 
#  CIF produced by WinGX routine CIF_UPDATE
#  Created on 2000-09-04 at 15:55:09
#  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  : ljf018a dreduc sortav struct
 
 
data_ljf018a
 
_audit_creation_date            2000-09-04T15:55:09-00:00
_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                'C76 H68 Cl4 O4 P4 Pt2, 6(C H Cl3)'
_chemical_formula_structural            'C82 H74 Cl22 O4 P4 Pt2'
_chemical_formula_sum                   'C82 H74 Cl22 O4 P4 Pt2'
_chemical_formula_weight                2417.37
_chemical_compound_source               'synthesis as described'
 
#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#
 
_symmetry_cell_setting                  triclinic
_symmetry_space_group_name_H-M          'P -1'
_symmetry_space_group_name_Hall         '-P 1'
_symmetry_Int_Tables_number             2
loop_
    _symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
 
_cell_length_a                          10.8061(4)
_cell_length_b                          11.1389(5)
_cell_length_c                          20.6078(8)
_cell_angle_alpha                       81.450(2)
_cell_angle_beta                        77.570(2)
_cell_angle_gamma                       76.863(2)
_cell_volume                            2345.97(16)
_cell_formula_units_Z                   1
_cell_measurement_temperature           173(2)
_cell_measurement_reflns_used           205151
_cell_measurement_theta_min             3.395
_cell_measurement_theta_max             27.485
_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                 0.15
_exptl_crystal_size_min                 0.1
_exptl_crystal_density_diffrn           1.711
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    1188
_exptl_special_details
;
 ?
;
 
#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#
 
_exptl_absorpt_coefficient_mu           3.72
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details
;
 R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_absorpt_correction_T_min         0.461
_exptl_absorpt_correction_T_max         0.717
 
#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#
 
_diffrn_source                          'Enraf Nonius FR590'
_diffrn_ambient_temperature             173(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             -0.158704E-1
_diffrn_orient_matrix_ub_12             0.231176E-1
_diffrn_orient_matrix_ub_13             -0.925731E-1
_diffrn_orient_matrix_ub_21             0.31326E-1
_diffrn_orient_matrix_ub_22             0.803223E-1
_diffrn_orient_matrix_ub_23             0.341619E-1
_diffrn_orient_matrix_ub_31             0.446904E-1
_diffrn_orient_matrix_ub_32             -0.220838E-1
_diffrn_orient_matrix_ub_33             -0.33496E-2
_diffrn_measurement_device              '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type         KappaCCD
_diffrn_measurement_method              CCD
_diffrn_reflns_number                   13906
_diffrn_reflns_av_R_equivalents         0.0567
_diffrn_reflns_av_unetI/netI            0.0985
_diffrn_reflns_limit_h_min              -12
_diffrn_reflns_limit_h_max              13
_diffrn_reflns_limit_k_min              -13
_diffrn_reflns_limit_k_max              13
_diffrn_reflns_limit_l_min              -25
_diffrn_reflns_limit_l_max              25
_diffrn_reflns_theta_min                3.42
_diffrn_reflns_theta_max                26
_diffrn_reflns_theta_full               26
_diffrn_measured_fraction_theta_full
                                        0.978
_diffrn_measured_fraction_theta_max
                                        0.978
_reflns_number_total                    9021
_reflns_number_gt                       7164
_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
;
 
#----------------------------------------------------------------------------#
#                   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_solution           'SHELXS-97 (Sheldrick,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.
;
_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)+(0.0283P)²+15.4928P] 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            SHELXL
_refine_ls_extinction_expression
                                    Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef              0.0010(3)
_refine_ls_number_reflns                9021
_refine_ls_number_parameters            515
_refine_ls_number_restraints            0
_refine_ls_R_factor_all                 0.084
_refine_ls_R_factor_gt                  0.0575
_refine_ls_wR_factor_ref                0.1277
_refine_ls_wR_factor_gt                 0.117
_refine_ls_goodness_of_fit_ref          1.062
_refine_ls_restrained_S_all             1.062
_refine_ls_shift/su_max                 0.002
_refine_ls_shift/su_mean                0
_refine_diff_density_max                2.746
_refine_diff_density_min                -1.978
_refine_diff_density_rms                0.187
 
