431 0.1174 0.094 Uiso calc R 1
C C22B 0.0780(2) 0.6952(6) 0.1671(4) 0.091(2) Uani d . 1
H H22B 0.0628 0.7316 0.1293 0.109 Uiso calc R 1
C C23B 0.06196(18) 0.6950(6) 0.2298(4) 0.0830(19) Uani d . 1
H H23B 0.0355 0.7279 0.2339 0.100 Uiso calc R 1
C C24B 0.08538(15) 0.6454(5) 0.2876(3) 0.0636(13) Uani d . 1
H H24B 0.0751 0.6498 0.3304 0.076 Uiso calc R 1
C C25B 0.19929(12) 0.6259(4) 0.37062(19) 0.0377(8) Uani d . 1
C C26B 0.22094(13) 0.6197(5) 0.4337(2) 0.0512(11) Uani d . 1
H H26B 0.2107 0.5672 0.4683 0.061 Uiso calc R 1
C C27B 0.25775(14) 0.6905(5) 0.4465(2) 0.0558(12) Uani d . 1
H H27B 0.2720 0.6851 0.4894 0.067 Uiso calc R 1
C C28B 0.27308(13) 0.7685(5) 0.3959(2) 0.0515(11) Uani d . 1
H H28B 0.2981 0.8142 0.4041 0.062 Uiso calc R 1
C C29B 0.25156(14) 0.7789(5) 0.3336(2) 0.0516(11) Uani d . 1
H H29B 0.2618 0.8329 0.2996 0.062 Uiso calc R 1
C C30B 0.21454(13) 0.7096(4) 0.3204(2) 0.0442(9) Uani d . 1
H H30B 0.1999 0.7188 0.2781 0.053 Uiso calc R 1
C C31B 0.17618(13) 0.3599(4) 0.3222(2) 0.0418(9) Uani d . 1
C C32B 0.21348(14) 0.3110(5) 0.3522(2) 0.0540(11) Uani d . 1
H H32B 0.2270 0.3587 0.3885 0.065 Uiso calc R 1
C C33B 0.23053(17) 0.1902(5) 0.3278(3) 0.0648(14) Uani d . 1
H H33B 0.2556 0.1582 0.3475 0.078 Uiso calc R 1
C C34B 0.21048(18) 0.1187(5) 0.2750(3) 0.0664(14) Uani d . 1
H H34B 0.2221 0.0384 0.2591 0.080 Uiso calc R 1
C C35B 0.17367(17) 0.1640(5) 0.2456(3) 0.0624(13) Uani d . 1
H H35B 0.1602 0.1142 0.2100 0.075 Uiso calc R 1
C C36B 0.15628(15) 0.2845(5) 0.2686(2) 0.0525(11) Uani d . 1
H H36B 0.1312 0.3152 0.2482 0.063 Uiso calc R 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'
Cl Cl 0.1484 0.1585 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
P2A Pt1A P1A 99.12(3) y
P2A Pt1A Cl2A 89.82(3) y
P1A Pt1A Cl2A 170.41(3) y
P2A Pt1A Cl1A 175.57(3) y
P1A Pt1A Cl1A 83.73(3) y
Cl2A Pt1A Cl1A 87.56(3) y
P2B Pt1B P1B 99.93(4) y
P2B Pt1B Cl2B 87.35(4) y
P1B Pt1B Cl2B 167.58(4) y
P2B Pt1B Cl1B 171.13(4) y
P1B Pt1B Cl1B 86.25(4) y
Cl2B Pt1B Cl1B 87.73(4) y
C25A P1A C19A 108.55(17) y
C25A P1A C31A 98.78(15) y
C19A P1A C31A 103.97(16) y
C25A P1A Pt1A 110.36(12) y
C19A P1A Pt1A 110.60(12) .
C31A P1A Pt1A 123.37(12) .
