Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805041784/sj6163sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805041784/sj6163Isup2.hkl |
CCDC reference: 296653
4-Methylpiperidine-1-dithiocarbamic acid (Vogel, 1968) dissolved (0.2 g, 1.14 mmol) in CH2Cl2 (10 ml) was added to a suspension of [PdCl2(PPh3)] (0.5 g, 1.14 mmol) (Kitano et al., 1983) in CH2Cl2 (20 ml). The resulting solution was refluxed for 1 h. Yellow crystals were obtained on slow evaporation of the solvent at room temperature.
H atoms were positioned geometrically (C—H = 0.94–0.98 Å) and refined as riding, with Uiso(H) = 1.2 or 1.5 times Ueq(C).
Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXL97.
Fig. 1. The structure of (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. |
[Pd(C7H12NS2)Cl(C18H15P)] | F(000) = 1176 |
Mr = 578.42 | Dx = 1.530 Mg m−3 |
Monoclinic, P21/n | Melting point: 511 K |
Hall symbol: -P 2yn | Mo Kα radiation, λ = 0.71073 Å |
a = 10.1668 (3) Å | Cell parameters from 13105 reflections |
b = 13.8325 (4) Å | θ = 1.0–26.0° |
c = 17.8608 (4) Å | µ = 1.09 mm−1 |
β = 90.162 (2)° | T = 233 K |
V = 2511.79 (12) Å3 | Prism, yellow |
Z = 4 | 0.2 × 0.12 × 0.1 mm |
Nonius KappaCCD diffractometer | 3853 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.025 |
Graphite monochromator | θmax = 25.0°, θmin = 1.9° |
ϕ and ω scans | h = −12→12 |
13105 measured reflections | k = −16→16 |
4405 independent reflections | l = −21→21 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.026 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.061 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0201P)2 + 2.004P] where P = (Fo2 + 2Fc2)/3 |
4405 reflections | (Δ/σ)max = 0.002 |
280 parameters | Δρmax = 0.39 e Å−3 |
0 restraints | Δρmin = −0.55 e Å−3 |
[Pd(C7H12NS2)Cl(C18H15P)] | V = 2511.79 (12) Å3 |
Mr = 578.42 | Z = 4 |
Monoclinic, P21/n | Mo Kα radiation |
a = 10.1668 (3) Å | µ = 1.09 mm−1 |
b = 13.8325 (4) Å | T = 233 K |
c = 17.8608 (4) Å | 0.2 × 0.12 × 0.1 mm |
β = 90.162 (2)° |
Nonius KappaCCD diffractometer | 3853 reflections with I > 2σ(I) |
13105 measured reflections | Rint = 0.025 |
4405 independent reflections |
R[F2 > 2σ(F2)] = 0.026 | 0 restraints |
wR(F2) = 0.061 | H-atom parameters constrained |
S = 1.05 | Δρmax = 0.39 e Å−3 |
4405 reflections | Δρmin = −0.55 e Å−3 |
280 parameters |
Geometry. 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. |
