[1,2-Bis­(phenyl­seleno)­benzene]­dichlorido­palladium(II)

Takeda, N.; Isobe, T.; Sasamori, T.; Tokitoh, N.

doi:10.1107/S1600536807044510

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[1,2-Bis(phenylseleno)benzene]dichloridopalladium(II)

N. Takeda, T. Isobe, T. Sasamori and N. Tokitoh

In the title compound, [PdCl₂{1,2-C₆H₄(SePh)₂}], the two Cl atoms and the two Se atoms are arranged in a square-planar fashion around the Pd atom. The two phenyl groups are on the same side of the PdCl₂Se₂ plane. Intermolecular interactions between the Cl and Se atoms are suggested [Se

Cl = 3.4003 (4) and 3.4101 (4) Å].

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807044510/om2151sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536807044510/om2151Isup2.hkl Contains datablock I

CCDC reference: 663607

checkCIF report

Key indicators

Single-crystal X-ray study
T = 103 K
Mean (C-C) = 0.003 Å
R factor = 0.014
wR factor = 0.037
Data-to-parameter ratio = 11.8

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.04
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...         14
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pd1    -   Se1     ..       6.61 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pd1    -   Se2     ..       9.16 su

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Comment top

There are no reports on the synthesis of the title compound, [PdCl₂{1,2-C₆H₄(SePh)₂}] (1), although the synthesis and full characterization of the sulfur analog, [PdCl₂{1,2-C₆H₄(SPh)₂}] (2), has already been reported (Hartley et al., 1979; Takeda et al., 2005). This paper presents the first synthesis and X-ray structural analysis of (1).

Compound (1) was prepared by a method similar to that for the sulfur analog (2) (Takeda et al., 2005), i.e., the reaction of the ligand, 1,2-bis(phenylseleno)benzene with NaPdCl₄. The X-ray structural analysis of (1) shows features similar to those of (2) (Takeda et al., 2005), e.g., a square planar arrangement of the two chlorine and two chalcogen atoms around the palladium center, and a conformation where the two terminal phenyl groups of the diselenoether ligand are on the same side of the PdCl₂Ch₂ plane (Fig. 1). The Pd—Cl bond lengths (Pd1—Cl1 2.3471 (4) and Pd1—Cl2 2.3282 (4) Å) are slightly longer than those of (2) (Pd1—Cl1 2.3159 (6) and Pd1—Cl2 2.3116 (5) Å), although these values are within the range of the reported values for tetracoordinate palladium(II) complexes (2.298–2.354 Å) (Orpen et al., 1989). This result suggests that the coordination of the Se atoms to the Pd center in (1) is slightly stronger than that of the S atoms in (2). The Pd—Se bond lengths (Pd1—Se1 2.38098 (19) and Pd1—Se2 2.3790 (2) Å) are similar to those of the reported cis-dichloropalladium(II) complexes with selenoether (2.36–2.40 Å) (Booth et al., 1997; Champness et al., 1995; Whitfield, 1970).

Intermolecular Se—Cl distances (Se1—Cl2 3.4003 (4) and Se2—Cl1 3.4101 (4) Å) are slightly shorter than the sum of the van der Waals radii of chlorine and selinium (3.65 Å) (Bondi, 1964) (Fig. 2). This result suggests there is an intermolecular interaction between the chlorine and selenium atoms as well as between the chlorine and sulfur observed in (2). In addition, there are intermolecular C9—H7—Cl1 (2.94 (2) Å) and C10—H8—Cl2 (3.11 (2) Å) distances, although it is thought that these are weaker than the corresponding interactions in (2).

Related literature top

For related literature, see: Bondi (1964); Booth et al. (1997); Champness et al. (1995); Gujadhur & Venkataraman (2003); Gulliver et al. (1984); Hartley et al. (1979); Nakanishi & Hayashi (2000); Orpen et al. (1989); Petragnari & Toscano (1970); Takeda et al. (2005); Whitfield (1970).