C7A P2A C13A 111.55(16) y
C7A P2A C1A 99.94(16) y
C13A P2A C1A 103.55(16) y
C7A P2A Pt1A 113.25(12) ?
C13A P2A Pt1A 110.06(11) y
C1A P2A Pt1A 117.81(11) ?
C19B P1B C25B 106.55(18) ?
C19B P1B C31B 103.88(19) ?
C25B P1B C31B 100.55(18) ?
C19B P1B Pt1B 116.72(15) ?
C25B P1B Pt1B 108.94(12) ?
C31B P1B Pt1B 118.49(12) ?
C13B P2B C7B 110.8(2) ?
C13B P2B C1B 99.71(19) ?
C7B P2B C1B 106.01(19) ?
C13B P2B Pt1B 114.37(15) ?
C7B P2B Pt1B 111.06(14) ?
C1B P2B Pt1B 114.10(14) ?
C6A C1A C2A 118.1(4) ?
C6A C1A P2A 122.9(3) ?
C2A C1A P2A 118.8(3) ?
C3A C2A C1A 120.8(4) ?
C3A C2A H2AA 119.6 ?
C1A C2A H2AA 119.6 ?
C4A C3A C2A 120.3(4) ?
C4A C3A H3AA 119.8 ?
C2A C3A H3AA 119.8 ?
C5A C4A C3A 119.8(4) ?
C5A C4A H4AA 120.1 ?
C3A C4A H4AA 120.1 ?
C4A C5A C6A 120.6(4) ?
C4A C5A H5AA 119.7 ?
C6A C5A H5AA 119.7 ?
C1A C6A C5A 120.4(4) ?
C1A C6A H6AA 119.8 ?
C5A C6A H6AA 119.8 ?
C8A C7A C12A 119.0(3) ?
C8A C7A P2A 119.5(3) ?
C12A C7A P2A 121.3(3) ?
C7A C8A C9A 120.1(3) ?
C7A C8A H8AA 119.9 ?
C9A C8A H8AA 119.9 ?
C10A C9A C8A 120.4(4) ?
C10A C9A H9AA 119.8 ?
C8A C9A H9AA 119.8 ?
C11A C10A C9A 119.8(4) ?
C11A C10A H10A 120.1 ?
C9A C10A H10A 120.1 ?
C10A C11A C12A 120.6(4) ?
C10A C11A H11A 119.7 ?
C12A C11A H11A 119.7 ?
C11A C12A C7A 120.0(4) ?
C11A C12A H12A 120.0 ?
C7A C12A H12A 120.0 ?
C18A C13A C14A 118.5(3) ?
C18A C13A P2A 115.1(3) ?
C14A C13A P2A 126.4(3) ?
C15A C14A C13A 119.6(4) ?
C15A C14A H14A 120.2 ?
C13A C14A H14A 120.2 ?
C16A C15A C14A 121.1(4) ?
C16A C15A H15A 119.5 ?
C14A C15A H15A 119.5 ?
C15A C16A C17A 119.9(4) ?
C15A C16A H16A 120.1 ?
C17A C16A H16A 120.1 ?
C16A C17A C18A 119.6(4) ?
C16A C17A H17A 120.2 ?
C18A C17A H17A 120.2 ?
C17A C18A C13A 121.4(4) ?
C17A C18A H18A 119.3 ?
C13A C18A H18A 119.3 ?
C20A C19A C24A 118.8(4) ?
C20A C19A P1A 123.2(3) ?
C24A C19A P1A 117.9(3) ?
C19A C20A C21A 120.3(4) ?
C19A C20A H20A 119.8 ?
C21A C20A H20A 119.8 ?
C22A C21A C20A 120.9(4) ?
C22A C21A H21A 119.5 ?
C20A C21A H21A 119.5 ?
C23A C22A C21A 119.1(4) ?
C23A C22A H22A 120.5 ?
C21A C22A H22A 120.5 ?