Refinement. 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. |
x | y | z | Uiso*/Ueq | ||
N1 | −0.1669 (2) | 0.94259 (16) | 1.08327 (12) | 0.0402 (5) | |
P1 | 0.24523 (6) | 0.66612 (4) | 0.96739 (3) | 0.03149 (15) | |
Cl1 | 0.08028 (8) | 0.76177 (6) | 0.82152 (4) | 0.0596 (2) | |
Pd1 | 0.078103 (18) | 0.776406 (13) | 0.951333 (10) | 0.03322 (7) | |
S1 | −0.08623 (6) | 0.89326 (5) | 0.94475 (4) | 0.03767 (15) | |
S2 | 0.03484 (7) | 0.81516 (5) | 1.07391 (4) | 0.04116 (16) | |
C1 | −0.0866 (2) | 0.89244 (18) | 1.04094 (14) | 0.0367 (6) | |
C2 | −0.2678 (3) | 1.0079 (2) | 1.05191 (15) | 0.0452 (7) | |
H2A | −0.2691 | 1.0021 | 0.9972 | 0.054* | |
H2B | −0.2461 | 1.0749 | 1.0647 | 0.054* | |
C3 | −0.4008 (3) | 0.9827 (2) | 1.08267 (15) | 0.0479 (7) | |
H3A | −0.4280 | 0.9199 | 1.0625 | 0.057* | |
H3B | −0.4646 | 1.0311 | 1.0657 | 0.057* | |
C4 | −0.4035 (3) | 0.9781 (2) | 1.16736 (16) | 0.0505 (7) | |
H4 | −0.3858 | 1.0442 | 1.1861 | 0.061* | |
C5 | −0.2944 (3) | 0.9140 (2) | 1.19580 (15) | 0.0511 (7) | |
H5A | −0.2917 | 0.9176 | 1.2506 | 0.061* | |
H5B | −0.3138 | 0.8469 | 1.1820 | 0.061* | |
C6 | −0.1617 (3) | 0.9410 (2) | 1.16547 (15) | 0.0458 (7) | |
H6A | −0.1361 | 1.0049 | 1.1843 | 0.055* | |
H6B | −0.0958 | 0.8940 | 1.1822 | 0.055* | |
C7 | −0.5388 (3) | 0.9489 (3) | 1.19575 (19) | 0.0666 (9) | |
H7A | −0.6045 | 0.9927 | 1.1756 | 0.100* | |
H7B | −0.5398 | 0.9521 | 1.2500 | 0.100* | |
H7C | −0.5582 | 0.8835 | 1.1797 | 0.100* | |
C8 | 0.2215 (2) | 0.55279 (17) | 0.91732 (13) | 0.0315 (5) | |
C9 | 0.0952 (2) | 0.51680 (19) | 0.90778 (15) | 0.0391 (6) | |
H9 | 0.0228 | 0.5524 | 0.9254 | 0.047* | |
C10 | 0.0750 (3) | 0.4293 (2) | 0.87268 (16) | 0.0478 (7) | |
H10 | −0.0107 | 0.4047 | 0.8673 | 0.057* | |
C11 | 0.1808 (3) | 0.37767 (19) | 0.84539 (16) | 0.0462 (7) | |
H11 | 0.1667 | 0.3183 | 0.8210 | 0.055* | |
C12 | 0.3060 (3) | 0.41264 (19) | 0.85367 (15) | 0.0428 (6) | |
H12 | 0.3777 | 0.3774 | 0.8348 | 0.051* | |
C13 | 0.3270 (2) | 0.49979 (19) | 0.88982 (14) | 0.0373 (6) | |
H13 | 0.4132 | 0.5233 | 0.8958 | 0.045* | |
C14 | 0.2766 (2) | 0.62920 (18) | 1.06358 (13) | 0.0335 (5) | |
C15 | 0.3009 (3) | 0.7012 (2) | 1.11688 (14) | 0.0406 (6) | |
H15 | 0.2993 | 0.7665 | 1.1025 | 0.049* | |
C16 | 0.3272 (3) | 0.6771 (2) | 1.19037 (15) | 0.0484 (7) | |
H16 | 0.3445 | 0.7260 | 1.2256 | 0.058* | |
C17 | 0.3281 (3) | 0.5820 (3) | 1.21221 (15) | 0.0539 (8) | |
H17 | 0.3459 | 0.5659 | 1.2623 | 0.065* | |
