##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis(methyl xanthato)-κS;κ²S:S'-
(triphenylphosphane-κP)palladium(II)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C22 H21 O2 P Pd S4'
_chemical_formula_sum     'C22 H21 O2 P Pd S4'
_chemical_formula_iupac     '[Pd (C2 H3 O S2)2 (C18 H15 P)]'
_chemical_formula_weight     583.00
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.5595(10)
_cell_length_b     9.5883(10)
_cell_length_c     14.4661(16)
_cell_angle_alpha     73.6190(10)
_cell_angle_beta     87.492(2)
_cell_angle_gamma     69.6170(10)
_cell_volume     1190.3(2)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     8044
_cell_measurement_theta_min     2.28
_cell_measurement_theta_max     25.41
_cell_measurement_temperature     298(2)
_cell_special_details     ?
_exptl_crystal_description     Prism
_exptl_crystal_colour     Orange
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.22
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     1.627
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     588
_exptl_absorpt_coefficient_mu     1.215
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details     '(SADABS, Bruker, 1999)'
_exptl_absorpt_correction_T_min     0.7123
_exptl_absorpt_correction_T_max     0.8165
_exptl_special_details     ?
_diffrn_ambient_temperature     298(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type
;
Bruker SMART APEX CCD area-detector
;
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     0.83
_diffrn_reflns_number     9954
_diffrn_reflns_av_R_equivalents     0.0252
_diffrn_reflns_av_sigmaI/netI     0.0260
_diffrn_reflns_theta_min     2.36
_diffrn_reflns_theta_max     25.41
_diffrn_reflns_theta_full     25.41
_diffrn_measured_fraction_theta_max     0.993
_diffrn_measured_fraction_theta_full     0.993
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     17
_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 >
σ(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.
;
_reflns_number_total     4371
_reflns_number_gt     4021
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0275
_refine_ls_R_factor_gt     0.0253
_refine_ls_wR_factor_gt     0.0634
_refine_ls_wR_factor_ref     0.0643
_refine_ls_goodness_of_fit_ref     1.098
_refine_ls_restrained_S_all     1.098
_refine_ls_number_reflns     4371
_refine_ls_number_parameters     274
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0336P)²+0.1780P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.315
_refine_diff_density_min     -0.420
_refine_ls_extinction_method     'SHELXTL (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0063(7)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
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'
    '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'
    'Pd' 'Pd' -0.9988 1.0072
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1999)'
_computing_cell_refinement     'SAINT (Bruker, 1999)'
_computing_data_reduction     'SAINT (Bruker, 1999)'
_computing_structure_solution     'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
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
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Pd Pd 0.557109(17) 0.946630(17) 0.158062(11) 0.03533(8) Uani d . 1 1 . .
    S S1 0.62793(7) 1.11131(6) 0.02530(4) 0.04484(15) Uani d . 1 1 . .
    S S2 0.77698(7) 0.78738(7) 0.10997(4) 0.04619(15) Uani d . 1 1 . .
    S S3 0.34534(7) 1.12011(7) 0.20223(4) 0.04483(15) Uani d . 1 1 . .
    S S4 0.16108(9) 1.44896(8) 0.16359(6) 0.0674(2) Uani d . 1 1 . .
    P P 0.53719(6) 0.75832(6) 0.29129(4) 0.03699(14) Uani d . 1 1 . .
    C C1 0.6235(2) 0.5585(2) 0.28557(16) 0.0402(5) Uani d . 1 1 . .
    C C2 0.5382(3) 0.4710(3) 0.2782(2) 0.0540(6) Uani d . 1 1 . .
    H H2 0.4346 0.5130 0.2779 0.065 Uiso calc R 1 1 . .
    C C3 0.6064(3) 0.3212(3) 0.2714(2) 0.0673(8) Uani d . 1 1 . .
    H H3 0.5482 0.2633 0.2661 0.081 Uiso calc R 1 1 . .
    C C4 0.7577(4) 0.2585(3) 0.2723(2) 0.0650(8) Uani d . 1 1 . .
    H H4 0.8027 0.1579 0.2676 0.078 Uiso calc R 1 1 . .
