 
#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 2000-12-21 at 14:23:28
#  Using CIFtbx version 2.6.2 16 Jun 1998
 
#  Dictionary name : cif_core.dic
#  Dictionary vers : 2.1
#  Request file    : c:\wingx\files\archive.dat
#  CIF files read  : ljf033 dreduc sortav struct absorb
 
 
data_ljf033
 
_audit_creation_date            2000-12-21T14:23:28-00:00
_audit_creation_method         'WinGX routine CIF_UPDATE'
_audit_conform_dict_name        cif_core.dic
_audit_conform_dict_version     2.1
_audit_conform_dict_location    ftp://ftp.iucr.org/cifdics/cif_core.dic
_publ_requested_category        FM
 
#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#
 
_chemical_name_systematic
;
 ?
;
_chemical_formula_moiety                '(C80 H76 Cl4 O4 P4 Pt2), 7(C H2 Cl2)'
_chemical_formula_sum                   'C87 H90 Cl18 O4 P4 Pt2'
_chemical_formula_weight                2351.75
_chemical_compound_source               'synthesis as described'
 
#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#
 
_symmetry_cell_setting                  monoclinic
_symmetry_space_group_name_H-M          'P 21/n'
_symmetry_space_group_name_Hall         '-P 2yn'
_symmetry_Int_Tables_number             14
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'
 
_cell_length_a                          14.5506(1)
_cell_length_b                          23.0337(2)
_cell_length_c                          15.0485(1)
_cell_angle_alpha                       90
_cell_angle_beta                        98.0901(6)
_cell_angle_gamma                       90
_cell_volume                            4993.37(6)
_cell_formula_units_Z                   2
_cell_measurement_temperature           150(2)
_cell_measurement_reflns_used           83440
_cell_measurement_theta_min             2.037
_cell_measurement_theta_max             30.034
_cell_measurement_wavelength            0.71073
 
#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#
 
_exptl_crystal_description              prism
_exptl_crystal_colour                   colourless
_exptl_crystal_size_max                 0.5
_exptl_crystal_size_mid                 0.45
_exptl_crystal_size_min                 0.4
_exptl_crystal_density_diffrn           1.564
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    2332
_exptl_special_details
;
Crystals had well developed faces but lost solvent virtually instantaneously
in the air. Attached to a glued fibre under solvent and rapidly transferred
to cold stream.
;
 
#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#
 
_exptl_absorpt_coefficient_mu           3.39
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details
;
 R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_absorpt_correction_T_min         0.119
_exptl_absorpt_correction_T_max         0.16
 
#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#
 
_diffrn_source                          'Enraf Nonius FR590'
_diffrn_ambient_temperature             150(2)
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_type                  MoK\a
_diffrn_radiation_monochromator         graphite
_diffrn_radiation_probe                 x-ray
_diffrn_detector                        'CCD plate'
_diffrn_detector_area_resol_mean        9
_diffrn_orient_matrix_type              'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_ub_11             0.127874E-1
_diffrn_orient_matrix_ub_12             -0.641306E-1
_diffrn_orient_matrix_ub_13             0.232894E-1
_diffrn_orient_matrix_ub_21             -0.148763E-1
_diffrn_orient_matrix_ub_22             -0.165103E-1
_diffrn_orient_matrix_ub_23             -0.372953E-1
_diffrn_orient_matrix_ub_31             0.62957E-1
_diffrn_orient_matrix_ub_32             -0.58501E-2
_diffrn_orient_matrix_ub_33             -0.225225E-1
_diffrn_measurement_device              '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type         KappaCCD
_diffrn_measurement_method              'CCD rotation images, thick slices'
_diffrn_reflns_number                   62058
_diffrn_reflns_av_R_equivalents         0.0442
_diffrn_reflns_av_unetI/netI            0.0368
_diffrn_reflns_limit_h_min              -20
_diffrn_reflns_limit_h_max              20
_diffrn_reflns_limit_k_min              -32
_diffrn_reflns_limit_k_max              32
_diffrn_reflns_limit_l_min              -15
_diffrn_reflns_limit_l_max              21
_diffrn_reflns_theta_min                2.1
_diffrn_reflns_theta_max                30.02
_diffrn_reflns_theta_full               30.02
_diffrn_measured_fraction_theta_full
                                        0.991
_diffrn_measured_fraction_theta_max
                                        0.991
_reflns_number_total                    14472
_reflns_number_gt                       10993
_reflns_threshold_expression            >2sigma(I)
_diffrn_reflns_reduction_process
;
 Scaled and merged with SORTAV
 R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
 Inter-frame scale factors refined, varied by a factor of 5
;
_local_exptl_sortav_scale_factor_max     2.513
_local_exptl_sortav_scale_factor_min     0.523