C18 | 0.3031 (3) | 0.5104 (2) | 1.16079 (16) | 0.0519 (7) | |
H18 | 0.3028 | 0.4454 | 1.1761 | 0.062* | |
C19 | 0.2780 (3) | 0.5334 (2) | 1.08619 (14) | 0.0407 (6) | |
H19 | 0.2621 | 0.4840 | 1.0512 | 0.049* | |
C20 | 0.4055 (2) | 0.70710 (17) | 0.93396 (14) | 0.0351 (6) | |
C21 | 0.5183 (3) | 0.7021 (2) | 0.97746 (15) | 0.0442 (7) | |
H21 | 0.5130 | 0.6805 | 1.0273 | 0.053* | |
C22 | 0.6390 (3) | 0.7286 (2) | 0.94794 (17) | 0.0533 (8) | |
H22 | 0.7151 | 0.7255 | 0.9779 | 0.064* | |
C23 | 0.6476 (3) | 0.7593 (2) | 0.87488 (17) | 0.0537 (8) | |
H23 | 0.7295 | 0.7771 | 0.8549 | 0.064* | |
C24 | 0.5365 (3) | 0.7640 (2) | 0.83131 (16) | 0.0546 (8) | |
H24 | 0.5428 | 0.7842 | 0.7812 | 0.066* | |
C25 | 0.4161 (3) | 0.7392 (2) | 0.86036 (15) | 0.0466 (7) | |
H25 | 0.3403 | 0.7440 | 0.8303 | 0.056* |
U11 | U22 | U33 | U12 | U13 | U23 | |
N1 | 0.0407 (12) | 0.0423 (12) | 0.0378 (12) | 0.0043 (10) | 0.0047 (10) | 0.0054 (10) |
P1 | 0.0330 (3) | 0.0317 (3) | 0.0297 (3) | −0.0008 (3) | −0.0023 (3) | −0.0017 (3) |
Cl1 | 0.0693 (5) | 0.0744 (5) | 0.0349 (4) | 0.0232 (4) | −0.0144 (3) | −0.0113 (3) |
Pd1 | 0.03550 (12) | 0.03133 (11) | 0.03280 (12) | 0.00051 (8) | −0.00382 (8) | −0.00268 (8) |
S1 | 0.0372 (4) | 0.0387 (3) | 0.0370 (3) | 0.0021 (3) | −0.0027 (3) | 0.0012 (3) |
S2 | 0.0460 (4) | 0.0416 (4) | 0.0359 (3) | 0.0074 (3) | 0.0018 (3) | 0.0038 (3) |
C1 | 0.0372 (14) | 0.0322 (13) | 0.0406 (14) | −0.0054 (11) | 0.0006 (12) | 0.0036 (11) |
C2 | 0.0475 (16) | 0.0433 (15) | 0.0448 (15) | 0.0112 (13) | 0.0064 (13) | 0.0094 (12) |
C3 | 0.0459 (16) | 0.0550 (17) | 0.0428 (16) | 0.0080 (13) | −0.0013 (13) | 0.0026 (13) |
C4 | 0.0477 (17) | 0.0546 (18) | 0.0492 (17) | −0.0007 (14) | 0.0076 (14) | −0.0003 (14) |
C5 | 0.0617 (19) | 0.0533 (17) | 0.0383 (15) | 0.0028 (14) | 0.0060 (14) | 0.0061 (13) |
C6 | 0.0487 (17) | 0.0528 (17) | 0.0360 (14) | 0.0086 (13) | 0.0023 (12) | 0.0011 (12) |
C7 | 0.0543 (19) | 0.083 (2) | 0.062 (2) | −0.0053 (18) | 0.0144 (16) | 0.0049 (18) |
C8 | 0.0332 (13) | 0.0324 (13) | 0.0289 (12) | −0.0005 (10) | −0.0008 (10) | 0.0003 (10) |
C9 | 0.0336 (14) | 0.0392 (14) | 0.0445 (15) | −0.0007 (11) | 0.0059 (11) | −0.0025 (12) |
C10 | 0.0408 (16) | 0.0413 (15) | 0.0614 (18) | −0.0110 (13) | −0.0003 (14) | −0.0064 (13) |
C11 | 0.0541 (18) | 0.0350 (14) | 0.0496 (16) | −0.0040 (13) | −0.0023 (13) | −0.0101 (12) |
C12 | 0.0439 (16) | 0.0410 (15) | 0.0436 (15) | 0.0083 (12) | 0.0040 (12) | −0.0061 (12) |