Experimental top

Sodium tetrachloropalladate (93.8 mg, 0.319 mmol) was added to a solution of 1,2-bis(phenylseleno)benzene, 1,2-C₆H₄(SePh)₂, (100 mg, 0.258 mmol) (Gujadhur & Venkataraman, 2003; Nakanishi & Hayashi, 2000; Gulliver et al., 1984; Petragnari & Toscano, 1970) in chloroform (3 ml)/ethanol (20 ml) at room temperature. After stirring for 3 h, the mixture was filtered. The precipitates were washed with ethanol (5 ml × 3) and then extracted with dichloromethane(300 ml) and chloroform (300 ml). After filtration of the mixture, evaporation of the filtrate gave the title compound, [PdCl₂{1,2-C₆H₄(SePh)₂}] (1) (138.7 mg, 0.245 mmol, 95%). Further purification by recrystallization from chloroform/ethanol provided analytically pure (1) (m.p. 270 °C, decomposition. Analysis found: C 38.08, H 2.65%; C₁₈H₁₄Cl₂PdSe₂ requires: C 38.23, H 2.50%). Suitable crystals for X-ray crystallography were obtained by slow evaporation of a dichloromethane/chloroform solution.

Structure description top

Computing details top

Data collection: CrystalClear (Rigaku, 2005); cell refinement: CrystalClear (Rigaku, 2005); data reduction: CrystalClear (Rigaku, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures top

	Fig. 1. View of the molecule of the title compound showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are represented by circles of arbitrary size.
	Fig. 2. The molecular packing as viewed down the a axis..

[1,2-Bis(phenylseleno)benzene]dichloridopalladium(II) top

Crystal data top

[PdCl₂(C₁₈H₁₄Se₂)]	Z = 2
M_r = 565.51	F(000) = 540
Triclinic, P1	D_x = 2.175 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71069 Å
a = 8.7008 (3) Å	Cell parameters from 2442 reflections
b = 10.4873 (2) Å	θ = 3.1–25.5°
c = 10.9779 (3) Å	µ = 5.59 mm⁻¹
α = 64.1072 (13)°	T = 103 K
β = 78.4779 (12)°	Prism, orange
γ = 74.2744 (17)°	0.08 × 0.08 × 0.02 mm
V = 863.58 (4) Å³

Data collection top

Rigaku VariMax Saturn diffractometer	3122 independent reflections
Radiation source: rotating-anode X-ray tube	3057 reflections with I > 2σ(I)
Confocal monochromator	R_int = 0.015
Detector resolution: 28.5714 pixels mm^-1	θ_max = 25.5°, θ_min = 3.1°
ω scans	h = −10→10
Absorption correction: multi-scan (REQAB; Jacobson; 1998)	k = −12→12
T_min = 0.663, T_max = 0.896	l = −13→13
7378 measured reflections

Refinement top

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)] = 0.014	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.037	All H-atom parameters refined
S = 1.05	w = 1/[σ²(F_o²) + (0.0102P)² + 0.541P] where P = (F_o² + 2F_c²)/3
3122 reflections	(Δ/σ)_max = 0.002
264 parameters	Δρ_max = 0.63 e Å⁻³
0 restraints	Δρ_min = −0.31 e Å⁻³

Crystal data top

[PdCl₂(C₁₈H₁₄Se₂)]	γ = 74.2744 (17)°
M_r = 565.51	V = 863.58 (4) Å³
Triclinic, P1	Z = 2
a = 8.7008 (3) Å	Mo Kα radiation
b = 10.4873 (2) Å	µ = 5.59 mm⁻¹
c = 10.9779 (3) Å	T = 103 K
α = 64.1072 (13)°	0.08 × 0.08 × 0.02 mm
β = 78.4779 (12)°

Data collection top

Rigaku VariMax Saturn diffractometer	3122 independent reflections
Absorption correction: multi-scan (REQAB; Jacobson; 1998)	3057 reflections with I > 2σ(I)
T_min = 0.663, T_max = 0.896	R_int = 0.015
7378 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.014	0 restraints
wR(F²) = 0.037	All H-atom parameters refined
S = 1.05	Δρ_max = 0.63 e Å⁻³
3122 reflections	Δρ_min = −0.31 e Å⁻³
264 parameters