C22A C23A C24A 120.9(4) ?
C22A C23A H23A 119.5 ?
C24A C23A H23A 119.5 ?
C19A C24A C23A 119.9(4) ?
C19A C24A H24A 120.1 ?
C23A C24A H24A 120.1 ?
C26A C25A C30A 119.0(3) ?
C26A C25A P1A 121.2(3) ?
C30A C25A P1A 119.6(3) ?
C25A C26A C27A 119.8(4) ?
C25A C26A H26A 120.1 ?
C27A C26A H26A 120.1 ?
C28A C27A C26A 120.6(4) ?
C28A C27A H27A 119.7 ?
C26A C27A H27A 119.7 ?
C27A C28A C29A 119.8(4) ?
C27A C28A H28A 120.1 ?
C29A C28A H28A 120.1 ?
C28A C29A C30A 120.6(4) ?
C28A C29A H29A 119.7 ?
C30A C29A H29A 119.7 ?
C29A C30A C25A 120.0(4) ?
C29A C30A H30A 120.0 ?
C25A C30A H30A 120.0 ?
C36A C31A C32A 118.1(3) ?
C36A C31A P1A 117.8(3) ?
C32A C31A P1A 123.9(3) ?
C31A C32A C33A 120.2(4) ?
C31A C32A H32A 119.9 ?
C33A C32A H32A 119.9 ?
C34A C33A C32A 121.2(4) ?
C34A C33A H33A 119.4 ?
C32A C33A H33A 119.4 ?
C33A C34A C35A 119.0(4) ?
C33A C34A H34A 120.5 ?
C35A C34A H34A 120.5 ?
C34A C35A C36A 120.2(4) ?
C34A C35A H35A 119.9 ?
C36A C35A H35A 119.9 ?
C35A C36A C31A 121.3(4) ?
C35A C36A H36A 119.4 ?
C31A C36A H36A 119.4 ?
C2B C1B C6B 118.9(4) ?
C2B C1B P2B 122.6(3) ?
C6B C1B P2B 118.2(3) ?
C1B C2B C3B 120.0(4) ?
C1B C2B H2BA 120.0 ?
C3B C2B H2BA 120.0 ?
C4B C3B C2B 120.3(5) ?
C4B C3B H3BA 119.8 ?
C2B C3B H3BA 119.8 ?
C3B C4B C5B 119.9(4) ?
C3B C4B H4BA 120.0 ?
C5B C4B H4BA 120.0 ?
C4B C5B C6B 120.3(5) ?
C4B C5B H5BA 119.8 ?
C6B C5B H5BA 119.8 ?
C5B C6B C1B 120.5(4) ?
C5B C6B H6BA 119.8 ?
C1B C6B H6BA 119.8 ?
C8B C7B C12B 119.1(4) ?
C8B C7B P2B 123.5(4) ?
C12B C7B P2B 117.2(3) ?
C9B C8B C7B 119.9(5) ?
C9B C8B H8BA 120.0 ?
C7B C8B H8BA 120.0 ?
C10B C9B C8B 121.4(5) ?
C10B C9B H9BA 119.3 ?
C8B C9B H9BA 119.3 ?
C9B C10B C11B 119.5(5) ?
C9B C10B H10B 120.2 ?
C11B C10B H10B 120.2 ?
C10B C11B C12B 119.9(5) ?
C10B C11B H11B 120.1 ?
C12B C11B H11B 120.1 ?
C11B C12B C7B 120.2(5) ?
C11B C12B H12B 119.9 ?
C7B C12B H12B 119.9 ?
C14B C13B C18B 118.7(5) ?
C14B C13B P2B 117.1(3) ?
C18B C13B P2B 124.0(4) ?
C13B C14B C15B 121.3(5) ?
C13B C14B H14B 119.4 ?
C15B C14B H14B 119.4 ?
C16B C15B C14B 119.9(7) ?