#----------------------------------------------------------------------------#
#                   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 0.07677(3) 0.17241(3) 0.233145(16) 0.02118(12) Uani 1 1 d . . .
P1 P 0.24104(18) 0.00818(17) 0.24182(10) 0.0206(4) Uani 1 1 d . . .
P2 P 0.18800(18) 0.32167(17) 0.22984(10) 0.0208(4) Uani 1 1 d . . .
Cl1 Cl -0.03920(18) 0.02564(17) 0.22017(11) 0.0317(5) Uani 1 1 d . . .
Cl2 Cl -0.12068(18) 0.31769(18) 0.24449(11) 0.0318(5) Uani 1 1 d . . .
Cl10 Cl 0.0060(3) 0.2455(3) 0.04749(14) 0.0637(8) Uani 1 1 d . . .
Cl11 Cl -0.1869(3) 0.4676(3) 0.04578(19) 0.0793(10) Uani 1 1 d . . .
Cl12 Cl -0.2611(4) 0.2318(4) 0.0607(2) 0.1018(13) Uani 1 1 d . . .
Cl20 Cl 0.7852(3) 0.1910(3) 0.40584(15) 0.0623(8) Uani 1 1 d . . .
Cl21 Cl 0.7012(3) -0.0211(3) 0.48677(16) 0.0673(8) Uani 1 1 d . . .
Cl22 Cl 0.5736(3) 0.2236(3) 0.51873(15) 0.0720(9) Uani 1 1 d . . .
Cl30 Cl 0.6236(3) 0.5312(3) 0.3794(3) 0.1018(14) Uani 1 1 d . . .
Cl31 Cl 0.8695(3) 0.5375(3) 0.41132(16) 0.0731(9) Uani 1 1 d . . .
Cl32 Cl 0.7273(3) 0.7473(3) 0.34100(18) 0.0834(10) Uani 1 1 d . . .
O123 O 0.3546(5) 0.0522(5) 0.0817(3) 0.0254(12) Uani 1 1 d . . .
O223 O 0.4227(5) 0.4774(5) 0.1698(3) 0.0331(14) Uani 1 1 d . . .
C10 C -0.1530(9) 0.3110(10) 0.0792(5) 0.046(2) Uani 1 1 d . . .
H10 H -0.1642 0.3076 0.1288 0.056 Uiso 1 1 calc R . .
C20 C 0.7211(9) 0.1310(10) 0.4867(5) 0.051(3) Uani 1 1 d . . .
H20 H 0.7835 0.1292 0.5165 0.061 Uiso 1 1 calc R . .
C30 C 0.7670(9) 0.5856(9) 0.3538(6) 0.052(3) Uani 1 1 d . . .
H30 H 0.8127 0.5533 0.3103 0.062 Uiso 1 1 calc R . .
C101 C 0.1935(7) -0.1013(7) 0.3131(4) 0.0221(16) Uani 1 1 d . . .
C102 C 0.2752(8) -0.2183(7) 0.3209(4) 0.0308(19) Uani 1 1 d . . .
H102 H 0.3542 -0.2363 0.29 0.037 Uiso 1 1 calc R . .
C103 C 0.2444(9) -0.3069(8) 0.3717(5) 0.039(2) Uani 1 1 d . . .
H103 H 0.3014 -0.3851 0.3755 0.046 Uiso 1 1 calc R . .
C104 C 0.1301(10) -0.2823(10) 0.4174(5) 0.049(3) Uani 1 1 d . . .
H104 H 0.1072 -0.3435 0.4525 0.059 Uiso 1 1 calc R . .
C105 C 0.0498(9) -0.1677(10) 0.4112(5) 0.050(3) Uani 1 1 d . . .
H105 H -0.028 -0.1493 0.4429 0.06 Uiso 1 1 calc R . .
C106 C 0.0809(8) -0.0792(8) 0.3596(4) 0.037(2) Uani 1 1 d . . .
H106 H 0.0233 -0.0012 0.3561 0.045 Uiso 1 1 calc R . .
C111 C 0.3932(7) 0.0269(7) 0.2591(4) 0.0228(17) Uani 1 1 d . . .
C112 C 0.4030(7) 0.0337(7) 0.3239(4) 0.0269(18) Uani 1 1 d . . .
H112 H 0.3295 0.0297 0.3584 0.032 Uiso 1 1 calc R . .
C113 C 0.5169(8) 0.0464(8) 0.3404(5) 0.035(2) Uani 1 1 d . . .
H113 H 0.5212 0.0506 0.3855 0.042 Uiso 1 1 calc R . .
C114 C 0.6242(8) 0.0526(8) 0.2904(5) 0.034(2) Uani 1 1 d . . .
H114 H 0.7024 0.0627 0.3009 0.041 Uiso 1 1 calc R . .
C115 C 0.6172(8) 0.0443(8) 0.2249(5) 0.034(2) Uani 1 1 d . . .
H115 H 0.691 0.0484 0.1905 0.041 Uiso 1 1 calc R . .
C116 C 0.5027(7) 0.0297(7) 0.2089(4) 0.0262(18) Uani 1 1 d . . .
H116 H 0.4992 0.0218 0.1641 0.031 Uiso 1 1 calc R . .
C121 C 0.2823(7) -0.0913(7) 0.1733(4) 0.0238(17) Uani 1 1 d . . .