 
#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#
 
_computing_data_collection              'Collect (Nonius BV, 1997-2000)'
_computing_cell_refinement
                                       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
                             'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_refinement         'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics           'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
                                   'WinGX publication routines (Farrugia, 1999)'
 
#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#
 
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.

Three independent CH2Cl2 solvent molecules were reasonably well behaved, 
though one was disordered over two sites (two of the three atoms shared a 
common site). A fourth 1/2 mole was badly disordered (at 0.079 0.654 0.474) 
and could not be satifactorily modelled with atomic sites. For this reason 
the density for this solvent molecule was removed from the experimental 
structure factors by the SQUEEZE procedure of Spek and Van Sluis. This 
procedure indicated a total of 83 electrons per cell, i.e. a 1/2 molecule 
of CH2CL2 per ASU. The cell contents in the INS file includes this extra
1/2 molecule.
;
_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0510P)²+7.3729P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary            direct
_atom_sites_solution_secondary          difmap
_atom_sites_solution_hydrogens          geom
_refine_ls_hydrogen_treatment           mixed
_refine_ls_extinction_method            none
_refine_ls_number_reflns                14472
_refine_ls_number_parameters            515
_refine_ls_number_restraints            0
_refine_ls_R_factor_all                 0.0508
_refine_ls_R_factor_gt                  0.0351
_refine_ls_wR_factor_ref                0.098
_refine_ls_wR_factor_gt                 0.0933
_refine_ls_goodness_of_fit_ref          1.032
_refine_ls_restrained_S_all             1.032
_refine_ls_shift/su_max                 0.001
_refine_ls_shift/su_mean                0
_refine_diff_density_max                1.502
_refine_diff_density_min                -1.37
_refine_diff_density_rms                0.12
 