C16B C15B H15B 120.1 ?
C14B C15B H15B 120.1 ?
C15B C16B C17B 119.0(7) ?
C15B C16B H16B 120.5 ?
C17B C16B H16B 120.5 ?
C16B C17B C18B 121.7(7) ?
C16B C17B H17B 119.2 ?
C18B C17B H17B 119.2 ?
C17B C18B C13B 119.2(7) ?
C17B C18B H18B 120.4 ?
C13B C18B H18B 120.4 ?
C20B C19B C24B 118.3(4) ?
C20B C19B P1B 122.2(4) ?
C24B C19B P1B 119.5(4) ?
C19B C20B C21B 121.8(5) ?
C19B C20B H20B 119.1 ?
C21B C20B H20B 119.1 ?
C22B C21B C20B 119.4(6) ?
C22B C21B H21B 120.3 ?
C20B C21B H21B 120.3 ?
C21B C22B C23B 120.5(5) ?
C21B C22B H22B 119.7 ?
C23B C22B H22B 119.7 ?
C22B C23B C24B 120.2(6) ?
C22B C23B H23B 119.9 ?
C24B C23B H23B 119.9 ?
C19B C24B C23B 119.7(5) ?
C19B C24B H24B 120.1 ?
C23B C24B H24B 120.1 ?
C26B C25B C30B 118.3(4) ?
C26B C25B P1B 118.7(3) ?
C30B C25B P1B 123.0(3) ?
C25B C26B C27B 121.0(4) ?
C25B C26B H26B 119.5 ?
C27B C26B H26B 119.5 ?
C28B C27B C26B 120.0(4) ?
C28B C27B H27B 120.0 ?
C26B C27B H27B 120.0 ?
C29B C28B C27B 119.8(4) ?
C29B C28B H28B 120.1 ?
C27B C28B H28B 120.1 ?
C28B C29B C30B 120.6(4) ?
C28B C29B H29B 119.7 ?
C30B C29B H29B 119.7 ?
C29B C30B C25B 120.1(4) ?
C29B C30B H30B 119.9 ?
C25B C30B H30B 119.9 ?
C32B C31B C36B 118.6(4) ?
C32B C31B P1B 120.1(3) ?
C36B C31B P1B 121.3(3) ?
C31B C32B C33B 119.9(5) ?
C31B C32B H32B 120.1 ?
C33B C32B H32B 120.1 ?
C34B C33B C32B 120.3(5) ?
C34B C33B H33B 119.8 ?
C32B C33B H33B 119.8 ?
C35B C34B C33B 120.7(5) ?
C35B C34B H34B 119.7 ?
C33B C34B H34B 119.7 ?
C34B C35B C36B 120.1(5) ?
C34B C35B H35B 120.0 ?
C36B C35B H35B 120.0 ?
C35B C36B C31B 120.5(5) ?
C35B C36B H36B 119.8 ?
C31B C36B H36B 119.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1A P2A 2.2515(8) y
Pt1A P1A 2.2713(9) y
Pt1A Cl2A 2.3294(9) y
Pt1A Cl1A 2.3632(8) y
Pt1B P2B 2.2605(10) y
Pt1B P1B 2.2713(10) y
Pt1B Cl2B 2.3483(10) y
Pt1B Cl1B 2.3509(11) y
P1A C25A 1.831(4) y
P1A C19A 1.832(4) y
P1A C31A 1.835(3) y
P2A C7A 1.817(3) y
P2A C13A 1.817(3) y
P2A C1A 1.838(4) y
P1B C19B 1.816(4) y
P1B C25B 1.838(4) y
P1B C31B 1.840(4) y
P2B C13B 1.822(4) y
P2B C7B 1.825(4) y
P2B C1B 1.827(4) y
C1A C6A 1.381(5) ?
C1A C2A 1.388(5) ?
C2A C3A 1.383(6) ?
