cis-Bis­[2-(diphenyl­phosphino)benzene­thiolato-κ2P,S]palladium(II)

Fierro-Arias, J.; Morales-Morales, D.; Hernández-Ortega, S.

doi:10.1107/S1600536808026718

metal-organic compounds

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ISSN: 2056-9890

Volume 64| Part 9| September 2008| Page m1196

doi:10.1107/S1600536808026718

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cis-Bis[2-(diphenylphosphino)benzenethiolato-κ²P,S]palladium(II)

Jaime Fierro-Arias,^a David Morales-Morales ^a ^* and Simón Hernández-Ortega ^a ^*

^aInstituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, México 04510, D. F., México.
^*Correspondence e-mail: damor@servidor.unam.mx, simonho@servidor.unam.mx

(Received 4 July 2008; accepted 19 August 2008; online 23 August 2008)

The title compound, [Pd(C₁₈H₁₄PS)₂], was synthesized by the reaction of (Ph₂PC₆H₄SH) with [PdCl₂(NCC₆H₅)₂] in a 2:1 molar ratio in the presence of a slight excess of NEt₃as base in dichloromethane. The compound crystallizes with the Pd(II) atom on a twofold rotation axis. The palladium center has a slightly distorted square-planar environment, with the two P—S chelating ligands adopting a cis configuration. The present structure is a pseudo-polymorph of [Pd(C₁₈H₁₄PS)₂]·CH₂Cl₂.

Related literature

For related literature, see: Andreasen et al. (1999 ); Braunstein & Naud (2001 ); Real et al. (2000 ); Canseco-Gonzalez et al. (2003 , 2004 ); Dilworth & Weatley (2000 ); Dilworth et al. (2000 ); Gómez-Benítez et al. (2003 , 2007a ,b ); Morales-Morales et al. (2002a ,b ); Ortner et al. (2000 ); Ríos-Moreno et al. (2005 ); Taguchi et al. (1999 ).

Experimental

Crystal data

[Pd(C₁₈H₁₄PS)₂]
M_r = 693.04
Trigonal, P 3₂ 21
a = 9.306 (1) Å
c = 30.069 (8) Å
V = 2255.2 (7) Å³
Z = 3
Mo Kα radiation
μ = 0.89 mm⁻¹
T = 298 (2) K
0.16 × 0.07 × 0.04 mm

Data collection

Bruker SMART APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.877, T_max = 0.967
18737 measured reflections
2749 independent reflections
1811 reflections with I > 2σ(I)
R_int = 0.113

Refinement

R[F² > 2σ(F²)] = 0.046
wR(F²) = 0.084
S = 0.82
2749 reflections
186 parameters
H-atom parameters constrained
Δρ_max = 1.40 e Å⁻³
Δρ_min = −0.31 e Å⁻³
Absolute structure: Flack (1983 ), 1113 Friedel Pairs
Flack parameter: −0.05 (6)

Table 1
Selected geometric parameters (Å, °)

Pd—P1	2.2861 (18)
Pd—S1	2.316 (2)

P1ⁱ—Pd—P1	101.33 (9)
P1ⁱ—Pd—S1	171.41 (7)
P1—Pd—S1	86.90 (7)
S1—Pd—S1ⁱ	85.00 (11)
Symmetry code: (i) y, x, -z.

Data collection: SMART (Bruker, 1999 ); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablock I. DOI: 10.1107/S1600536808026718/bt2741sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808026718/bt2741Isup2.hkl