#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#
 
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
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 0.020099(9) 0.073481(5) 0.249168(9) 0.02144(4) Uani 1 1 d ' ' ' ' ' '
P1 P 0.02851(7) 0.12266(4) 0.12104(6) 0.02490(18) Uani 1 1 d ' ' ' ' ' '
P2 P 0.04473(6) 0.14822(4) 0.34596(6) 0.02268(17) Uani 1 1 d ' ' ' ' ' '
Cl1 Cl 0.01451(7) 0.01213(4) 0.37307(6) 0.03247(19) Uani 1 1 d ' ' ' ' ' '
Cl2 Cl -0.01322(9) -0.00966(4) 0.16034(7) 0.0404(2) Uani 1 1 d ' ' ' ' ' '
O1 O -0.2545(2) 0.09046(13) 0.4751(2) 0.0321(6) Uani 1 1 d ' ' ' ' ' '
O2 O -0.3118(2) 0.00317(15) 0.9334(2) 0.0371(7) Uani 1 1 d ' ' ' ' ' '
C1 C -0.0175(3) 0.14005(18) 0.4431(2) 0.0286(7) Uani 1 1 d ' ' ' ' ' '
H1A H 0.0106 0.1074 0.4803 0.034 Uiso 1 1 calc R ' ' ' '
H1B H -0.0082 0.1757 0.48 0.034 Uiso 1 1 calc R ' ' ' '
C2 C -0.1224(3) 0.12891(19) 0.4205(3) 0.0311(8) Uani 1 1 d ' ' ' ' ' '
H2A H -0.1556 0.1662 0.4087 0.037 Uiso 1 1 calc R ' ' ' '
H2B H -0.1349 0.1047 0.3658 0.037 Uiso 1 1 calc R ' ' ' '
C3 C -0.1565(3) 0.09829(19) 0.4982(3) 0.0313(8) Uani 1 1 d ' ' ' ' ' '
H3A H -0.1253 0.0602 0.5089 0.038 Uiso 1 1 calc R ' ' ' '
H3B H -0.143 0.1219 0.5535 0.038 Uiso 1 1 calc R ' ' ' '
C4 C -0.3024(3) 0.07041(16) 0.5419(3) 0.0269(7) Uani 1 1 d ' ' ' ' ' '
C5 C -0.2637(3) 0.05794(17) 0.6276(3) 0.0300(8) Uani 1 1 d ' ' ' ' ' '
H5 H -0.1983 0.06 0.6439 0.036 Uiso 1 1 calc R ' ' ' '
C6 C -0.3210(3) 0.04184(16) 0.6930(3) 0.0276(7) Uani 1 1 d ' ' ' ' ' '
C7 C -0.2837(3) 0.03105(18) 0.7828(3) 0.0319(8) Uani 1 1 d ' ' ' ' ' '
H7 H -0.2188 0.035 0.8012 0.038 Uiso 1 1 calc R ' ' ' '
C8 C -0.3406(3) 0.01481(19) 0.8444(3) 0.0329(8) Uani 1 1 d ' ' ' ' ' '
C9 C -0.4374(3) 0.0097(2) 0.8177(3) 0.0373(9) Uani 1 1 d ' ' ' ' ' '
H9 H -0.4764 -0.0014 0.8605 0.045 Uiso 1 1 calc R ' ' ' '
C10 C -0.4753(3) 0.0205(2) 0.7318(3) 0.0361(9) Uani 1 1 d ' ' ' ' ' '
H10 H -0.5404 0.0168 0.7149 0.043 Uiso 1 1 calc R ' ' ' '
C11 C -0.4183(3) 0.03729(16) 0.6664(3) 0.0279(7) Uani 1 1 d ' ' ' ' ' '
C12 C -0.4554(3) 0.04864(17) 0.5762(3) 0.0309(8) Uani 1 1 d ' ' ' ' ' '
H12 H -0.5204 0.045 0.558 0.037 Uiso 1 1 calc R ' ' ' '
C13 C -0.3994(3) 0.06480(17) 0.5146(3) 0.0324(8) Uani 1 1 d ' ' ' ' ' '
H13 H -0.4253 0.0722 0.4541 0.039 Uiso 1 1 calc R ' ' ' '
C14 C 0.2156(3) 0.00806(19) 0.0391(3) 0.0335(8) Uani 1 1 d ' ' ' ' ' '