C2A H2AA 0.9300 ?
C3A C4A 1.372(6) ?
C3A H3AA 0.9300 ?
C4A C5A 1.356(7) ?
C4A H4AA 0.9300 ?
C5A C6A 1.396(6) ?
C5A H5AA 0.9300 ?
C6A H6AA 0.9300 ?
C7A C8A 1.387(5) ?
C7A C12A 1.396(5) ?
C8A C9A 1.387(5) ?
C8A H8AA 0.9300 ?
C9A C10A 1.374(6) ?
C9A H9AA 0.9300 ?
C10A C11A 1.374(6) ?
C10A H10A 0.9300 ?
C11A C12A 1.382(5) ?
C11A H11A 0.9300 ?
C12A H12A 0.9300 ?
C13A C18A 1.388(5) ?
C13A C14A 1.396(5) ?
C14A C15A 1.384(5) ?
C14A H14A 0.9300 ?
C15A C16A 1.372(6) ?
C15A H15A 0.9300 ?
C16A C17A 1.377(6) ?
C16A H16A 0.9300 ?
C17A C18A 1.379(5) ?
C17A H17A 0.9300 ?
C18A H18A 0.9300 ?
C19A C20A 1.375(5) ?
C19A C24A 1.387(5) ?
C20A C21A 1.383(6) ?
C20A H20A 0.9300 ?
C21A C22A 1.369(7) ?
C21A H21A 0.9300 ?
C22A C23A 1.362(7) ?
C22A H22A 0.9300 ?
C23A C24A 1.389(6) ?
C23A H23A 0.9300 ?
C24A H24A 0.9300 ?
C25A C26A 1.388(5) ?
C25A C30A 1.389(5) ?
C26A C27A 1.391(5) ?
C26A H26A 0.9300 ?
C27A C28A 1.366(6) ?
C27A H27A 0.9300 ?
C28A C29A 1.370(6) ?
C28A H28A 0.9300 ?
C29A C30A 1.384(6) ?
C29A H29A 0.9300 ?
C30A H30A 0.9300 ?
C31A C36A 1.380(5) ?
C31A C32A 1.383(5) ?
C32A C33A 1.386(5) ?
C32A H32A 0.9300 ?
C33A C34A 1.366(6) ?
C33A H33A 0.9300 ?
C34A C35A 1.373(6) ?
C34A H34A 0.9300 ?
C35A C36A 1.380(5) ?
C35A H35A 0.9300 ?
C36A H36A 0.9300 ?
C1B C2B 1.379(6) ?
C1B C6B 1.383(6) ?
C2B C3B 1.401(6) ?
C2B H2BA 0.9300 ?
C3B C4B 1.359(7) ?
C3B H3BA 0.9300 ?
C4B C5B 1.372(7) ?
C4B H4BA 0.9300 ?
C5B C6B 1.383(6) ?
C5B H5BA 0.9300 ?
C6B H6BA 0.9300 ?
C7B C8B 1.380(6) ?
C7B C12B 1.393(6) ?
C8B C9B 1.373(7) ?
C8B H8BA 0.9300 ?
C9B C10B 1.369(8) ?
C9B H9BA 0.9300 ?
C10B C11B 1.375(7) ?
C10B H10B 0.9300 ?
C11B C12B 1.388(6) ?
C11B H11B 0.9300 ?
C12B H12B 0.9300 ?
C13B C14B 1.378(6) ?
C13B C18B 1.384(6) ?
C14B C15B 1.387(7) ?
C14B H14B 0.9300 ?
C15B C16B 1.363(10) ?
C15B H15B 0.9300 ?
C16B C17B 1.379(11) ?
C16B H16B 0.9300 ?
C17B C18B 1.382(9) ?
C17B H17B 0.9300 ?
C18B H18B 0.9300 ?
C19B C20B 1.379(6) ?
C19B C24B 1.389(6) ?