H12A H 0.3735 -0.1352 0.1709 0.029 Uiso 1 1 calc R . .
H12B H 0.2283 -0.1551 0.1854 0.029 Uiso 1 1 calc R . .
C122 C 0.2668(7) -0.0305(7) 0.1048(4) 0.0255(18) Uani 1 1 d . . .
H12C H 0.2842 -0.0946 0.0736 0.031 Uiso 1 1 calc R . .
H12D H 0.1768 0.0161 0.106 0.031 Uiso 1 1 calc R . .
C130 C 0.3576(7) 0.1109(7) 0.0182(4) 0.0231(17) Uani 1 1 d . . .
C131 C 0.2857(7) 0.0871(7) -0.0264(4) 0.0272(18) Uani 1 1 d . . .
H131 H 0.2327 0.0271 -0.0131 0.033 Uiso 1 1 calc R . .
C132 C 0.2925(7) 0.1501(7) -0.0882(4) 0.0257(18) Uani 1 1 d . . .
H132 H 0.2444 0.1327 -0.118 0.031 Uiso 1 1 calc R . .
C133 C 0.3688(7) 0.2406(7) -0.1095(4) 0.0244(17) Uani 1 1 d . . .
C134 C 0.4417(7) 0.2663(6) -0.0646(4) 0.0235(17) Uani 1 1 d . . .
C135 C 0.4337(7) 0.1982(7) -0.0007(4) 0.0235(17) Uani 1 1 d . . .
H135 H 0.4818 0.2132 0.0297 0.028 Uiso 1 1 calc R . .
C136 C 0.6255(8) 0.6901(7) 0.1735(4) 0.0307(19) Uani 1 1 d . . .
H136 H 0.6721 0.7069 0.2041 0.037 Uiso 1 1 calc R . .
C137 C 0.5544(8) 0.6005(8) 0.1915(4) 0.0304(19) Uani 1 1 d . . .
H137 H 0.5511 0.5556 0.2346 0.036 Uiso 1 1 calc R . .
C138 C 0.4843(8) 0.5734(7) 0.1459(4) 0.0276(18) Uani 1 1 d . . .
C139 C 0.4841(7) 0.6409(7) 0.0848(4) 0.0245(17) Uani 1 1 d . . .
H139 H 0.4337 0.6252 0.0557 0.029 Uiso 1 1 calc R . .
C201 C 0.2421(8) 0.3233(7) 0.3071(4) 0.0269(18) Uani 1 1 d . . .
C202 C 0.3652(8) 0.3383(7) 0.3106(4) 0.0311(19) Uani 1 1 d . . .
H202 H 0.4274 0.3475 0.2709 0.037 Uiso 1 1 calc R . .
C203 C 0.3959(9) 0.3398(8) 0.3718(5) 0.040(2) Uani 1 1 d . . .
H203 H 0.4803 0.3476 0.3745 0.048 Uiso 1 1 calc R . .
C204 C 0.3043(10) 0.3301(8) 0.4289(5) 0.042(2) Uani 1 1 d . . .
H204 H 0.3252 0.3336 0.471 0.051 Uiso 1 1 calc R . .
C205 C 0.1836(9) 0.3154(9) 0.4259(5) 0.041(2) Uani 1 1 d . . .
H205 H 0.1216 0.3086 0.4659 0.049 Uiso 1 1 calc R . .
C206 C 0.1510(8) 0.3102(8) 0.3659(4) 0.033(2) Uani 1 1 d . . .
H206 H 0.0676 0.2978 0.3643 0.04 Uiso 1 1 calc R . .
C211 C 0.1018(7) 0.4799(7) 0.2132(4) 0.0232(17) Uani 1 1 d . . .
C212 C 0.0958(7) 0.5725(7) 0.2524(4) 0.0276(18) Uani 1 1 d . . .
H212 H 0.1312 0.5524 0.292 0.033 Uiso 1 1 calc R . .
C213 C 0.0389(8) 0.6941(7) 0.2346(4) 0.031(2) Uani 1 1 d . . .
H213 H 0.0354 0.7566 0.2621 0.038 Uiso 1 1 calc R . .
C214 C -0.0124(8) 0.7247(8) 0.1774(5) 0.041(2) Uani 1 1 d . . .
H214 H -0.0507 0.8084 0.1651 0.049 Uiso 1 1 calc R . .
C215 C -0.0082(9) 0.6332(8) 0.1379(5) 0.042(2) Uani 1 1 d . . .
H215 H -0.0439 0.6545 0.0984 0.05 Uiso 1 1 calc R . .
C216 C 0.0473(8) 0.5113(8) 0.1551(5) 0.035(2) Uani 1 1 d . . .
H216 H 0.0487 0.4489 0.1279 0.042 Uiso 1 1 calc R . .
C221 C 0.3254(8) 0.3111(7) 0.1589(4) 0.0306(19) Uani 1 1 d . . .
H22A H 0.4008 0.2553 0.1748 0.037 Uiso 1 1 calc R . .
H22B H 0.3038 0.2701 0.1246 0.037 Uiso 1 1 calc R . .
C222 C 0.3683(8) 0.4292(7) 0.1248(4) 0.0307(19) Uani 1 1 d . . .
H22C H 0.4334 0.4114 0.0837 0.037 Uiso 1 1 calc R . .
H22D H 0.2933 0.4907 0.112 0.037 Uiso 1 1 calc R . .
 