H14A H 0.1784 -0.0248 0.0573 0.04 Uiso 1 1 calc R ' ' ' '
H14B H 0.2035 0.0114 -0.0271 0.04 Uiso 1 1 calc R ' ' ' '
C15 C 0.1861(3) 0.06402(18) 0.0814(3) 0.0331(8) Uani 1 1 d ' ' ' ' ' '
H15A H 0.229 0.0957 0.0704 0.04 Uiso 1 1 calc R ' ' ' '
H15B H 0.1899 0.0587 0.1471 0.04 Uiso 1 1 calc R ' ' ' '
C16 C 0.0869(3) 0.08077(17) 0.0422(3) 0.0307(8) Uani 1 1 d ' ' ' ' ' '
H16A H 0.0508 0.045 0.0253 0.037 Uiso 1 1 calc R ' ' ' '
H16B H 0.0885 0.1039 -0.0129 0.037 Uiso 1 1 calc R ' ' ' '
C111 C 0.0962(3) 0.18950(16) 0.1284(3) 0.0284(7) Uani 1 1 d ' ' ' ' ' '
C112 C 0.1846(3) 0.18788(18) 0.1781(3) 0.0310(8) Uani 1 1 d ' ' ' ' ' '
H112 H 0.2054 0.1536 0.21 0.037 Uiso 1 1 calc R ' ' ' '
C113 C 0.2425(3) 0.2359(2) 0.1813(4) 0.0435(11) Uani 1 1 d ' ' ' ' ' '
H113 H 0.3031 0.2342 0.2144 0.052 Uiso 1 1 calc R ' ' ' '
C114 C 0.2124(4) 0.2858(2) 0.1368(5) 0.0556(14) Uani 1 1 d ' ' ' ' ' '
H114 H 0.2518 0.3188 0.1397 0.067 Uiso 1 1 calc R ' ' ' '
C115 C 0.1252(4) 0.2882(2) 0.0878(4) 0.0540(14) Uani 1 1 d ' ' ' ' ' '
H115 H 0.1051 0.3228 0.0566 0.065 Uiso 1 1 calc R ' ' ' '
C116 C 0.0659(4) 0.24022(19) 0.0833(3) 0.0389(9) Uani 1 1 d ' ' ' ' ' '
H116 H 0.0055 0.2422 0.0499 0.047 Uiso 1 1 calc R ' ' ' '
C121 C -0.0852(3) 0.13658(18) 0.0571(3) 0.0321(8) Uani 1 1 d ' ' ' ' ' '
C122 C -0.1642(3) 0.12480(19) 0.0966(3) 0.0345(9) Uani 1 1 d ' ' ' ' ' '
H122 H -0.1584 0.1135 0.1578 0.041 Uiso 1 1 calc R ' ' ' '
C123 C -0.2518(3) 0.1297(2) 0.0459(3) 0.0424(10) Uani 1 1 d ' ' ' ' ' '
H123 H -0.3055 0.1215 0.0729 0.051 Uiso 1 1 calc R ' ' ' '
C124 C -0.2612(4) 0.1462(2) -0.0429(4) 0.0491(12) Uani 1 1 d ' ' ' ' ' '
H124 H -0.3212 0.1489 -0.0769 0.059 Uiso 1 1 calc R ' ' ' '
C125 C -0.1839(4) 0.1588(2) -0.0824(3) 0.0528(14) Uani 1 1 d ' ' ' ' ' '
H125 H -0.1906 0.1708 -0.1433 0.063 Uiso 1 1 calc R ' ' ' '
C126 C -0.0950(4) 0.1538(2) -0.0328(3) 0.0425(10) Uani 1 1 d ' ' ' ' ' '
H126 H -0.0416 0.1621 -0.0603 0.051 Uiso 1 1 calc R ' ' ' '
C211 C 0.1645(3) 0.15279(16) 0.4008(2) 0.0249(7) Uani 1 1 d ' ' ' ' ' '
C212 C 0.1929(3) 0.19573(18) 0.4636(3) 0.0314(8) Uani 1 1 d ' ' ' ' ' '
H212 H 0.1501 0.2245 0.4769 0.038 Uiso 1 1 calc R ' ' ' '
C213 C 0.2840(3) 0.1966(2) 0.5071(3) 0.0394(10) Uani 1 1 d ' ' ' ' ' '
H213 H 0.3036 0.2267 0.5485 0.047 Uiso 1 1 calc R ' ' ' '
C214 C 0.3458(3) 0.1540(2) 0.4903(3) 0.0404(10) Uani 1 1 d ' ' ' ' ' '
H214 H 0.4076 0.1545 0.5205 0.048 Uiso 1 1 calc R ' ' ' '