C20B C21B 1.388(6) ?
C20B H20B 0.9300 ?
C21B C22B 1.358(9) ?
C21B H21B 0.9300 ?
C22B C23B 1.374(9) ?
C22B H22B 0.9300 ?
C23B C24B 1.401(7) ?
C23B H23B 0.9300 ?
C24B H24B 0.9300 ?
C25B C26B 1.378(5) ?
C25B C30B 1.396(5) ?
C26B C27B 1.388(6) ?
C26B H26B 0.9300 ?
C27B C28B 1.372(6) ?
C27B H27B 0.9300 ?
C28B C29B 1.366(6) ?
C28B H28B 0.9300 ?
C29B C30B 1.387(6) ?
C29B H29B 0.9300 ?
C30B H30B 0.9300 ?
C31B C32B 1.392(6) ?
C31B C36B 1.398(6) ?
C32B C33B 1.396(6) ?
C32B H32B 0.9300 ?
C33B C34B 1.368(7) ?
C33B H33B 0.9300 ?
C34B C35B 1.363(7) ?
C34B H34B 0.9300 ?
C35B C36B 1.388(6) ?
C35B H35B 0.9300 ?
C36B H36B 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C11A H11A Cl2A 4_566 0.93 2.7529 3.486(4) 136 yes
C8B H8BA Cg1 1_555 0.93 2.7493 3.395(6) 127 yes
C36B H36B Cg2 1_555 0.93 2.7481 3.185(6) 110 yes
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
P2A Pt1A P1A C25A 122.79(12)
Cl1A Pt1A P1A C25A -60.63(12)
P2A Pt1A P1A C19A -117.08(13)
Cl1A Pt1A P1A C19A 59.50(13)
P2A Pt1A P1A C31A 6.73(14)
Cl1A Pt1A P1A C31A -176.69(14)
P1A Pt1A P2A C7A -73.02(13)
Cl2A Pt1A P2A C7A 103.49(13)
P1A Pt1A P2A C13A 52.61(13)
Cl2A Pt1A P2A C13A -130.88(13)
P1A Pt1A P2A C1A 170.94(13)
Cl2A Pt1A P2A C1A -12.55(14)
P2B Pt1B P1B C19B 100.76(15)
Cl2B Pt1B P1B C19B -134.0(2)
Cl1B Pt1B P1B C19B -72.83(15)
P2B Pt1B P1B C25B -138.59(13)
Cl2B Pt1B P1B C25B -13.4(2)
Cl1B Pt1B P1B C25B 47.82(14)
P2B Pt1B P1B C31B -24.60(16)
Cl2B Pt1B P1B C31B 100.6(2)
Cl1B Pt1B P1B C31B 161.81(16)
P1B Pt1B P2B C13B -42.16(17)
Cl2B Pt1B P2B C13B 147.97(17)
P1B Pt1B P2B C7B 84.17(15)
Cl2B Pt1B P2B C7B -85.69(15)
P1B Pt1B P2B C1B -156.08(15)
Cl2B Pt1B P2B C1B 34.05(15)
C7A P2A C1A C6A 129.2(3)
C13A P2A C1A C6A 14.0(3)
Pt1A P2A C1A C6A -107.8(3)
C7A P2A C1A C2A -45.9(3)
C13A P2A C1A C2A -161.1(3)
Pt1A P2A C1A C2A 77.1(3)
C6A C1A C2A C3A -0.1(6)
P2A C1A C2A C3A 175.2(3)
C1A C2A C3A C4A -0.4(6)
C2A C3A C4A C5A 0.7(7)
C3A C4A C5A C6A -0.5(7)
C2A C1A C6A C5A 0.4(6)
P2A C1A C6A C5A -174.7(3)
C4A C5A C6A C1A -0.1(7)
C13A P2A C7A C8A -138.5(3)
C1A P2A C7A C8A 112.6(3)