C13 | 0.0304 (13) | 0.0422 (14) | 0.0392 (14) | −0.0002 (11) | −0.0009 (11) | −0.0014 (11) |
C14 | 0.0268 (12) | 0.0431 (14) | 0.0307 (13) | 0.0009 (11) | 0.0005 (10) | −0.0010 (11) |
C15 | 0.0395 (15) | 0.0474 (16) | 0.0348 (14) | −0.0007 (12) | −0.0016 (12) | −0.0030 (11) |
C16 | 0.0413 (16) | 0.068 (2) | 0.0357 (15) | −0.0037 (14) | −0.0001 (12) | −0.0080 (14) |
C17 | 0.0470 (17) | 0.084 (2) | 0.0302 (15) | 0.0038 (16) | 0.0000 (12) | 0.0063 (15) |
C18 | 0.0511 (18) | 0.0580 (18) | 0.0465 (17) | 0.0061 (14) | 0.0051 (14) | 0.0168 (14) |
C19 | 0.0380 (15) | 0.0467 (16) | 0.0374 (14) | 0.0019 (12) | 0.0020 (12) | 0.0020 (12) |
C20 | 0.0387 (14) | 0.0296 (13) | 0.0371 (14) | −0.0049 (11) | −0.0013 (11) | −0.0010 (10) |
C21 | 0.0427 (16) | 0.0508 (16) | 0.0393 (15) | −0.0112 (13) | −0.0015 (12) | 0.0019 (12) |
C22 | 0.0376 (16) | 0.070 (2) | 0.0527 (18) | −0.0169 (14) | −0.0039 (13) | −0.0014 (15) |
C23 | 0.0496 (18) | 0.0606 (19) | 0.0511 (18) | −0.0217 (15) | 0.0102 (15) | 0.0001 (14) |
C24 | 0.0594 (19) | 0.0621 (19) | 0.0423 (16) | −0.0139 (16) | 0.0049 (15) | 0.0088 (14) |
C25 | 0.0454 (16) | 0.0550 (17) | 0.0395 (15) | −0.0070 (13) | −0.0035 (13) | 0.0072 (13) |
N1—C6 | 1.469 (3) | C9—C10 | 1.378 (4) |
N1—C2 | 1.475 (3) | C9—H9 | 0.9400 |
P1—C14 | 1.820 (2) | C10—C11 | 1.380 (4) |
P1—C8 | 1.820 (2) | C10—H10 | 0.9400 |
P1—C20 | 1.827 (3) | C11—C12 | 1.370 (4) |
Pd1—P1 | 2.3009 (7) | C11—H11 | 0.9400 |
Pd1—Cl1 | 2.3276 (7) | C12—C13 | 1.384 (4) |
Pd1—S1 | 2.3274 (7) | C12—H12 | 0.9400 |
Pd1—S2 | 2.2977 (7) | C13—H13 | 0.9400 |
S1—C1 | 1.718 (3) | C14—C19 | 1.385 (4) |
S2—C1 | 1.735 (3) | C14—C15 | 1.399 (4) |
N1—C1 | 1.313 (3) | C15—C16 | 1.380 (4) |
C2—C3 | 1.502 (4) | C15—H15 | 0.9400 |
C2—H2A | 0.9800 | C16—C17 | 1.371 (4) |
C2—H2B | 0.9800 | C16—H16 | 0.9400 |
C3—C4 | 1.514 (4) | C17—C18 | 1.374 (4) |
C3—H3A | 0.9800 | C17—H17 | 0.9400 |
C3—H3B | 0.9800 | C18—C19 | 1.393 (4) |
C4—C5 | 1.507 (4) | C18—H18 | 0.9400 |
C4—C7 | 1.521 (4) | C19—H19 | 0.9400 |
C4—H4 | 0.9900 | C20—C21 | 1.385 (4) |
C5—C6 | 1.503 (4) | C20—C25 | 1.392 (4) |
C5—H5A | 0.9800 | C21—C22 | 1.387 (4) |
C5—H5B | 0.9800 | C21—H21 | 0.9400 |
C6—H6A | 0.9800 | C22—C23 | 1.375 (4) |
C6—H6B | 0.9800 | C22—H22 | 0.9400 |
C7—H7A | 0.9700 | C23—C24 | 1.371 (4) |
C7—H7B | 0.9700 | C23—H23 | 0.9400 |
C7—H7C | 0.9700 | C24—C25 | 1.375 (4) |
C8—C9 | 1.388 (3) | C24—H24 | 0.9400 |
C8—C13 | 1.390 (3) | C25—H25 | 0.9400 |