C215 C 0.3173(3) 0.1101(2) 0.4288(3) 0.0373(9) Uani 1 1 d ' ' ' ' ' '
H215 H 0.3601 0.0808 0.417 0.045 Uiso 1 1 calc R ' ' ' '
C216 C 0.2271(3) 0.10875(18) 0.3846(3) 0.0312(8) Uani 1 1 d ' ' ' ' ' '
H216 H 0.2076 0.0783 0.3436 0.037 Uiso 1 1 calc R ' ' ' '
C221 C 0.0089(3) 0.22035(16) 0.3037(2) 0.0266(7) Uani 1 1 d ' ' ' ' ' '
C222 C 0.0684(3) 0.26820(17) 0.3068(3) 0.0316(8) Uani 1 1 d ' ' ' ' ' '
H222 H 0.132 0.264 0.3309 0.038 Uiso 1 1 calc R ' ' ' '
C223 C 0.0348(4) 0.3221(2) 0.2748(3) 0.0412(10) Uani 1 1 d ' ' ' ' ' '
H223 H 0.0759 0.3542 0.2756 0.049 Uiso 1 1 calc R ' ' ' '
C224 C -0.0593(4) 0.3290(2) 0.2415(3) 0.0437(11) Uani 1 1 d ' ' ' ' ' '
H224 H -0.0825 0.3658 0.2207 0.052 Uiso 1 1 calc R ' ' ' '
C225 C -0.1185(3) 0.2817(2) 0.2392(3) 0.0370(9) Uani 1 1 d ' ' ' ' ' '
H225 H -0.1825 0.2862 0.217 0.044 Uiso 1 1 calc R ' ' ' '
C226 C -0.0845(3) 0.22764(19) 0.2694(2) 0.0306(8) Uani 1 1 d ' ' ' ' ' '
H226 H -0.1254 0.1953 0.2666 0.037 Uiso 1 1 calc R ' ' ' '
C400 C 0.2308(5) 0.0047(3) 0.7137(5) 0.0705(19) Uani 0.763(5) 1 d P A 1
H40A H 0.2352 -0.0349 0.6892 0.085 Uiso 0.763(5) 1 calc PR A 1
H40B H 0.166 0.0105 0.7249 0.085 Uiso 0.763(5) 1 calc PR A 1
Cl41 Cl 0.25530(12) 0.05452(8) 0.63376(11) 0.0659(4) Uani 0.763(5) 1 d P A 1
Cl42 Cl 0.30389(14) 0.00931(12) 0.81538(13) 0.0672(8) Uani 0.763(5) 1 d P A 1
C401 C 0.2308(5) 0.0047(3) 0.7137(5) 0.0705(19) Uani 0.237(5) 1 d P A 2
H40C H 0.2074 0.0281 0.7609 0.106 Uiso 0.237(5) 1 calc PR A 2
H40D H 0.1769 -0.0177 0.6843 0.106 Uiso 0.237(5) 1 calc PR A 2
Cl44 Cl 0.25530(12) 0.05452(8) 0.63376(11) 0.0659(4) Uani 0.237(5) 1 d P A 2
Cl43 Cl 0.2949(5) -0.0399(4) 0.7637(6) 0.073(3) Uani 0.237(5) 1 d P A 2
C500 C 0.6186(5) 0.1900(4) 0.3369(6) 0.082(2) Uani 1 1 d ' ' ' ' ' '
H50A H 0.6272 0.2313 0.3544 0.098 Uiso 1 1 calc R ' ' ' '
H50B H 0.6546 0.1664 0.3846 0.098 Uiso 1 1 calc R ' ' ' '
Cl51 Cl 0.66375(18) 0.1796(2) 0.2403(2) 0.1570(17) Uani 1 1 d ' ' ' ' ' '
Cl52 Cl 0.50258(17) 0.17289(17) 0.3326(3) 0.1600(18) Uani 1 1 d ' ' ' ' ' '
C600 C 0.9410(5) 0.8648(3) 0.2816(5) 0.0645(16) Uani 1 1 d ' ' ' ' ' '
H60A H 0.9664 0.9042 0.2748 0.077 Uiso 1 1 calc R ' ' ' '
H60B H 0.9116 0.8645 0.3371 0.077 Uiso 1 1 calc R ' ' ' '
Cl61 Cl 1.02986(19) 0.81606(13) 0.2927(2) 0.1368(14) Uani 1 1 d ' ' ' ' ' '
Cl62 Cl 0.85539(15) 0.85040(9) 0.18911(16) 0.0833(5) Uani 1 1 d ' ' ' ' ' '
 