Pt1A P2A C7A C8A -13.6(3)
C13A P2A C7A C12A 47.1(4)
C1A P2A C7A C12A -61.8(3)
Pt1A P2A C7A C12A 172.0(3)
C12A C7A C8A C9A -3.0(6)
P2A C7A C8A C9A -177.6(3)
C7A C8A C9A C10A -0.5(6)
C8A C9A C10A C11A 3.2(7)
C9A C10A C11A C12A -2.1(7)
C10A C11A C12A C7A -1.5(7)
C8A C7A C12A C11A 4.0(6)
P2A C7A C12A C11A 178.5(3)
C7A P2A C13A C18A -179.0(3)
C1A P2A C13A C18A -72.4(3)
Pt1A P2A C13A C18A 54.4(3)
C7A P2A C13A C14A 2.8(4)
C1A P2A C13A C14A 109.4(3)
Pt1A P2A C13A C14A -123.8(3)
C18A C13A C14A C15A 0.1(6)
P2A C13A C14A C15A 178.2(3)
C13A C14A C15A C16A 1.3(7)
C14A C15A C16A C17A -0.8(7)
C15A C16A C17A C18A -1.0(7)
C16A C17A C18A C13A 2.4(7)
C14A C13A C18A C17A -1.9(6)
P2A C13A C18A C17A 179.8(3)
C25A P1A C19A C20A 8.1(4)
C31A P1A C19A C20A 112.5(3)
Pt1A P1A C19A C20A -113.1(3)
C25A P1A C19A C24A -172.6(3)
C31A P1A C19A C24A -68.2(3)
Pt1A P1A C19A C24A 66.2(3)
C24A C19A C20A C21A 0.6(6)
P1A C19A C20A C21A 179.9(3)
C19A C20A C21A C22A -0.1(7)
C20A C21A C22A C23A 0.3(7)
C21A C22A C23A C24A -1.0(7)
C20A C19A C24A C23A -1.3(6)
P1A C19A C24A C23A 179.4(3)
C22A C23A C24A C19A 1.5(7)
C19A P1A C25A C26A -131.4(3)
C31A P1A C25A C26A 120.5(3)
Pt1A P1A C25A C26A -10.1(3)
C19A P1A C25A C30A 53.5(3)
C31A P1A C25A C30A -54.5(3)
Pt1A P1A C25A C30A 174.9(3)
C30A C25A C26A C27A -0.9(5)
P1A C25A C26A C27A -176.0(3)
C25A C26A C27A C28A -0.5(6)
C26A C27A C28A C29A 0.5(7)
C27A C28A C29A C30A 1.1(6)
C28A C29A C30A C25A -2.5(6)
C26A C25A C30A C29A 2.4(5)
P1A C25A C30A C29A 177.5(3)
C25A P1A C31A C36A -56.1(3)
C19A P1A C31A C36A -167.8(3)
Pt1A P1A C31A C36A 65.5(3)
C25A P1A C31A C32A 118.4(4)
C19A P1A C31A C32A 6.7(4)
Pt1A P1A C31A C32A -120.0(3)
C36A C31A C32A C33A -1.4(6)
P1A C31A C32A C33A -175.9(4)
C31A C32A C33A C34A -0.7(8)
C32A C33A C34A C35A 2.1(8)
C33A C34A C35A C36A -1.3(7)
C34A C35A C36A C31A -0.9(7)
C32A C31A C36A C35A 2.2(6)
P1A C31A C36A C35A 177.0(3)
C13B P2B C1B C2B 99.6(4)
C7B P2B C1B C2B -15.5(4)
Pt1B P2B C1B C2B -138.0(3)
C13B P2B C1B C6B -73.9(4)
C7B P2B C1B C6B 171.0(4)
Pt1B P2B C1B C6B 48.5(4)
C6B C1B C2B C3B -2.4(7)
P2B C1B C2B C3B -175.8(4)