    C C5 0.8448(3) 0.3428(3) 0.2801(2) 0.0614(7) Uani d . 1 1 . .
    H H5 0.9484 0.2992 0.2811 0.074 Uiso calc R 1 1 . .
    C C6 0.7775(3) 0.4931(3) 0.28646(18) 0.0511(6) Uani d . 1 1 . .
    H H6 0.8364 0.5503 0.2914 0.061 Uiso calc R 1 1 . .
    C C7 0.6282(3) 0.7628(3) 0.39762(16) 0.0431(5) Uani d . 1 1 . .
    C C8 0.6358(3) 0.9006(3) 0.40261(19) 0.0527(6) Uani d . 1 1 . .
    H H8 0.5990 0.9893 0.3507 0.063 Uiso calc R 1 1 . .
    C C9 0.6979(3) 0.9080(4) 0.4844(2) 0.0683(8) Uani d . 1 1 . .
    H H9 0.7010 1.0024 0.4876 0.082 Uiso calc R 1 1 . .
    C C10 0.7548(3) 0.7795(4) 0.5605(2) 0.0745(9) Uani d . 1 1 . .
    H H10 0.7967 0.7856 0.6154 0.089 Uiso calc R 1 1 . .
    C C11 0.7498(4) 0.6417(4) 0.5555(2) 0.0845(10) Uani d . 1 1 . .
    H H11 0.7905 0.5528 0.6067 0.101 Uiso calc R 1 1 . .
    C C12 0.6853(4) 0.6327(3) 0.4754(2) 0.0739(9) Uani d . 1 1 . .
    H H12 0.6801 0.5384 0.4735 0.089 Uiso calc R 1 1 . .
    C C13 0.3460(2) 0.7770(2) 0.32140(16) 0.0409(5) Uani d . 1 1 . .
    C C14 0.2973(3) 0.7726(3) 0.41336(19) 0.0536(6) Uani d . 1 1 . .
    H H14 0.3635 0.7585 0.4632 0.064 Uiso calc R 1 1 . .
    C C15 0.1497(3) 0.7892(4) 0.4307(2) 0.0727(9) Uani d . 1 1 . .
    H H15 0.1165 0.7875 0.4923 0.087 Uiso calc R 1 1 . .
    C C16 0.0524(3) 0.8082(4) 0.3579(3) 0.0754(9) Uani d . 1 1 . .
    H H16 -0.0466 0.8190 0.3701 0.090 Uiso calc R 1 1 . .
    C C17 0.1000(3) 0.8112(3) 0.2669(2) 0.0656(8) Uani d . 1 1 . .
    H H17 0.0340 0.8219 0.2179 0.079 Uiso calc R 1 1 . .
    C C18 0.2455(3) 0.7983(3) 0.24803(18) 0.0521(6) Uani d . 1 1 . .
    H H18 0.2766 0.8039 0.1857 0.063 Uiso calc R 1 1 . .
    C C19 0.7744(2) 0.9505(3) 0.02430(16) 0.0398(5) Uani d . 1 1 . .
    O O20 0.87376(17) 0.95924(18) -0.03937(12) 0.0483(4) Uani d . 1 1 . .
    C C21 0.9931(3) 0.8175(3) -0.0439(2) 0.0579(7) Uani d . 1 1 . .
    H H21A 1.0437 0.7637 0.0187 0.087 Uiso calc R 1 1 . .
    H H21B 1.0629 0.8431 -0.0894 0.087 Uiso calc R 1 1 . .
    H H21C 0.9516 0.7522 -0.0641 0.087 Uiso calc R 1 1 . .
    C C22 0.2955(2) 1.3103(3) 0.13247(16) 0.0414(5) Uani d . 1 1 . .
    O O23 0.3687(2) 1.33360(19) 0.05373(13) 0.0590(5) Uani d . 1 1 . .
    C C24 0.3206(4) 1.4853(3) -0.0161(2) 0.0767(9) Uani d . 1 1 . .
    H H24A 0.2189 1.5127 -0.0385 0.115 Uiso calc R 1 1 . .
