Issue contents
Download PDF of article
Download CIF
3D view
Navigation
Highlighting
Dictionary of Crystallography reference
IUPAC Gold Book reference
more ...
Download citation
FormatBIBTeX
EndNote
RefMan
Refer
Medline
CIF
SGML
Plain Text
share
Previous article
Next article
Previous article
Issue contents
Download PDF of article
Download CIF
3D view
Navigation
Highlighting
Dictionary of Crystallography reference
IUPAC Gold Book reference
more ...
Download citation
FormatBIBTeX
EndNote
RefMan
Refer
Medline
CIF
SGML
Plain Text
share
Next article

metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 67| Part 12| December 2011| Page m1895
https://doi.org/10.1107/S160053681105063X

trans-Di­chloridobis(4-phenyl­pyridine-κN)palladium(II)

Kwang Haa*

aSchool of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea
*Correspondence e-mail: hakwang@chonnam.ac.kr

(Received 23 November 2011; accepted 25 November 2011; online 30 November 2011)

The asymmetric unit of the title complex, [PdCl2(C11H9N)2], contains one half of a neutral PdII complex, with the complete mol­ecule generated by the application of a twofold rotation axis; the N—Pd—N atoms lie on the axis. The PdII ion has a trans-Cl2N2 square-planar coordination geometry defined by two N atoms from two 4-phenyl­pyridine ligands and two Cl− anions. In the refinement, the pyridine ring and the phenyl ring were found to be disordered over two sites with the site-occupancy factors being 0.53 (2) and 0.51 (1), respectively, for the major components.

Related literature

For the crystal structure of the related PtII complex [PtCl2(C11H9N)2]·H2O, see: Ha (2011[Ha, K. (2011). Z. Kristallogr. New Cryst. Struct. 226, 577-578.]).

[Scheme 1]

Experimental

Crystal data

  • [PdCl2(C11H9N)2]

  • Mr = 487.68

  • Monoclinic, C 2/c

  • a = 9.4270 (15) Å

  • b = 23.680 (4) Å

  • c = 8.8554 (14) Å

  • β = 101.572 (3)°

  • V = 1936.6 (5) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 1.24 mm−1

  • T = 200 K

  • 0.21 × 0.08 × 0.06 mm
Data collection

  • Bruker SMART 1000 CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.875, Tmax = 1.000

  • 6848 measured reflections

  • 2358 independent reflections

  • 1866 reflections with I > 2σ(I)

  • Rint = 0.028
Refinement

  • R[F2 > 2σ(F2)] = 0.029

  • wR(F2) = 0.077

  • S = 1.05

  • 2358 reflections

  • 165 parameters

  • H-atom parameters constrained

  • Δρmax = 1.25 e Å−3

  • Δρmin = −0.51 e Å−3

Table 1
Selected bond lengths (Å)

Pd1—N2 2.009 (3)
Pd1—N1 2.022 (3)
Pd1—Cl1 2.3018 (8)

Data collection: SMART (Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]) and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks global, I. DOI: https://doi.org/10.1107/S160053681105063X/tk5025sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S160053681105063X/tk5025Isup2.hkl

checkCIF report


Comment top

The asymmetric unit of the title complex, [PdCl2(C11H9N)2], contains one half of a neutral PdII complex (Fig. 1). The complex is disposed about a twofold rotation axis running in the [010] direction passing through the Pd1, N1, C3, C4, C7, N2, C10, C11 and C14 atoms. The structure is similar to that of related PtII complex with a crystallization water, [PtCl2(C11H9N)2].H2O (Ha, 2011).

In the complex, the central PdII ion has a trans-Cl2N2 square-planar coordination geometry defined by two N atoms from two distinct 4-phenylpyridine ligands and two Cl- anions. The two Pd—N bond lengths are nearly equal and the N—Pd—Cl bonds are almost perpendicular (Table 1). In the refinement, one pyridine ring (N1—C3) and one benzene ring (C11—C14) were found to be disordered over two sites. The dihedral angles between the major and minor rings are 33.2 (12)° for the ring N1—C3 and 42.2 (6)° for the ring C11—C14. The molecules stack in columns along the a axis and display numerous intermolecular π-π interactions between the six-membered rings, with a shortest ring centroid-centroid distance of 4.511 (6) Å (Fig. 2).

Related literature top

For the crystal structure of the related PtII complex [PtCl2(C11H9N)2].H2O, see: Ha (2011).