C1B C2B C3B C4B 1.7(8)
C2B C3B C4B C5B 0.2(8)
C3B C4B C5B C6B -1.4(8)
C4B C5B C6B C1B 0.7(8)
C2B C1B C6B C5B 1.2(7)
P2B C1B C6B C5B 174.9(4)
C13B P2B C7B C8B 22.6(4)
C1B P2B C7B C8B 129.9(4)
Pt1B P2B C7B C8B -105.7(4)
C13B P2B C7B C12B -163.2(3)
C1B P2B C7B C12B -56.0(4)
Pt1B P2B C7B C12B 68.5(3)
C12B C7B C8B C9B 0.5(7)
P2B C7B C8B C9B 174.6(4)
C7B C8B C9B C10B -0.6(8)
C8B C9B C10B C11B -0.2(9)
C9B C10B C11B C12B 0.9(8)
C10B C11B C12B C7B -1.0(7)
C8B C7B C12B C11B 0.3(7)
P2B C7B C12B C11B -174.2(4)
C7B P2B C13B C14B -156.4(3)
C1B P2B C13B C14B 92.2(4)
Pt1B P2B C13B C14B -29.9(4)
C7B P2B C13B C18B 27.6(5)
C1B P2B C13B C18B -83.7(4)
Pt1B P2B C13B C18B 154.1(4)
C18B C13B C14B C15B -3.7(7)
P2B C13B C14B C15B -179.9(4)
C13B C14B C15B C16B -0.2(9)
C14B C15B C16B C17B 2.5(11)
C15B C16B C17B C18B -0.9(12)
C16B C17B C18B C13B -3.0(11)
C14B C13B C18B C17B 5.2(8)
P2B C13B C18B C17B -178.9(5)
C25B P1B C19B C20B 66.2(4)
C31B P1B C19B C20B -39.5(4)
Pt1B P1B C19B C20B -171.9(3)
C25B P1B C19B C24B -115.4(4)
C31B P1B C19B C24B 138.9(4)
Pt1B P1B C19B C24B 6.5(4)
C24B C19B C20B C21B 1.3(7)
P1B C19B C20B C21B 179.7(4)
C19B C20B C21B C22B -2.2(8)
C20B C21B C22B C23B 0.2(9)
C21B C22B C23B C24B 2.6(9)
C20B C19B C24B C23B 1.5(7)
P1B C19B C24B C23B -177.0(4)
C22B C23B C24B C19B -3.4(8)
C19B P1B C25B C26B 162.3(3)
C31B P1B C25B C26B -89.7(4)
Pt1B P1B C25B C26B 35.5(4)
C19B P1B C25B C30B -20.9(4)
C31B P1B C25B C30B 87.2(4)
Pt1B P1B C25B C30B -147.6(3)
C30B C25B C26B C27B -2.3(7)
P1B C25B C26B C27B 174.7(4)
C25B C26B C27B C28B 0.1(7)
C26B C27B C28B C29B 1.5(7)
C27B C28B C29B C30B -0.9(7)
C28B C29B C30B C25B -1.3(7)
C26B C25B C30B C29B 2.9(6)
P1B C25B C30B C29B -174.0(3)
C19B P1B C31B C32B 151.0(3)
C25B P1B C31B C32B 40.8(4)
Pt1B P1B C31B C32B -77.7(3)
C19B P1B C31B C36B -31.0(4)
C25B P1B C31B C36B -141.1(3)
Pt1B P1B C31B C36B 100.4(3)
C36B C31B C32B C33B 1.1(6)
P1B C31B C32B C33B 179.2(3)
C31B C32B C33B C34B -0.8(7)
C32B C33B C34B C35B 0.0(8)
C33B C34B C35B C36B 0.6(7)
C34B C35B C36B C31B -0.3(7)
C32B C31B C36B C35B -0.5(6)
P1B C31B C36B C35B -178.6(3)