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
Pd1	0.646899 (14)	0.363137 (13)	0.003739 (12)	0.01048 (5)
Cl1	0.78072 (5)	0.46915 (5)	−0.21221 (4)	0.01566 (9)
Cl2	0.47187 (5)	0.28911 (5)	−0.07496 (4)	0.01613 (9)
Se1	0.832610 (19)	0.422118 (17)	0.093337 (16)	0.01072 (5)
Se2	0.527966 (19)	0.244530 (17)	0.227340 (16)	0.01141 (5)
C1	0.99842 (19)	0.24472 (18)	0.13286 (17)	0.0128 (3)
C2	1.0948 (2)	0.20103 (19)	0.23691 (18)	0.0153 (3)
H1	1.088 (2)	0.254 (2)	0.287 (2)	0.011 (5)*
C3	1.2088 (2)	0.0720 (2)	0.26636 (18)	0.0169 (4)
H2	1.275 (3)	0.042 (2)	0.335 (2)	0.021 (5)*
C4	1.2279 (2)	−0.0099 (2)	0.19135 (18)	0.0167 (4)
H3	1.302 (2)	−0.097 (2)	0.211 (2)	0.017 (5)*
C5	1.1351 (2)	0.03816 (19)	0.08486 (18)	0.0169 (4)
H4	1.152 (3)	−0.019 (2)	0.033 (2)	0.022 (5)*
C6	1.0194 (2)	0.16632 (19)	0.05435 (17)	0.0155 (3)
H5	0.961 (2)	0.197 (2)	−0.016 (2)	0.017 (5)*
C7	0.7402 (2)	0.38254 (18)	0.27874 (16)	0.0125 (3)
C8	0.8009 (2)	0.42967 (19)	0.35619 (18)	0.0151 (3)
H6	0.888 (3)	0.480 (2)	0.319 (2)	0.020 (5)*
C9	0.7332 (2)	0.40479 (19)	0.48820 (18)	0.0172 (4)
H7	0.774 (3)	0.434 (2)	0.538 (2)	0.023 (6)*
C10	0.6045 (2)	0.33526 (19)	0.54185 (18)	0.0170 (4)
H8	0.557 (2)	0.326 (2)	0.624 (2)	0.017 (5)*
C11	0.5435 (2)	0.28864 (19)	0.46451 (18)	0.0161 (4)
H9	0.453 (3)	0.240 (2)	0.502 (2)	0.024 (6)*
C12	0.6132 (2)	0.31227 (18)	0.33235 (17)	0.0129 (3)
C13	0.6685 (2)	0.05285 (18)	0.27761 (17)	0.0131 (3)
C14	0.7849 (2)	0.00403 (19)	0.36772 (17)	0.0146 (3)
H10	0.799 (2)	0.064 (2)	0.4087 (19)	0.010 (4)*
C15	0.8820 (2)	−0.1332 (2)	0.39744 (18)	0.0171 (4)
H11	0.960 (3)	−0.165 (2)	0.458 (2)	0.018 (5)*
C16	0.8626 (2)	−0.2206 (2)	0.33869 (18)	0.0168 (4)
H12	0.928 (2)	−0.315 (2)	0.358 (2)	0.020 (5)*
C17	0.7451 (2)	−0.17168 (19)	0.25014 (18)	0.0154 (3)
H13	0.732 (2)	−0.224 (2)	0.207 (2)	0.015 (5)*
C18	0.6474 (2)	−0.03441 (19)	0.21878 (17)	0.0143 (3)
H14	0.574 (2)	−0.002 (2)	0.157 (2)	0.018 (5)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Pd1	0.01126 (8)	0.01039 (8)	0.00946 (8)	−0.00007 (5)	−0.00263 (5)	−0.00429 (6)
Cl1	0.0179 (2)	0.0164 (2)	0.01045 (19)	−0.00168 (16)	−0.00059 (15)	−0.00487 (16)
Cl2	0.0167 (2)	0.0168 (2)	0.0175 (2)	−0.00128 (17)	−0.00698 (16)	−0.00834 (17)
Se1	0.01120 (9)	0.01027 (9)	0.01034 (9)	−0.00178 (7)	−0.00084 (6)	−0.00420 (7)
Se2	0.01043 (9)	0.01092 (9)	0.01232 (9)	−0.00123 (7)	−0.00143 (6)	−0.00464 (7)
C1	0.0103 (8)	0.0113 (8)	0.0143 (8)	−0.0022 (6)	0.0020 (6)	−0.0041 (7)
C2	0.0151 (8)	0.0174 (9)	0.0158 (8)	−0.0049 (7)	−0.0004 (7)	−0.0085 (7)
C3	0.0132 (8)	0.0180 (9)	0.0168 (9)	−0.0025 (7)	−0.0040 (7)	−0.0041 (7)
C4	0.0117 (8)	0.0136 (9)	0.0204 (9)	0.0000 (7)	0.0003 (7)	−0.0052 (7)
C5	0.0180 (9)	0.0150 (9)	0.0175 (9)	−0.0024 (7)	0.0009 (7)	−0.0080 (7)
C6	0.0153 (8)	0.0172 (9)	0.0124 (8)	−0.0026 (7)	−0.0020 (7)	−0.0049 (7)
C7	0.0135 (8)	0.0112 (8)	0.0099 (8)	0.0031 (6)	−0.0021 (6)	−0.0045 (7)
C8	0.0140 (8)	0.0119 (8)	0.0190 (9)	0.0024 (7)	−0.0049 (7)	−0.0076 (7)
C9	0.0187 (9)	0.0159 (9)	0.0180 (9)	0.0059 (7)	−0.0080 (7)	−0.0106 (8)
C10	0.0205 (9)	0.0138 (9)	0.0108 (8)	0.0069 (7)	−0.0020 (7)	−0.0055 (7)
C11	0.0159 (9)	0.0120 (9)	0.0159 (8)	0.0016 (7)	−0.0006 (7)	−0.0045 (7)
C12	0.0162 (8)	0.0097 (8)	0.0124 (8)	0.0021 (7)	−0.0042 (7)	−0.0057 (7)
C13	0.0122 (8)	0.0117 (8)	0.0128 (8)	−0.0026 (7)	0.0019 (6)	−0.0039 (7)
C14	0.0161 (8)	0.0136 (9)	0.0143 (8)	−0.0035 (7)	−0.0002 (7)	−0.0060 (7)
C15	0.0166 (9)	0.0172 (9)	0.0157 (8)	−0.0027 (7)	−0.0047 (7)	−0.0040 (7)
C16	0.0163 (9)	0.0114 (9)	0.0188 (9)	−0.0006 (7)	0.0002 (7)	−0.0048 (7)
C17	0.0169 (8)	0.0144 (9)	0.0168 (8)	−0.0052 (7)	0.0021 (7)	−0.0085 (7)
C18	0.0129 (8)	0.0173 (9)	0.0127 (8)	−0.0049 (7)	−0.0004 (7)	−0.0055 (7)

