trans-Dichloridobis(quinoline-κN)palladium(II).

In the title complex, [PdCl(2)(C(9)H(7)N)(2)], the Pd(II) ion is four-coordinated in an essentially square-planar environment defined by two N atoms from two quinoline ligands and two Cl(-) anions. The Pd atom is located on an inversion centre, and thus the asymmetric unit contains one half of the complex; the PdN(2)Cl(2) unit is exactly planar. The dihedral angle between the PdN(2)Cl(2) unit and quinoline ligand is 85.63 (8)°. In the crystal, the complex mol-ecules are stacked into columns along the b axis. In the columns, several inter-molecular π-π inter-actions between the six-membered rings are present, the shortest ring centroid-centroid distance being 3.764 (3) Å between pyridine rings.

Related literature

For the crystal structure of the related PtII complex cis-[PtCl2(quinoline)2]·0.25DMF, see: Davies et al. (2001 ▶).

Experimental

Crystal data

[PdCl2(C9H7N)2]

M = 435.61

Monoclinic,

a = 16.430 (3) Å

b = 7.0050 (11) Å

c = 16.118 (2) Å

β = 119.532 (3)°

V = 1614.0 (4) Å3

Z = 4

Mo Kα radiation

μ = 1.48 mm−1

T = 200 K

0.31 × 0.13 × 0.11 mm

Data collection

Bruker SMART 1000 CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.869, T max = 1.000

4776 measured reflections

1577 independent reflections

1125 reflections with I > 2σ(I)

R int = 0.041

Refinement

R[F 2 > 2σ(F 2)] = 0.040

wR(F 2) = 0.095

S = 1.05

1577 reflections

106 parameters

H-atom parameters constrained

Δρmax = 1.30 e Å−3

Δρmin = −0.40 e Å−3

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶) and PLATON (Spek, 2009 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablock(s) global. DOI: 10.1107/S1600536811055954/tk5039sup1.cif

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[PdCl2(C9H7N)2]	F(000) = 864
Mr = 435.61	Dx = 1.793 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 1841 reflections
a = 16.430 (3) Å	θ = 2.9–25.6°
b = 7.0050 (11) Å	µ = 1.48 mm−1
c = 16.118 (2) Å	T = 200 K
β = 119.532 (3)°	Block, yellow
V = 1614.0 (4) Å3	0.31 × 0.13 × 0.11 mm
Z = 4

Bruker SMART 1000 CCD diffractometer	1577 independent reflections
Radiation source: fine-focus sealed tube	1125 reflections with I > 2σ(I)
graphite	Rint = 0.041
φ and ω scans	θmax = 26.0°, θmin = 2.9°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −19→20
Tmin = 0.869, Tmax = 1.000	k = −8→8
4776 measured reflections	l = −18→19

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)] = 0.040	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.095	H-atom parameters constrained
S = 1.05	w = 1/[σ2(Fo2) + (0.0442P)2] where P = (Fo2 + 2Fc2)/3
1577 reflections	(Δ/σ)max < 0.001
106 parameters	Δρmax = 1.30 e Å−3
0 restraints	Δρmin = −0.40 e Å−3

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
Pd1	0.0000	0.5000	0.0000	0.0367 (2)
Cl1	−0.01202 (8)	0.3930 (2)	0.12827 (8)	0.0488 (3)
N1	0.1092 (2)	0.3186 (6)	0.0364 (3)	0.0381 (9)
C1	0.0916 (3)	0.1476 (7)	−0.0041 (3)	0.0451 (12)
H1	0.0288	0.1172	−0.0498	0.054*
C2	0.1606 (4)	0.0098 (7)	0.0169 (4)	0.0480 (13)
H2	0.1449	−0.1106	−0.0142	0.058*
C3	0.2514 (4)	0.0518 (7)	0.0833 (4)	0.0490 (14)
H3	0.2996	−0.0392	0.0988	0.059*
C4	0.2721 (3)	0.2324 (7)	0.1284 (3)	0.0356 (10)
C5	0.3633 (3)	0.2877 (8)	0.1971 (3)	0.0505 (13)
H5	0.4134	0.1997	0.2162	0.061*
C6	0.3806 (4)	0.4638 (8)	0.2362 (4)	0.0519 (14)
H6	0.4426	0.4991	0.2819	0.062*
C7	0.3078 (4)	0.5939 (9)	0.2100 (3)	0.0496 (13)
H7	0.3211	0.7172	0.2383	0.060*
C8	0.2180 (3)	0.5483 (7)	0.1448 (3)	0.0421 (12)
H8	0.1692	0.6384	0.1283	0.051*
C9	0.1979 (3)	0.3651 (7)	0.1018 (3)	0.0373 (11)