checkCIF report

Comment top

In recent years, attention has increasingly been paid to the coordination chemistry of polydentate ligands incorporating both thiolate and tertiary phosphine donor ligands, as their combination is likely to confer unusual structures and reactivities on their metal complexes (Dilworth, et al., 2000; Morales-Morales et al., 2002a; Gómez-Benítez et al., 2003). These complexes have shown an intriguing variety of structures (Andreasen et al. 1999; Taguchi et al., 1999) or unusual oxidation states and enhanced solubility (Ortner et al., 2000), making these species excellent candidates for further studies in reactivity. Moreover, the presence of these ligands in the coordination sphere of transition metal complexes may render interesting behaviours in solution as these ligands can be capable of full or partial de-ligation (hemilability) (Dilworth & Weatley, 2000; Braunstein & Naud, 2001) being able to provide important extra coordination sites for incoming substrates during a catalytic process (Dilworth & Weatley, 2000, Braunstein & Naud, 2001). Thus, given our continuous interest in the synthesis of transition metal complexes bearing P—S hybrid ligands (Morales-Morales et al., 2002a, 2002b; Gómez-Benítez et al., 2007a, 2007b; Ríos-Moreno et al., 2005; Canseco-Gonzalez et al., 2003, 2004) we report the crystal structure of a pseudo-polymorph of the Pd(II) complex cis- [Pd(Ph₂PC₆H₄-2-S)₂] (Real et al., 2000; Canseco-Gonzalez et al., 2003)

The asymmetric unit cointains only half of molecule, with the Pd atom in special position of site symmetry 2. The structure of the title compound is shown with the numbering scheme in Fig. 1. The geometric parameters do not differ significantly from the values reported in the previously described polymorphs. The complex exhibits the Pd center into a slightly distorted square planar environment with the two P—S chelating ligands adopting a cis conformation.

Related literature top

For related literature, see: Andreasen et al. (1999); Braunstein & Naud (2001); Real et al. (2000); Canseco-Gonzalez et al. (2003, 2004); Dilworth & Weatley (2000); Dilworth et al. (2000); Gómez-Benítez et al. (2003, 2007a,b); Morales-Morales, Redón, Zheng & Dilworth (2002a,b); Ortner et al. (2000); Ríos-Moreno et al. (2005); Taguchi et al. (1999).

Experimental top

Synthesis of cis-[Pd(Ph₂PC₆H₄–2-S)₂] (I). To a solution of (Ph₂PC₆H₄–2-SH) (34 mg, 0.12 mmol) in CH₂Cl₂ (20 ml), NEt₃ (13 mg, 0.13 mmol) and a CH₂Cl₂ solution (30 ml) of [Pd(Cl)₂(NCC₆H₅)₂] (22 mg, 0.058 mmol) were added under stirring. The resulting mixture was allowed to stir overnight. After this time, formation of a pale yellow precipitated was noticed, the product was filtered off under vacuum and washed twice with methanol. Recrystallization from a double layer solvent system CH₂Cl₂/MeOH afforded complex I as a microcrystalline yellow powder. Yield 87.5%. ¹H-NMR (300 MHz, CDCl₃), (7.71–6.79 (m, Ph, 28H); ³¹P-NMR (121 MHz, CDCl₃), (-42.42 (s). Elem. Anal. Calculated for [C₃₆H₂₈P₂S₂Pd] Calc. %: C: 64.20, H: 4.00. Found %: C: 64.00, H: 4.20. MS-FAB⁺ [M⁺] = 692 m/z.

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SMART (Bruker, 1999); data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

Fig. 1. Molecular structure of the title compound with the atoms numbering scheme. Displacement ellipsoids are shown at the 40% probability level. All H atoms have been omitted for clarity. The symmetry operator for generating equivalent atoms symmetry operator; y, x, -z.

cis-Bis[2-(diphenylphosphino)benzenethiolato- κ²P,S]palladium(II) top

Crystal data top

[Pd(C₁₈H₁₄PS)₂]	D_x = 1.531 Mg m⁻³
M_r = 693.04	Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3₂2₁	Cell parameters from 2935 reflections
Hall symbol: P 32 2"	θ = 2.5–19.9°
a = 9.306 (1) Å	µ = 0.89 mm⁻¹
c = 30.069 (8) Å	T = 298 K
V = 2255.2 (7) Å³	Prism, yellow
Z = 3	0.16 × 0.07 × 0.04 mm
F(000) = 1056