    H H24B 0.3835 1.4834 -0.0697 0.115 Uiso calc R 1 1 . .
    H H24C 0.3276 1.5606 0.0137 0.115 Uiso calc R 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Pd P . 2.2924(6) ?
    Pd S3 . 2.3267(6) .
    Pd S2 . 2.3386(6) .
    Pd S1 . 2.3581(6) .
    S1 C19 . 1.687(2) ?
    S2 C19 . 1.692(2) ?
    S3 C22 . 1.723(2) ?
    S4 C22 . 1.649(2) ?
    P C7 . 1.818(2) ?
    P C13 . 1.819(2) ?
    P C1 . 1.827(2) ?
    C1 C2 . 1.383(3) ?
    C1 C6 . 1.384(3) ?
    C2 C3 . 1.386(4) ?
    C2 H2 . 0.9300 ?
    C3 C4 . 1.359(4) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.373(4) ?
    C4 H4 . 0.9300 ?
    C5 C6 . 1.387(4) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C7 C8 . 1.371(3) ?
    C7 C12 . 1.381(3) ?
    C8 C9 . 1.377(4) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.359(4) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.361(5) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.373(4) ?
    C11 H11 . 0.9300 ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.384(3) ?
    C13 C18 . 1.386(3) ?
    C14 C15 . 1.384(4) ?
    C14 H14 . 0.9300 ?
    C15 C16 . 1.367(5) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.369(4) ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.375(4) ?
    C17 H17 . 0.9300 ?
    C18 H18 . 0.9300 ?
    C19 O20 . 1.301(3) ?
    O20 C21 . 1.455(3) ?
    C21 H21A . 0.9600 ?
    C21 H21B . 0.9600 ?
    C21 H21C . 0.9600 ?
    C22 O23 . 1.316(3) ?
    O23 C24 . 1.447(3) ?
    C24 H24A . 0.9600 ?
    C24 H24B . 0.9600 ?
    C24 H24C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    P Pd S3 . . 88.08(2) ?
    P Pd S2 . . 95.32(2) ?
    S3 Pd S2 . . 175.72(2) ?
    P Pd S1 . . 168.78(2) ?
    S3 Pd S1 . . 101.78(2) ?
    S2 Pd S1 . . 74.60(2) ?
    C19 S1 Pd . . 85.06(8) ?
    C19 S2 Pd . . 85.56(8) ?
    C22 S3 Pd . . 115.44(8) ?
    C7 P C13 . . 105.95(10) ?
    C7 P C1 . . 104.63(10) ?
    C13 P C1 . . 104.52(10) ?
    C7 P Pd . . 110.69(8) ?
    C13 P Pd . . 114.35(7) ?
    C1 P Pd . . 115.78(7) ?
    C2 C1 C6 . . 118.7(2) ?
    C2 C1 P . . 121.55(18) ?
    C6 C1 P . . 119.78(18) ?
    C1 C2 C3 . . 120.4(2) ?
    C1 C2 H2 . . 119.8 ?
    C3 C2 H2 . . 119.8 ?
    C4 C3 C2 . . 120.3(3) ?
    C4 C3 H3 . . 119.9 ?
    C2 C3 H3 . . 119.9 ?
    C3 C4 C5 . . 120.4(3) ?
    C3 C4 H4 . . 119.8 ?
    C5 C4 H4 . . 119.8 ?
    C4 C5 C6 . . 119.7(3) ?
    C4 C5 H5 . . 120.2 ?
    C6 C5 H5 . . 120.2 ?
    C1 C6 C5 . . 120.6(2) ?
    C1 C6 H6 . . 119.7 ?
    C5 C6 H6 . . 119.7 ?
    C8 C7 C12 . . 118.7(2) ?
    C8 C7 P . . 119.16(18) ?
    C12 C7 P . . 122.1(2) ?
    C7 C8 C9 . . 120.1(3) ?
    C7 C8 H8 . . 120.0 ?
    C9 C8 H8 . . 120.0 ?
    C10 C9 C8 . . 121.1(3) ?
    C10 C9 H9 . . 119.5 ?