Geometric parameters (Å, º) top

Pd1—Cl2	2.3282 (4)	C7—C8	1.391 (2)
Pd1—Cl1	2.3471 (4)	C8—C9	1.388 (3)
Pd1—Se2	2.3790 (2)	C8—H6	0.96 (2)
Pd1—Se1	2.3810 (2)	C9—C10	1.392 (3)
Se1—C7	1.9367 (16)	C9—H7	0.89 (2)
Se1—C1	1.9547 (17)	C10—C11	1.388 (3)
Se2—C12	1.9301 (16)	C10—H8	0.89 (2)
Se2—C13	1.9515 (17)	C11—C12	1.396 (2)
C1—C6	1.388 (2)	C11—H9	0.97 (2)
C1—C2	1.391 (2)	C13—C14	1.394 (2)
C2—C3	1.392 (3)	C13—C18	1.394 (2)
C2—H1	0.92 (2)	C14—C15	1.391 (3)
C3—C4	1.389 (3)	C14—H10	0.96 (2)
C3—H2	0.93 (2)	C15—C16	1.389 (3)
C4—C5	1.384 (3)	C15—H11	0.94 (2)
C4—H3	0.92 (2)	C16—C17	1.389 (3)
C5—C6	1.393 (2)	C16—H12	0.95 (2)
C5—H4	0.96 (2)	C17—C18	1.391 (3)
C6—H5	0.90 (2)	C17—H13	0.91 (2)
C7—C12	1.383 (2)	C18—H14	0.91 (2)