Data collection top

Bruker SMART APEX CCD area-detector diffractometer	2749 independent reflections
Radiation source: fine-focus sealed tube	1811 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.113
Detector resolution: 0.83 pixels mm^-1	θ_max = 25.3°, θ_min = 2.0°
ω scans	h = −11→11
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	k = −11→11
T_min = 0.877, T_max = 0.967	l = −36→36
18737 measured reflections

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.046	H-atom parameters constrained
wR(F²) = 0.084	w = 1/[σ²(F_o²) + (0.025P)²] where P = (F_o² + 2F_c²)/3
S = 0.82	(Δ/σ)_max = 0.001
2749 reflections	Δρ_max = 1.40 e Å⁻³
186 parameters	Δρ_min = −0.31 e Å⁻³
0 restraints	Absolute structure: Flack (1983), 1113 Friedel Pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.05 (6)

Crystal data top

[Pd(C₁₈H₁₄PS)₂]	Z = 3
M_r = 693.04	Mo Kα radiation
Trigonal, P3₂2₁	µ = 0.89 mm⁻¹
a = 9.306 (1) Å	T = 298 K
c = 30.069 (8) Å	0.16 × 0.07 × 0.04 mm
V = 2255.2 (7) Å³

Data collection top

Bruker SMART APEX CCD area-detector diffractometer	2749 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	1811 reflections with I > 2σ(I)
T_min = 0.877, T_max = 0.967	R_int = 0.113
18737 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.046	H-atom parameters constrained
wR(F²) = 0.084	Δρ_max = 1.40 e Å⁻³
S = 0.82	Δρ_min = −0.31 e Å⁻³
2749 reflections	Absolute structure: Flack (1983), 1113 Friedel Pairs
186 parameters	Absolute structure parameter: −0.05 (6)
0 restraints

Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Pd	0.48559 (7)	0.48559 (7)	0.0000	0.0377 (2)
P1	0.2993 (2)	0.3605 (2)	0.05647 (6)	0.0399 (5)
S1	0.6481 (2)	0.6901 (2)	0.05082 (7)	0.0592 (6)
C1	0.5327 (8)	0.6409 (8)	0.0997 (2)	0.0408 (18)
C2	0.3770 (9)	0.4982 (8)	0.1037 (2)	0.0397 (18)
C3	0.2892 (10)	0.4667 (9)	0.1433 (2)	0.060 (2)
H3	0.1854	0.3719	0.1458	0.072*
C4	0.3528 (12)	0.5730 (12)	0.1790 (2)	0.072 (3)
H4	0.2918	0.5509	0.2051	0.086*
C5	0.5077 (12)	0.7126 (11)	0.1757 (3)	0.069 (3)
H5	0.5526	0.7837	0.1999	0.083*
C6	0.5958 (10)	0.7467 (9)	0.1367 (2)	0.059 (2)
H6	0.6995	0.8419	0.1347	0.070*
C7	0.2670 (9)	0.1641 (8)	0.0782 (2)	0.0457 (19)
C8	0.1239 (11)	0.0432 (10)	0.0973 (3)	0.076 (3)
H8	0.0317	0.0570	0.0987	0.091*
C9	0.1143 (15)	−0.0996 (12)	0.1145 (3)	0.095 (3)
H9	0.0142	−0.1808	0.1265	0.114*
C10	0.2415 (15)	−0.1239 (12)	0.1144 (3)	0.083 (3)
H10	0.2336	−0.2182	0.1275	0.100*
C11	0.3848 (12)	−0.0089 (12)	0.0949 (3)	0.085 (3)
H11	0.4754	−0.0254	0.0939	0.102*
C12	0.3967 (11)	0.1320 (11)	0.0765 (2)	0.064 (2)
H12	0.4949	0.2079	0.0625	0.077*
C13	0.0948 (8)	0.3330 (8)	0.0457 (2)	0.0414 (19)
C14	0.0640 (11)	0.4611 (12)	0.0535 (2)	0.064 (2)
H14	0.1450	0.5570	0.0673	0.076*
C15	−0.0844 (10)	0.4507 (12)	0.0413 (3)	0.065 (3)
H15	−0.1031	0.5386	0.0465	0.078*
C16	−0.2044 (12)	0.3062 (16)	0.0212 (3)	0.094 (4)
H16	−0.3033	0.2980	0.0118	0.113*
C17	−0.1781 (11)	0.1752 (13)	0.0151 (3)	0.105 (3)
H17	−0.2609	0.0766	0.0029	0.125*
C18	−0.0297 (10)	0.1907 (11)	0.0272 (3)	0.080 (3)
H18	−0.0127	0.1014	0.0228	0.096*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Pd	0.0332 (3)	0.0332 (3)	0.0451 (4)	0.0155 (4)	−0.0016 (2)	0.0016 (2)
P1	0.0406 (11)	0.0357 (12)	0.0438 (12)	0.0193 (9)	−0.0009 (9)	0.0022 (9)
S1	0.0476 (13)	0.0509 (13)	0.0634 (14)	0.0129 (10)	−0.0031 (10)	−0.0121 (11)
C1	0.051 (5)	0.038 (4)	0.042 (4)	0.029 (4)	−0.011 (4)	−0.002 (3)
C2	0.050 (5)	0.041 (4)	0.037 (4)	0.029 (4)	−0.002 (4)	0.000 (3)
C3	0.094 (7)	0.061 (5)	0.034 (5)	0.046 (5)	−0.007 (5)	−0.002 (4)
C4	0.105 (8)	0.091 (7)	0.038 (5)	0.064 (7)	0.003 (5)	0.005 (5)
C5	0.105 (8)	0.067 (6)	0.048 (6)	0.053 (6)	−0.025 (5)	−0.019 (5)
C6	0.057 (6)	0.057 (5)	0.062 (5)	0.029 (5)	−0.010 (5)	−0.018 (4)
C7	0.050 (5)	0.035 (5)	0.042 (4)	0.014 (4)	0.003 (3)	0.002 (3)
C8	0.073 (6)	0.046 (6)	0.111 (7)	0.033 (5)	0.040 (5)	0.031 (5)
C9	0.119 (10)	0.055 (7)	0.103 (8)	0.038 (7)	0.040 (8)	0.039 (6)
C10	0.138 (9)	0.044 (6)	0.069 (6)	0.046 (7)	−0.023 (6)	0.000 (5)
C11	0.096 (8)	0.079 (8)	0.100 (8)	0.059 (7)	−0.039 (6)	−0.006 (6)
C12	0.046 (6)	0.064 (6)	0.082 (6)	0.027 (4)	−0.004 (5)	0.011 (5)
C13	0.040 (4)	0.039 (5)	0.040 (4)	0.016 (4)	0.010 (3)	0.003 (3)
C14	0.063 (6)	0.071 (7)	0.060 (5)	0.036 (5)	0.014 (5)	0.023 (5)
C15	0.056 (5)	0.096 (8)	0.065 (6)	0.055 (6)	0.005 (4)	0.012 (5)
C16	0.068 (7)	0.185 (13)	0.059 (6)	0.085 (9)	0.018 (5)	0.027 (7)
C17	0.053 (6)	0.153 (10)	0.119 (7)	0.060 (7)	−0.031 (6)	−0.039 (7)
C18	0.059 (6)	0.095 (8)	0.095 (7)	0.045 (6)	−0.012 (5)	−0.021 (6)

Geometric parameters (Å, º) top

Pd—P1ⁱ	2.2861 (18)	C8—C9	1.386 (10)
Pd—P1	2.2861 (18)	C8—H8	0.9300
Pd—S1	2.316 (2)	C9—C10	1.312 (10)
Pd—S1ⁱ	2.316 (2)	C9—H9	0.9300
P1—C2	1.805 (7)	C10—C11	1.358 (11)
P1—C7	1.818 (7)	C10—H10	0.9300
P1—C13	1.818 (7)	C11—C12	1.375 (10)
S1—C1	1.740 (7)	C11—H11	0.9300
C1—C2	1.398 (8)	C12—H12	0.9300
C1—C6	1.405 (8)	C13—C18	1.367 (9)
C2—C3	1.390 (9)	C13—C14	1.379 (9)
C3—C4	1.376 (9)	C14—C15	1.384 (9)
C3—H3	0.9300	C14—H14	0.9300
C4—C5	1.379 (11)	C15—C16	1.386 (11)
C4—H4	0.9300	C15—H15	0.9300
C5—C6	1.374 (9)	C16—C17	1.369 (12)
C5—H5	0.9300	C16—H16	0.9300
C6—H6	0.9300	C17—C18	1.364 (10)
C7—C8	1.368 (9)	C17—H17	0.9300
C7—C12	1.382 (8)	C18—H18	0.9300