    C8 C9 H9 . . 119.5 ?
    C9 C10 C11 . . 119.2(3) ?
    C9 C10 H10 . . 120.4 ?
    C11 C10 H10 . . 120.4 ?
    C10 C11 C12 . . 120.6(3) ?
    C10 C11 H11 . . 119.7 ?
    C12 C11 H11 . . 119.7 ?
    C11 C12 C7 . . 120.3(3) ?
    C11 C12 H12 . . 119.8 ?
    C7 C12 H12 . . 119.8 ?
    C14 C13 C18 . . 119.3(2) ?
    C14 C13 P . . 122.88(19) ?
    C18 C13 P . . 117.85(18) ?
    C15 C14 C13 . . 119.7(3) ?
    C15 C14 H14 . . 120.2 ?
    C13 C14 H14 . . 120.2 ?
    C16 C15 C14 . . 120.4(3) ?
    C16 C15 H15 . . 119.8 ?
    C14 C15 H15 . . 119.8 ?
    C15 C16 C17 . . 120.3(3) ?
    C15 C16 H16 . . 119.9 ?
    C17 C16 H16 . . 119.9 ?
    C16 C17 C18 . . 120.0(3) ?
    C16 C17 H17 . . 120.0 ?
    C18 C17 H17 . . 120.0 ?
    C17 C18 C13 . . 120.3(3) ?
    C17 C18 H18 . . 119.8 ?
    C13 C18 H18 . . 119.8 ?
    O20 C19 S1 . . 119.69(17) ?
    O20 C19 S2 . . 125.54(17) ?
    S1 C19 S2 . . 114.77(13) ?
    C19 O20 C21 . . 118.96(19) ?
    O20 C21 H21A . . 109.5 ?
    O20 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    O20 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    O23 C22 S4 . . 123.92(17) ?
    O23 C22 S3 . . 115.46(16) ?
    S4 C22 S3 . . 120.60(14) ?
    C22 O23 C24 . . 119.4(2) ?
    O23 C24 H24A . . 109.5 ?
    O23 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    O23 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    P Pd S1 C19 . . . . 26.14(14) ?
    S3 Pd S1 C19 . . . . 177.19(8) ?
    S2 Pd S1 C19 . . . . -0.47(8) ?
    P Pd S2 C19 . . . . -174.52(8) ?
    S3 Pd S2 C19 . . . . -32.0(3) ?
    S1 Pd S2 C19 . . . . 0.46(8) ?
    P Pd S3 C22 . . . . 174.99(9) ?
    S2 Pd S3 C22 . . . . 32.3(3) ?
    S1 Pd S3 C22 . . . . 0.40(9) ?
    S3 Pd P C7 . . . . -85.16(8) ?
    S2 Pd P C7 . . . . 92.24(8) ?
    S1 Pd P C7 . . . . 66.54(14) ?
    S3 Pd P C13 . . . . 34.40(8) ?
    S2 Pd P C13 . . . . -148.20(8) ?
    S1 Pd P C13 . . . . -173.90(12) ?
    S3 Pd P C1 . . . . 156.01(8) ?
    S2 Pd P C1 . . . . -26.60(8) ?
    S1 Pd P C1 . . . . -52.30(14) ?
    C7 P C1 C2 . . . . 127.6(2) ?
    C13 P C1 C2 . . . . 16.5(2) ?
    Pd P C1 C2 . . . . -110.26(19) ?
    C7 P C1 C6 . . . . -53.8(2) ?
    C13 P C1 C6 . . . . -164.93(19) ?
    Pd P C1 C6 . . . . 68.3(2) ?
    C6 C1 C2 C3 . . . . -0.4(4) ?
    P C1 C2 C3 . . . . 178.2(2) ?
    C1 C2 C3 C4 . . . . 0.3(5) ?
    C2 C3 C4 C5 . . . . 0.1(5) ?
    C3 C4 C5 C6 . . . . -0.4(5) ?
    C2 C1 C6 C5 . . . . 0.0(4) ?
    P C1 C6 C5 . . . . -178.6(2) ?