Cl2—Pd1—Cl1	94.066 (15)	C9—C8—C7	119.29 (17)
Cl2—Pd1—Se2	87.714 (12)	C9—C8—H6	120.0 (13)
Cl1—Pd1—Se2	176.116 (12)	C7—C8—H6	120.7 (13)
Cl2—Pd1—Se1	176.146 (12)	C8—C9—C10	120.37 (16)
Cl1—Pd1—Se1	87.742 (11)	C8—C9—H7	118.7 (14)
Se2—Pd1—Se1	90.279 (7)	C10—C9—H7	121.0 (14)
C7—Se1—C1	97.24 (7)	C11—C10—C9	120.38 (17)
C7—Se1—Pd1	102.52 (5)	C11—C10—H8	119.7 (13)
C1—Se1—Pd1	99.60 (5)	C9—C10—H8	119.8 (13)
C12—Se2—C13	98.11 (7)	C10—C11—C12	119.08 (17)
C12—Se2—Pd1	102.46 (5)	C10—C11—H9	120.4 (13)
C13—Se2—Pd1	99.58 (5)	C12—C11—H9	120.5 (13)
C6—C1—C2	121.35 (16)	C7—C12—C11	120.48 (15)
C6—C1—Se1	119.04 (13)	C7—C12—Se2	121.14 (12)
C2—C1—Se1	119.59 (13)	C11—C12—Se2	118.38 (13)
C1—C2—C3	118.74 (16)	C14—C13—C18	120.97 (16)
C1—C2—H1	123.1 (12)	C14—C13—Se2	122.29 (13)
C3—C2—H1	118.2 (12)	C18—C13—Se2	116.74 (12)
C4—C3—C2	120.52 (16)	C15—C14—C13	119.05 (16)
C4—C3—H2	119.8 (13)	C15—C14—H10	120.2 (11)
C2—C3—H2	119.6 (13)	C13—C14—H10	120.8 (11)
C5—C4—C3	119.89 (17)	C16—C15—C14	120.42 (16)
C5—C4—H3	119.0 (12)	C16—C15—H11	121.0 (13)
C3—C4—H3	121.1 (12)	C14—C15—H11	118.5 (12)
C4—C5—C6	120.53 (16)	C15—C16—C17	120.13 (17)
C4—C5—H4	118.4 (13)	C15—C16—H12	121.4 (12)
C6—C5—H4	121.1 (13)	C17—C16—H12	118.5 (12)
C1—C6—C5	118.88 (16)	C16—C17—C18	120.24 (16)
C1—C6—H5	121.8 (13)	C16—C17—H13	122.3 (13)
C5—C6—H5	119.3 (13)	C18—C17—H13	117.4 (13)
C12—C7—C8	120.39 (15)	C17—C18—C13	119.20 (16)
C12—C7—Se1	120.80 (12)	C17—C18—H14	119.2 (13)
C8—C7—Se1	118.78 (13)	C13—C18—H14	121.5 (13)