 
 
#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 P2 2.2510(9) ' ' ?
Pt1 P1 2.2544(9) ' ' ?
Pt1 Cl2 2.3467(10) ' ' ?
Pt1 Cl1 2.3500(9) ' ' ?
P1 C121 1.821(4) ' ' ?
P1 C111 1.822(4) ' ' ?
P1 C16 1.828(4) ' ' ?
P2 C211 1.823(4) ' ' ?
P2 C221 1.828(4) ' ' ?
P2 C1 1.835(4) ' ' ?
O1 C4 1.379(5) ' ' ?
O1 C3 1.431(5) ' ' ?
O2 C8 1.371(5) ' ' ?
O2 C14 1.428(5) 3_556 ?
C1 C2 1.538(6) ' ' ?
C2 C3 1.508(6) ' ' ?
C4 C5 1.364(6) ' ' ?
C4 C13 1.420(5) ' ' ?
C5 C6 1.425(5) ' ' ?
C6 C7 1.407(6) ' ' ?
C6 C11 1.419(5) ' ' ?
C7 C8 1.378(6) ' ' ?
C8 C9 1.415(6) ' ' ?
C9 C10 1.355(7) ' ' ?
C10 C11 1.426(6) ' ' ?
C11 C12 1.413(6) ' ' ?
C12 C13 1.369(6) ' ' ?
C14 O2 1.428(5) 3_556 ?
C14 C15 1.525(6) ' ' ?
C15 C16 1.529(6) ' ' ?
C111 C116 1.391(6) ' ' ?
C111 C112 1.395(6) ' ' ?
C112 C113 1.387(6) ' ' ?
C113 C114 1.371(7) ' ' ?
C114 C115 1.376(9) ' ' ?
C115 C116 1.398(7) ' ' ?
C121 C122 1.393(6) ' ' ?
C121 C126 1.398(6) ' ' ?
C122 C123 1.394(6) ' ' ?
C123 C124 1.377(8) ' ' ?
C124 C125 1.375(9) ' ' ?
C125 C126 1.404(7) ' ' ?
C211 C212 1.390(5) ' ' ?
C211 C216 1.407(5) ' ' ?
C212 C213 1.393(6) ' ' ?
C213 C214 1.379(7) ' ' ?
C214 C215 1.394(7) ' ' ?
C215 C216 1.387(6) ' ' ?
C221 C226 1.395(5) ' ' ?
C221 C222 1.398(6) ' ' ?
C222 C223 1.395(6) ' ' ?
C223 C224 1.399(7) ' ' ?
C224 C225 1.387(7) ' ' ?
C225 C226 1.392(6) ' ' ?
C400 Cl41 1.735(7) ' ' ?
C400 Cl42 1.740(7) ' ' ?
C500 Cl51 1.694(9) ' ' ?
C500 Cl52 1.726(8) ' ' ?
C600 Cl61 1.703(7) ' ' ?
C600 Cl62 1.763(7) ' ' ?
 