C1—N1—C6 | 123.2 (2) | H7B—C7—H7C | 109.5 |
C1—N1—C2 | 122.5 (2) | C9—C8—C13 | 118.8 (2) |
C6—N1—C2 | 114.3 (2) | C9—C8—P1 | 119.36 (18) |
C14—P1—C8 | 104.17 (11) | C13—C8—P1 | 121.78 (18) |
C14—P1—C20 | 103.97 (11) | C10—C9—C8 | 120.5 (2) |
C8—P1—C20 | 102.92 (11) | C10—C9—H9 | 119.8 |
C14—P1—Pd1 | 115.54 (8) | C8—C9—H9 | 119.8 |
C8—P1—Pd1 | 114.40 (8) | C9—C10—C11 | 120.0 (2) |
C20—P1—Pd1 | 114.36 (8) | C9—C10—H10 | 120.0 |
S2—Pd1—P1 | 100.32 (2) | C11—C10—H10 | 120.0 |
S2—Pd1—S1 | 75.33 (2) | C12—C11—C10 | 120.3 (2) |
P1—Pd1—S1 | 175.24 (2) | C12—C11—H11 | 119.9 |
S2—Pd1—Cl1 | 166.37 (3) | C10—C11—H11 | 119.9 |
P1—Pd1—Cl1 | 93.29 (2) | C11—C12—C13 | 120.0 (2) |
S1—Pd1—Cl1 | 91.08 (3) | C11—C12—H12 | 120.0 |
C1—S1—Pd1 | 87.06 (9) | C13—C12—H12 | 120.0 |
C1—S2—Pd1 | 87.61 (9) | C12—C13—C8 | 120.4 (2) |
N1—C1—S1 | 125.1 (2) | C12—C13—H13 | 119.8 |
N1—C1—S2 | 124.99 (19) | C8—C13—H13 | 119.8 |
S1—C1—S2 | 109.86 (14) | C19—C14—C15 | 118.7 (2) |
N1—C2—C3 | 110.2 (2) | C19—C14—P1 | 123.04 (19) |
N1—C2—H2A | 109.6 | C15—C14—P1 | 118.23 (19) |
C3—C2—H2A | 109.6 | C16—C15—C14 | 120.6 (3) |
N1—C2—H2B | 109.6 | C16—C15—H15 | 119.7 |
C3—C2—H2B | 109.6 | C14—C15—H15 | 119.7 |
H2A—C2—H2B | 108.1 | C17—C16—C15 | 120.2 (3) |
C2—C3—C4 | 113.2 (2) | C17—C16—H16 | 119.9 |
C2—C3—H3A | 108.9 | C15—C16—H16 | 119.9 |
C4—C3—H3A | 108.9 | C16—C17—C18 | 120.0 (3) |
C2—C3—H3B | 108.9 | C16—C17—H17 | 120.0 |
C4—C3—H3B | 108.9 | C18—C17—H17 | 120.0 |
H3A—C3—H3B | 107.7 | C17—C18—C19 | 120.5 (3) |
C5—C4—C3 | 110.2 (2) | C17—C18—H18 | 119.7 |
C5—C4—C7 | 113.4 (3) | C19—C18—H18 | 119.7 |
C3—C4—C7 | 111.3 (3) | C14—C19—C18 | 119.9 (3) |
C5—C4—H4 | 107.2 | C14—C19—H19 | 120.0 |
C3—C4—H4 | 107.2 | C18—C19—H19 | 120.0 |
C7—C4—H4 | 107.2 | C21—C20—C25 | 118.7 (2) |
C6—C5—C4 | 113.1 (2) | C21—C20—P1 | 122.60 (19) |
C6—C5—H5A | 109.0 | C25—C20—P1 | 118.59 (19) |
C4—C5—H5A | 109.0 | C20—C21—C22 | 120.4 (3) |
C6—C5—H5B | 109.0 | C20—C21—H21 | 119.8 |
C4—C5—H5B | 109.0 | C22—C21—H21 | 119.8 |
H5A—C5—H5B | 107.8 | C23—C22—C21 | 120.1 (3) |
N1—C6—C5 | 109.5 (2) | C23—C22—H22 | 120.0 |
N1—C6—H6A | 109.8 | C21—C22—H22 | 120.0 |
C5—C6—H6A | 109.8 | C24—C23—C22 | 119.9 (3) |
N1—C6—H6B | 109.8 | C24—C23—H23 | 120.1 |
C5—C6—H6B | 109.8 | C22—C23—H23 | 120.1 |
H6A—C6—H6B | 108.2 | C23—C24—C25 | 120.5 (3) |
C4—C7—H7A | 109.5 | C23—C24—H24 | 119.8 |
C4—C7—H7B | 109.5 | C25—C24—H24 | 119.8 |
H7A—C7—H7B | 109.5 | C24—C25—C20 | 120.5 (3) |