Cl1—Pd1—Se1—C7	169.73 (5)	C7—C8—C9—C10	−0.9 (3)
Se2—Pd1—Se1—C7	−13.61 (5)	C8—C9—C10—C11	0.7 (3)
Cl1—Pd1—Se1—C1	−90.57 (5)	C9—C10—C11—C12	0.1 (3)
Se2—Pd1—Se1—C1	86.08 (5)	C8—C7—C12—C11	0.5 (2)
Cl2—Pd1—Se2—C12	−168.85 (5)	Se1—C7—C12—C11	−177.73 (13)
Se1—Pd1—Se2—C12	14.44 (5)	C8—C7—C12—Se2	−179.51 (12)
Cl2—Pd1—Se2—C13	90.55 (5)	Se1—C7—C12—Se2	2.30 (19)
Se1—Pd1—Se2—C13	−86.16 (5)	C10—C11—C12—C7	−0.7 (2)
C7—Se1—C1—C6	133.28 (14)	C10—C11—C12—Se2	179.29 (13)
Pd1—Se1—C1—C6	29.21 (14)	C13—Se2—C12—C7	88.59 (14)
C7—Se1—C1—C2	−47.93 (14)	Pd1—Se2—C12—C7	−13.16 (14)
Pd1—Se1—C1—C2	−152.00 (13)	C13—Se2—C12—C11	−91.38 (14)
C6—C1—C2—C3	−3.3 (3)	Pd1—Se2—C12—C11	166.87 (12)
Se1—C1—C2—C3	177.98 (13)	C12—Se2—C13—C14	1.13 (15)
C1—C2—C3—C4	1.3 (3)	Pd1—Se2—C13—C14	105.32 (14)
C2—C3—C4—C5	1.2 (3)	C12—Se2—C13—C18	−178.82 (13)
C3—C4—C5—C6	−1.7 (3)	Pd1—Se2—C13—C18	−74.64 (13)
C2—C1—C6—C5	2.7 (3)	C18—C13—C14—C15	0.7 (2)
Se1—C1—C6—C5	−178.49 (13)	Se2—C13—C14—C15	−179.21 (13)
C4—C5—C6—C1	−0.2 (3)	C13—C14—C15—C16	−0.3 (3)
C1—Se1—C7—C12	−91.70 (14)	C14—C15—C16—C17	−0.4 (3)
Pd1—Se1—C7—C12	9.85 (14)	C15—C16—C17—C18	0.6 (3)
C1—Se1—C7—C8	90.07 (14)	C16—C17—C18—C13	−0.2 (3)
Pd1—Se1—C7—C8	−168.37 (12)	C14—C13—C18—C17	−0.5 (2)
C12—C7—C8—C9	0.3 (2)	Se2—C13—C18—C17	179.49 (12)
Se1—C7—C8—C9	178.56 (12)

Experimental details

Crystal data
Chemical formula	[PdCl₂(C₁₈H₁₄Se₂)]
M_r	565.51
Crystal system, space group	Triclinic, P1
Temperature (K)	103
a, b, c (Å)	8.7008 (3), 10.4873 (2), 10.9779 (3)
α, β, γ (°)	64.1072 (13), 78.4779 (12), 74.2744 (17)
V (Å³)	863.58 (4)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	5.59
Crystal size (mm)	0.08 × 0.08 × 0.02

Data collection
Diffractometer	Rigaku VariMax Saturn
Absorption correction	Multi-scan (REQAB; Jacobson; 1998)
T_min, T_max	0.663, 0.896
No. of measured, independent and observed [I > 2σ(I)] reflections	7378, 3122, 3057
R_int	0.015
(sin θ/λ)_max (Å⁻¹)	0.606

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.014, 0.037, 1.05
No. of reflections	3122
No. of parameters	264
H-atom treatment	All H-atom parameters refined
Δρ_max, Δρ_min (e Å⁻³)	0.63, −0.31

Computer programs: CrystalClear (Rigaku, 2005), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEPIII (Burnett & Johnson, 1996).

Selected geometric parameters (Å, º) top

Pd1—Cl2	2.3282 (4)	Se1—C7	1.9367 (16)
Pd1—Cl1	2.3471 (4)	Se1—C1	1.9547 (17)
Pd1—Se2	2.3790 (2)	Se2—C12	1.9301 (16)
Pd1—Se1	2.3810 (2)	Se2—C13	1.9515 (17)

Cl2—Pd1—Cl1	94.066 (15)	C7—Se1—C1	97.24 (7)
Cl2—Pd1—Se2	87.714 (12)	C7—Se1—Pd1	102.52 (5)
Cl1—Pd1—Se2	176.116 (12)	C1—Se1—Pd1	99.60 (5)
Cl2—Pd1—Se1	176.146 (12)	C12—Se2—C13	98.11 (7)
Cl1—Pd1—Se1	87.742 (11)	C12—Se2—Pd1	102.46 (5)
Se2—Pd1—Se1	90.279 (7)	C13—Se2—Pd1	99.58 (5)

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