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
P2 Pt1 P1 98.41(3) ' ' ' ' ?
P2 Pt1 Cl2 173.74(4) ' ' ' ' ?
P1 Pt1 Cl2 87.40(4) ' ' ' ' ?
P2 Pt1 Cl1 88.08(3) ' ' ' ' ?
P1 Pt1 Cl1 173.14(4) ' ' ' ' ?
Cl2 Pt1 Cl1 86.20(4) ' ' ' ' ?
C121 P1 C111 109.04(19) ' ' ' ' ?
C121 P1 C16 102.77(19) ' ' ' ' ?
C111 P1 C16 100.88(18) ' ' ' ' ?
C121 P1 Pt1 112.68(15) ' ' ' ' ?
C111 P1 Pt1 117.80(13) ' ' ' ' ?
C16 P1 Pt1 112.06(13) ' ' ' ' ?
C211 P2 C221 108.19(17) ' ' ' ' ?
C211 P2 C1 101.13(17) ' ' ' ' ?
C221 P2 C1 102.82(18) ' ' ' ' ?
C211 P2 Pt1 113.08(13) ' ' ' ' ?
C221 P2 Pt1 117.28(12) ' ' ' ' ?
C1 P2 Pt1 112.69(13) ' ' ' ' ?
C4 O1 C3 116.9(3) ' ' ' ' ?
C8 O2 C14 118.1(3) ' ' 3_556 ?
C2 C1 P2 115.2(3) ' ' ' ' ?
C3 C2 C1 109.3(3) ' ' ' ' ?
O1 C3 C2 107.2(3) ' ' ' ' ?
C5 C4 O1 125.2(4) ' ' ' ' ?
C5 C4 C13 121.0(4) ' ' ' ' ?
O1 C4 C13 113.8(3) ' ' ' ' ?
C4 C5 C6 120.3(4) ' ' ' ' ?
C7 C6 C11 119.6(4) ' ' ' ' ?
C7 C6 C5 121.7(4) ' ' ' ' ?
C11 C6 C5 118.8(4) ' ' ' ' ?
C8 C7 C6 120.4(4) ' ' ' ' ?
O2 C8 C7 125.4(4) ' ' ' ' ?
O2 C8 C9 114.6(4) ' ' ' ' ?
C7 C8 C9 120.0(4) ' ' ' ' ?
C10 C9 C8 120.7(4) ' ' ' ' ?
C9 C10 C11 120.7(4) ' ' ' ' ?
C12 C11 C6 119.2(4) ' ' ' ' ?
C12 C11 C10 122.2(4) ' ' ' ' ?
C6 C11 C10 118.6(4) ' ' ' ' ?
C13 C12 C11 121.1(4) ' ' ' ' ?
C12 C13 C4 119.5(4) ' ' ' ' ?
O2 C14 C15 110.8(4) 3_556 ' ' ?
C14 C15 C16 111.0(3) ' ' ' ' ?
C15 C16 P1 112.5(3) ' ' ' ' ?
C116 C111 C112 119.3(4) ' ' ' ' ?
C116 C111 P1 123.2(3) ' ' ' ' ?
C112 C111 P1 117.4(3) ' ' ' ' ?
C113 C112 C111 120.5(4) ' ' ' ' ?
C114 C113 C112 120.0(5) ' ' ' ' ?
C113 C114 C115 120.3(5) ' ' ' ' ?
C114 C115 C116 120.7(5) ' ' ' ' ?
C111 C116 C115 119.3(5) ' ' ' ' ?
C122 C121 C126 119.3(4) ' ' ' ' ?
C122 C121 P1 118.9(3) ' ' ' ' ?
C126 C121 P1 121.5(4) ' ' ' ' ?
C121 C122 C123 119.8(4) ' ' ' ' ?
C124 C123 C122 120.8(5) ' ' ' ' ?
C125 C124 C123 120.1(5) ' ' ' ' ?
C124 C125 C126 120.1(5) ' ' ' ' ?
C121 C126 C125 119.9(5) ' ' ' ' ?
C212 C211 C216 119.5(3) ' ' ' ' ?
C212 C211 P2 121.5(3) ' ' ' ' ?
C216 C211 P2 118.7(3) ' ' ' ' ?
C211 C212 C213 120.1(4) ' ' ' ' ?
C214 C213 C212 120.4(4) ' ' ' ' ?
C213 C214 C215 119.9(4) ' ' ' ' ?
C216 C215 C214 120.5(4) ' ' ' ' ?
C215 C216 C211 119.6(4) ' ' ' ' ?
C226 C221 C222 118.9(4) ' ' ' ' ?
C226 C221 P2 117.0(3) ' ' ' ' ?
C222 C221 P2 124.1(3) ' ' ' ' ?
C223 C222 C221 120.4(4) ' ' ' ' ?
C222 C223 C224 120.1(4) ' ' ' ' ?
C225 C224 C223 119.6(4) ' ' ' ' ?
C224 C225 C226 120.2(4) ' ' ' ' ?
C225 C226 C221 120.8(4) ' ' ' ' ?
Cl41 C400 Cl42 114.2(3) ' ' ' ' ?
Cl51 C500 Cl52 115.6(6) ' ' ' ' ?
Cl61 C600 Cl62 113.3(4) ' ' ' ' ?
 