C4—C7—H7C | 109.5 | C24—C25—H25 | 119.8 |
H7A—C7—H7C | 109.5 | C20—C25—H25 | 119.8 |
Experimental details
Crystal data | |
Chemical formula | [Pd(C7H12NS2)Cl(C18H15P)] |
Mr | 578.42 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 233 |
a, b, c (Å) | 10.1668 (3), 13.8325 (4), 17.8608 (4) |
β (°) | 90.162 (2) |
V (Å3) | 2511.79 (12) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 1.09 |
Crystal size (mm) | 0.2 × 0.12 × 0.1 |
Data collection | |
Diffractometer | Nonius KappaCCD diffractometer |
Absorption correction | – |
No. of measured, independent and observed [I > 2σ(I)] reflections | 13105, 4405, 3853 |
Rint | 0.025 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.026, 0.061, 1.05 |
No. of reflections | 4405 |
No. of parameters | 280 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.39, −0.55 |
Computer programs: COLLECT (Nonius, 1998), SCALEPACK (Otwinowski & Minor, 1997), DENZO (Otwinowski & Minor, 1997) and SCALEPACK, SHELXS97 (Sheldrick, 1997a), SHELXL97 (Sheldrick, 1997a), SHELXTL (Sheldrick, 1997b), SHELXL97.
Pd1—P1 | 2.3009 (7) | S1—C1 | 1.718 (3) |
Pd1—Cl1 | 2.3276 (7) | S2—C1 | 1.735 (3) |
Pd1—S1 | 2.3274 (7) | N1—C1 | 1.313 (3) |
Pd1—S2 | 2.2977 (7) | ||
S2—Pd1—P1 | 100.32 (2) | C1—S1—Pd1 | 87.06 (9) |
S2—Pd1—S1 | 75.33 (2) | C1—S2—Pd1 | 87.61 (9) |
P1—Pd1—S1 | 175.24 (2) | N1—C1—S1 | 125.1 (2) |
S2—Pd1—Cl1 | 166.37 (3) | N1—C1—S2 | 124.99 (19) |
P1—Pd1—Cl1 | 93.29 (2) | S1—C1—S2 | 109.86 (14) |
S1—Pd1—Cl1 | 91.08 (3) |
Palladium(II) complexes with sulfur and phosphorus donor ligands are of current interest due to their ability to sequester the metal ion (Faraglia et al., 2005), their antitumor activity against leukaemic cells (Mital et al., 1989; Tiekink, 2002), and their use as pesticides (Fackler, 2002) and antimicrobial agents (Ronconi et al., 2005), while palladium(II)–phosphine complexes are also important from a catalytic point of view (Crawforth et al., 2005; Tsuji, 1995), e.g. [Pd(PPh3)2(CN)2] (Hua et al., 2001), [Pd(PPh3)2Cl2] (Nicholas, 1987).
In the title compound, (I), the dithiocarbamate ligand acts as a bidentate chelate, coordinating to Pd via both S atoms. Atom S2 is trans to the chloride anion and atom S1 trans to the triphenylphosphine ligand (Fig. 1 and Table 1). The coordination geometry about the Pd atom is distorted square planar and the deviation of the Pd1 atom from the mean plane through the ligand donor atoms is only 0.0103 (4) Å.