 
 
#----------------------------------------------------------------------------#
#                   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 2.2479(19) . ?
Pt1 P1 2.2567(18) . ?
Pt1 Cl1 2.3495(19) . ?
Pt1 Cl2 2.3566(18) . ?
P1 C111 1.818(8) . ?
P1 C101 1.827(8) . ?
P1 C121 1.842(7) . ?
P2 C201 1.814(8) . ?
P2 C211 1.818(7) . ?
P2 C221 1.842(8) . ?
Cl10 C10 1.732(10) . ?
Cl11 C10 1.764(11) . ?
Cl12 C10 1.746(10) . ?
Cl20 C20 1.757(11) . ?
Cl21 C20 1.756(11) . ?
Cl22 C20 1.744(10) . ?
Cl30 C30 1.740(11) . ?
Cl31 C30 1.740(11) . ?
Cl32 C30 1.748(10) . ?
O123 C130 1.371(9) . ?
O123 C122 1.431(9) . ?
O223 C138 1.362(9) . ?
O223 C222 1.421(10) . ?
C101 C106 1.375(11) . ?
C101 C102 1.407(10) . ?
C102 C103 1.368(12) . ?
C103 C104 1.382(13) . ?
C104 C105 1.376(14) . ?
C105 C106 1.378(12) . ?
C111 C112 1.376(11) . ?
C111 C116 1.398(11) . ?
C112 C113 1.387(11) . ?
C113 C114 1.382(12) . ?
C114 C115 1.387(12) . ?
C115 C116 1.396(11) . ?
C121 C122 1.499(11) . ?
C130 C135 1.374(10) . ?
C130 C131 1.411(11) . ?
C131 C132 1.355(11) . ?
C132 C133 1.407(11) . ?
C133 C136 1.422(11) 2_665 ?
C133 C134 1.432(11) . ?
C134 C139 1.410(10) 2_665 ?
C134 C135 1.415(11) . ?
C136 C137 1.357(11) . ?
C136 C133 1.422(11) 2_665 ?
C137 C138 1.429(11) . ?
C138 C139 1.367(11) . ?
C139 C134 1.410(10) 2_665 ?
C201 C202 1.396(11) . ?
C201 C206 1.400(12) . ?
C202 C203 1.374(12) . ?
C203 C204 1.373(13) . ?
C204 C205 1.367(13) . ?
C205 C206 1.368(12) . ?
C211 C212 1.385(11) . ?
C211 C216 1.409(11) . ?
C212 C213 1.385(11) . ?
C213 C214 1.374(12) . ?
C214 C215 1.384(12) . ?
C215 C216 1.381(11) . ?
C221 C222 1.518(10) . ?
 