P1ⁱ—Pd—P1	101.33 (9)	C7—C8—C9	121.0 (9)
P1ⁱ—Pd—S1	171.41 (7)	C7—C8—H8	119.5
P1—Pd—S1	86.90 (7)	C9—C8—H8	119.5
P1ⁱ—Pd—S1ⁱ	86.90 (7)	C10—C9—C8	122.2 (11)
P1—Pd—S1ⁱ	171.41 (7)	C10—C9—H9	118.9
S1—Pd—S1ⁱ	85.00 (11)	C8—C9—H9	118.9
C2—P1—C7	103.7 (3)	C9—C10—C11	118.7 (11)
C2—P1—C13	105.1 (3)	C9—C10—H10	120.6
C7—P1—C13	106.7 (3)	C11—C10—H10	120.6
C2—P1—Pd	106.9 (2)	C10—C11—C12	120.3 (10)
C7—P1—Pd	118.7 (2)	C10—C11—H11	119.9
C13—P1—Pd	114.4 (2)	C12—C11—H11	119.9
C1—S1—Pd	106.1 (2)	C11—C12—C7	122.0 (9)
C2—C1—C6	117.9 (7)	C11—C12—H12	119.0
C2—C1—S1	122.3 (5)	C7—C12—H12	119.0
C6—C1—S1	119.8 (6)	C18—C13—C14	117.7 (7)
C3—C2—C1	119.7 (6)	C18—C13—P1	122.0 (6)
C3—C2—P1	122.7 (6)	C14—C13—P1	120.2 (6)
C1—C2—P1	117.6 (6)	C13—C14—C15	121.8 (10)
C4—C3—C2	121.3 (8)	C13—C14—H14	119.1
C4—C3—H3	119.3	C15—C14—H14	119.1
C2—C3—H3	119.3	C14—C15—C16	118.3 (10)
C3—C4—C5	119.5 (8)	C14—C15—H15	120.8
C3—C4—H4	120.2	C16—C15—H15	120.8
C5—C4—H4	120.2	C17—C16—C15	120.4 (9)
C6—C5—C4	120.0 (7)	C17—C16—H16	119.8
C6—C5—H5	120.0	C15—C16—H16	119.8
C4—C5—H5	120.0	C18—C17—C16	119.5 (10)
C5—C6—C1	121.5 (7)	C18—C17—H17	120.3
C5—C6—H6	119.2	C16—C17—H17	120.3
C1—C6—H6	119.2	C17—C18—C13	122.2 (8)
C8—C7—C12	115.7 (8)	C17—C18—H18	118.9
C8—C7—P1	125.5 (6)	C13—C18—H18	118.9
C12—C7—P1	118.8 (6)