    C4 C5 C6 C1 . . . . 0.4(4) ?
    C13 P C7 C8 . . . . -95.7(2) ?
    C1 P C7 C8 . . . . 154.22(19) ?
    Pd P C7 C8 . . . . 28.8(2) ?
    C13 P C7 C12 . . . . 81.9(3) ?
    C1 P C7 C12 . . . . -28.2(3) ?
    Pd P C7 C12 . . . . -153.6(2) ?
    C12 C7 C8 C9 . . . . -0.8(4) ?
    P C7 C8 C9 . . . . 176.9(2) ?
    C7 C8 C9 C10 . . . . 1.2(4) ?
    C8 C9 C10 C11 . . . . -0.1(5) ?
    C9 C10 C11 C12 . . . . -1.4(5) ?
    C10 C11 C12 C7 . . . . 1.8(6) ?
    C8 C7 C12 C11 . . . . -0.7(5) ?
    P C7 C12 C11 . . . . -178.3(3) ?
    C7 P C13 C14 . . . . -7.9(2) ?
    C1 P C13 C14 . . . . 102.3(2) ?
    Pd P C13 C14 . . . . -130.10(18) ?
    C7 P C13 C18 . . . . 171.35(18) ?
    C1 P C13 C18 . . . . -78.4(2) ?
    Pd P C13 C18 . . . . 49.2(2) ?
    C18 C13 C14 C15 . . . . 0.1(4) ?
    P C13 C14 C15 . . . . 179.3(2) ?
    C13 C14 C15 C16 . . . . 0.8(4) ?
    C14 C15 C16 C17 . . . . -0.2(5) ?
    C15 C16 C17 C18 . . . . -1.3(5) ?
    C16 C17 C18 C13 . . . . 2.2(4) ?
    C14 C13 C18 C17 . . . . -1.5(4) ?
    P C13 C18 C17 . . . . 179.2(2) ?
    Pd S1 C19 O20 . . . . -179.27(18) ?
    Pd S1 C19 S2 . . . . 0.68(11) ?
    Pd S2 C19 O20 . . . . 179.3(2) ?
    Pd S2 C19 S1 . . . . -0.69(11) ?
    S1 C19 O20 C21 . . . . -175.44(16) ?
    S2 C19 O20 C21 . . . . 4.6(3) ?
    Pd S3 C22 O23 . . . . 9.4(2) ?
    Pd S3 C22 S4 . . . . -172.25(10) ?
    S4 C22 O23 C24 . . . . -6.8(4) ?
    S3 C22 O23 C24 . . . . 171.4(2) ?
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
    C18 H18 O20 2_675 0.93 2.643 3.211 120.0 yes
data_global
_journal_date_recd_electronic     2011-09-23
_journal_date_accepted     2011-10-02
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue     11
_journal_page_first     m1518
_journal_page_last     m1518
_journal_paper_category     QM
_journal_coeditor_code     BT5655
_publ_contact_author_name     'Hernández-Ortega Simón'
_publ_contact_author_address
;
Instituto de Química
Universidad Nacional Autónoma de México
circuito exterior, ciudad universitaria,
México 04510, Mexico
;
_publ_contact_author_email     'simonho@unam.mx'
_publ_contact_author_fax     '+52 55 5616 2203'
_publ_contact_author_phone     '+52 55 5622 4415 '
_publ_section_title
;\
Bis(methyl
xanthato)-κS;κ²S:S'-(triphenylphosphane-κP)\
palladium(II)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Reyes-Martínez, Reyna' .
;
Instituto de Química
Universidad Nacional Autónoma de México
Circuito Exterior, Ciudad Universitaria,
México, D. F., 04510, Mexico
;
    'Hernández-Ortega, Simón ' .
;
Instituto de Química
Universidad Nacional Autónoma de México
Circuito Exterior, Ciudad Universitaria,
México, D. F., 04510, Mexico
;
    'Morales-Morales, David' .
;
Instituto de Química
Universidad Nacional Autónoma de México
Circuito Exterior, Ciudad Universitaria,
México, D. F., 04510, Mexico
;