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 97.54(7) . . ?
P2 Pt1 Cl1 171.74(8) . . ?
P1 Pt1 Cl1 85.04(7) . . ?
P2 Pt1 Cl2 91.31(7) . . ?
P1 Pt1 Cl2 166.87(7) . . ?
Cl1 Pt1 Cl2 87.56(7) . . ?
C111 P1 C101 100.3(3) . . ?
C111 P1 C121 106.7(3) . . ?
C101 P1 C121 100.9(3) . . ?
C111 P1 Pt1 120.9(2) . . ?
C101 P1 Pt1 110.0(2) . . ?
C121 P1 Pt1 115.2(3) . . ?
C201 P2 C211 103.6(4) . . ?
C201 P2 C221 110.6(4) . . ?
C211 P2 C221 101.4(4) . . ?
C201 P2 Pt1 113.8(3) . . ?
C211 P2 Pt1 115.9(3) . . ?
C221 P2 Pt1 110.6(3) . . ?
C130 O123 C122 117.5(6) . . ?
C138 O223 C222 118.0(6) . . ?
Cl10 C10 Cl12 111.6(6) . . ?
Cl10 C10 Cl11 109.3(6) . . ?
Cl12 C10 Cl11 109.8(5) . . ?
Cl22 C20 Cl21 109.8(6) . . ?
Cl22 C20 Cl20 111.3(6) . . ?
Cl21 C20 Cl20 110.6(6) . . ?
Cl30 C30 Cl31 112.3(7) . . ?
Cl30 C30 Cl32 107.9(5) . . ?
Cl31 C30 Cl32 110.8(6) . . ?
C106 C101 C102 116.8(7) . . ?
C106 C101 P1 124.7(6) . . ?
C102 C101 P1 118.5(6) . . ?
C103 C102 C101 122.1(8) . . ?
C102 C103 C104 119.9(8) . . ?
C105 C104 C103 118.9(9) . . ?
C104 C105 C106 120.9(9) . . ?
C101 C106 C105 121.4(8) . . ?
C112 C111 C116 118.6(7) . . ?
C112 C111 P1 119.3(6) . . ?
C116 C111 P1 122.0(6) . . ?
C111 C112 C113 122.0(8) . . ?
C114 C113 C112 119.3(8) . . ?
C113 C114 C115 119.7(8) . . ?
C114 C115 C116 120.6(8) . . ?
C115 C116 C111 119.7(8) . . ?
C122 C121 P1 117.7(5) . . ?
O123 C122 C121 110.0(6) . . ?
O123 C130 C135 116.5(7) . . ?
O123 C130 C131 123.3(7) . . ?
C135 C130 C131 120.2(8) . . ?
C132 C131 C130 119.9(7) . . ?
C131 C132 C133 121.8(7) . . ?
C132 C133 C136 122.6(7) . 2_665 ?
C132 C133 C134 119.0(7) . . ?
C136 C133 C134 118.4(7) 2_665 . ?
C139 C134 C135 122.6(7) 2_665 . ?
C139 C134 C133 119.5(7) 2_665 . ?
C135 C134 C133 117.9(7) . . ?
C130 C135 C134 121.2(7) . . ?
C137 C136 C133 121.0(8) . 2_665 ?
C136 C137 C138 120.2(8) . . ?
O223 C138 C139 126.3(8) . . ?
O223 C138 C137 113.4(7) . . ?
C139 C138 C137 120.3(7) . . ?
C138 C139 C134 120.5(8) . 2_665 ?
C202 C201 C206 119.7(8) . . ?
C202 C201 P2 124.3(7) . . ?
C206 C201 P2 116.0(6) . . ?
C203 C202 C201 119.7(8) . . ?
C204 C203 C202 119.9(9) . . ?
C205 C204 C203 120.7(9) . . ?
C204 C205 C206 120.9(9) . . ?
C205 C206 C201 119.1(8) . . ?
C212 C211 C216 118.8(7) . . ?
C212 C211 P2 122.6(6) . . ?
C216 C211 P2 118.4(6) . . ?
C213 C212 C211 120.7(8) . . ?
C214 C213 C212 120.4(8) . . ?
C213 C214 C215 119.7(8) . . ?
C216 C215 C214 120.9(8) . . ?
C215 C216 C211 119.6(8) . . ?
C222 C221 P2 118.9(6) . . ?
O223 C222 C221 108.5(7) . . ?
 