P1ⁱ—Pd—P1—C2	−177.7 (2)	S1—C1—C6—C5	179.5 (6)
S1—Pd—P1—C2	4.8 (2)	C2—P1—C7—C8	89.7 (7)
S1ⁱ—Pd—P1—C2	−14.7 (6)	C13—P1—C7—C8	−21.0 (8)
P1ⁱ—Pd—P1—C7	65.6 (2)	Pd—P1—C7—C8	−152.0 (6)
S1—Pd—P1—C7	−111.9 (3)	C2—P1—C7—C12	−89.0 (7)
S1ⁱ—Pd—P1—C7	−131.4 (5)	C13—P1—C7—C12	160.3 (6)
P1ⁱ—Pd—P1—C13	−61.9 (2)	Pd—P1—C7—C12	29.3 (7)
S1—Pd—P1—C13	120.6 (3)	C12—C7—C8—C9	1.4 (12)
S1ⁱ—Pd—P1—C13	101.1 (5)	P1—C7—C8—C9	−177.3 (7)
P1ⁱ—Pd—S1—C1	−167.4 (5)	C7—C8—C9—C10	1.8 (16)
P1—Pd—S1—C1	−4.1 (2)	C8—C9—C10—C11	−3.2 (18)
S1ⁱ—Pd—S1—C1	173.0 (2)	C9—C10—C11—C12	1.5 (16)
Pd—S1—C1—C2	2.5 (6)	C10—C11—C12—C7	1.8 (14)
Pd—S1—C1—C6	−177.4 (5)	C8—C7—C12—C11	−3.1 (12)
C6—C1—C2—C3	1.0 (10)	P1—C7—C12—C11	175.7 (6)
S1—C1—C2—C3	−178.9 (5)	C2—P1—C13—C18	−150.7 (6)
C6—C1—C2—P1	−178.5 (5)	C7—P1—C13—C18	−40.9 (7)
S1—C1—C2—P1	1.6 (8)	Pd—P1—C13—C18	92.5 (6)
C7—P1—C2—C3	−58.1 (6)	C2—P1—C13—C14	33.4 (6)
C13—P1—C2—C3	53.8 (6)	C7—P1—C13—C14	143.1 (5)
Pd—P1—C2—C3	175.7 (5)	Pd—P1—C13—C14	−83.5 (6)
C7—P1—C2—C1	121.4 (6)	C18—C13—C14—C15	−3.0 (11)
C13—P1—C2—C1	−126.8 (5)	P1—C13—C14—C15	173.1 (6)
Pd—P1—C2—C1	−4.9 (6)	C13—C14—C15—C16	0.7 (12)
C1—C2—C3—C4	−0.3 (11)	C14—C15—C16—C17	2.4 (14)
P1—C2—C3—C4	179.1 (6)	C15—C16—C17—C18	−3.0 (14)
C2—C3—C4—C5	−0.9 (11)	C16—C17—C18—C13	0.5 (14)
C3—C4—C5—C6	1.5 (12)	C14—C13—C18—C17	2.4 (12)
C4—C5—C6—C1	−0.8 (11)	P1—C13—C18—C17	−173.6 (6)
C2—C1—C6—C5	−0.4 (10)

Symmetry code: (i) y, x, −z.

Experimental details

Crystal data
Chemical formula	[Pd(C₁₈H₁₄PS)₂]
M_r	693.04
Crystal system, space group	Trigonal, P3₂2₁
Temperature (K)	298
a, c (Å)	9.306 (1), 30.069 (8)
V (Å³)	2255.2 (7)
Z	3
Radiation type	Mo Kα
µ (mm⁻¹)	0.89
Crystal size (mm)	0.16 × 0.07 × 0.04

Data collection
Diffractometer	Bruker SMART APEX CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.877, 0.967
No. of measured, independent and observed [I > 2σ(I)] reflections	18737, 2749, 1811
R_int	0.113
(sin θ/λ)_max (Å⁻¹)	0.602

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.046, 0.084, 0.82
No. of reflections	2749
No. of parameters	186
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	1.40, −0.31
Absolute structure	Flack (1983), 1113 Friedel Pairs
Absolute structure parameter	−0.05 (6)

Computer programs: SMART (Bruker, 1999), SAINT (Bruker, 1999), SHELXTL (Sheldrick, 2008).

Selected geometric parameters (Å, º) top

Pd—P1	2.2861 (18)	Pd—S1	2.316 (2)

P1ⁱ—Pd—P1	101.33 (9)	P1—Pd—S1	86.90 (7)
P1ⁱ—Pd—S1	171.41 (7)	S1—Pd—S1ⁱ	85.00 (11)

Symmetry code: (i) y, x, −z.

Acknowledgements

The support of this research by CONACYT (F58692) and DGAPA-UNAM (IN227008) is gratefully acknowledged.

References

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