	U11	U22	U33	U12	U13	U23
Pd1	0.0248 (3)	0.0445 (3)	0.0377 (3)	0.0052 (2)	0.0129 (2)	0.0054 (2)
Cl1	0.0436 (7)	0.0605 (9)	0.0453 (7)	0.0101 (7)	0.0243 (6)	0.0128 (6)
N1	0.030 (2)	0.041 (2)	0.042 (2)	0.0018 (18)	0.0168 (18)	0.0036 (19)
C1	0.040 (3)	0.046 (3)	0.050 (3)	−0.008 (2)	0.023 (2)	−0.002 (2)
C2	0.065 (4)	0.033 (3)	0.054 (3)	−0.003 (3)	0.035 (3)	0.000 (2)
C3	0.048 (3)	0.047 (3)	0.061 (3)	0.014 (2)	0.033 (3)	0.016 (3)
C4	0.032 (2)	0.039 (3)	0.040 (3)	0.007 (2)	0.020 (2)	0.008 (2)
C5	0.037 (3)	0.062 (4)	0.050 (3)	0.010 (3)	0.019 (2)	0.011 (3)
C6	0.032 (3)	0.071 (4)	0.044 (3)	−0.001 (3)	0.012 (2)	−0.001 (3)
C7	0.046 (3)	0.060 (3)	0.041 (3)	−0.005 (3)	0.021 (2)	−0.008 (3)
C8	0.035 (3)	0.042 (3)	0.046 (3)	0.001 (2)	0.018 (2)	−0.002 (2)
C9	0.033 (3)	0.043 (3)	0.037 (3)	0.005 (2)	0.018 (2)	0.009 (2)

Pd1—N1	2.035 (4)	C3—H3	0.9500
Pd1—N1i	2.035 (4)	C4—C5	1.409 (6)
Pd1—Cl1	2.2973 (12)	C4—C9	1.421 (6)
Pd1—Cl1i	2.2973 (12)	C5—C6	1.350 (7)
N1—C1	1.326 (6)	C5—H5	0.9500
N1—C9	1.351 (5)	C6—C7	1.393 (8)
C1—C2	1.397 (7)	C6—H6	0.9500
C1—H1	0.9500	C7—C8	1.362 (7)
C2—C3	1.373 (7)	C7—H7	0.9500
C2—H2	0.9500	C8—C9	1.418 (7)
C3—C4	1.414 (6)	C8—H8	0.9500
N1—Pd1—N1i	180.0 (2)	C5—C4—C3	122.9 (4)
N1—Pd1—Cl1	89.53 (10)	C5—C4—C9	118.6 (5)
N1i—Pd1—Cl1	90.47 (10)	C3—C4—C9	118.4 (4)
N1—Pd1—Cl1i	90.47 (10)	C6—C5—C4	121.0 (5)
N1i—Pd1—Cl1i	89.53 (10)	C6—C5—H5	119.5
Cl1—Pd1—Cl1i	180.00 (9)	C4—C5—H5	119.5
C1—N1—C9	119.4 (4)	C5—C6—C7	120.3 (5)
C1—N1—Pd1	118.3 (3)	C5—C6—H6	119.8
C9—N1—Pd1	122.2 (3)	C7—C6—H6	119.8
N1—C1—C2	123.4 (5)	C8—C7—C6	121.4 (5)
N1—C1—H1	118.3	C8—C7—H7	119.3
C2—C1—H1	118.3	C6—C7—H7	119.3
C3—C2—C1	118.7 (5)	C7—C8—C9	119.5 (5)
C3—C2—H2	120.6	C7—C8—H8	120.3
C1—C2—H2	120.6	C9—C8—H8	120.3
C2—C3—C4	119.1 (5)	N1—C9—C8	120.1 (4)
C2—C3—H3	120.4	N1—C9—C4	120.9 (4)
C4—C3—H3	120.4	C8—C9—C4	119.1 (4)
Cl1—Pd1—N1—C1	93.7 (3)	C5—C6—C7—C8	−0.1 (8)
Cl1i—Pd1—N1—C1	−86.3 (3)	C6—C7—C8—C9	−0.6 (8)
Cl1—Pd1—N1—C9	−84.5 (3)	C1—N1—C9—C8	179.2 (4)
Cl1i—Pd1—N1—C9	95.5 (3)	Pd1—N1—C9—C8	−2.6 (6)
C9—N1—C1—C2	−0.2 (7)	C1—N1—C9—C4	−0.7 (6)
Pd1—N1—C1—C2	−178.5 (3)	Pd1—N1—C9—C4	177.5 (3)
N1—C1—C2—C3	0.5 (7)	C7—C8—C9—N1	−179.4 (4)
C1—C2—C3—C4	0.2 (7)	C7—C8—C9—C4	0.5 (7)
C2—C3—C4—C5	−179.8 (5)	C5—C4—C9—N1	−179.9 (4)
C2—C3—C4—C9	−1.1 (7)	C3—C4—C9—N1	1.4 (6)
C3—C4—C5—C6	177.8 (5)	C5—C4—C9—C8	0.2 (6)
C9—C4—C5—C6	−0.9 (7)	C3—C4—C9—C8	−178.6 (4)
C4—C5—C6—C7	0.8 (8)

Pd1—N1	2.035 (4)
Pd1—Cl1	2.2973 (12)

N1—Pd1—Cl1

89.53 (10)