Experimental top

To a solution of Na2PdCl4 (0.2942 g, 1.000 mmol) in H2O (20 ml) and EtOH (10 ml) was added 4-phenylpyridine (0.3111 g, 2.005 mmol), followed by stirring for 3 h at room temperature. The formed precipitate was separated by filtration, washed with H2O and EtOH, and dried at 50 °C, to give a pale-yellow powder (0.4650 g). Crystals suitable for X-ray analysis were obtained by slow evaporation from its CH3CN solution.

Refinement top

H atoms were positioned geometrically and allowed to ride on their respective parent atoms [C—H = 0.95 Å and Uiso(H) = 1.2Ueq(C)]. One pyridyl ring (N1—C3) and one phenyl ring (C11—C14) displayed relatively large displacement factors so that the rings appear to be partially disordered. The C1, C2, C12 and C13 atoms were refined anisotropically as disordered over two sites, with the site-occupancy factors of 0.53 (2) and 0.51 (1) for the major components, respectively. The highest peak (1.25 e Å-3) and the deepest hole (-0.51 e Å-3) in the difference Fourier map are located 1.68 Å and 0.57 Å from the atoms H14 and Cl1, respectively.

Structure description top

The asymmetric unit of the title complex, [PdCl2(C11H9N)2], contains one half of a neutral PdII complex (Fig. 1). The complex is disposed about a twofold rotation axis running in the [010] direction passing through the Pd1, N1, C3, C4, C7, N2, C10, C11 and C14 atoms. The structure is similar to that of related PtII complex with a crystallization water, [PtCl2(C11H9N)2].H2O (Ha, 2011).

In the complex, the central PdII ion has a trans-Cl2N2 square-planar coordination geometry defined by two N atoms from two distinct 4-phenylpyridine ligands and two Cl- anions. The two Pd—N bond lengths are nearly equal and the N—Pd—Cl bonds are almost perpendicular (Table 1). In the refinement, one pyridine ring (N1—C3) and one benzene ring (C11—C14) were found to be disordered over two sites. The dihedral angles between the major and minor rings are 33.2 (12)° for the ring N1—C3 and 42.2 (6)° for the ring C11—C14. The molecules stack in columns along the a axis and display numerous intermolecular π-π interactions between the six-membered rings, with a shortest ring centroid-centroid distance of 4.511 (6) Å (Fig. 2).

For the crystal structure of the related PtII complex [PtCl2(C11H9N)2].H2O, see: Ha (2011).

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); 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 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The disordered structure of the title complex, with displacement ellipsoids drawn at the 50% probability level. Unlabelled atoms are related to the reference atoms by the (-x, y, 3/2 - z) symmetry transformation.
[Figure 2] Fig. 2. View of the unit-cell contents of the title complex. The minor bonds are drawn with dashed lines.
trans-Dichloridobis(4-phenylpyridine-κN)palladium(II) top
Crystal data top
[PdCl2(C11H9N)2]F(000) = 976
Mr = 487.68Dx = 1.673 Mg m−3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 4007 reflections
a = 9.4270 (15) Åθ = 2.4–28.3°
b = 23.680 (4) ŵ = 1.24 mm−1
c = 8.8554 (14) ÅT = 200 K
β = 101.572 (3)°Rod, yellow
V = 1936.6 (5) Å30.21 × 0.08 × 0.06 mm
Z = 4
Data collection top
Bruker SMART 1000 CCD
diffractometer		2358 independent reflections
Radiation source: fine-focus sealed tube1866 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
φ and ω scansθmax = 28.3°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Bruker, 2000)		h = −12→11
Tmin = 0.875, Tmax = 1.000k = −31→27
6848 measured reflectionsl = −11→11
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.029Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.077H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.038P)2]
where P = (Fo2 + 2Fc2)/3
2358 reflections(Δ/σ)max < 0.001
165 parametersΔρmax = 1.25 e Å−3
0 restraintsΔρmin = −0.51 e Å−3
Crystal data top
[PdCl2(C11H9N)2]V = 1936.6 (5) Å3
Mr = 487.68Z = 4
Monoclinic, C2/cMo Kα radiation
a = 9.4270 (15) ŵ = 1.24 mm−1
b = 23.680 (4) ÅT = 200 K
c = 8.8554 (14) Å0.21 × 0.08 × 0.06 mm
β = 101.572 (3)°
Data collection top
Bruker SMART 1000 CCD
diffractometer		2358 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2000)		1866 reflections with I > 2σ(I)
Tmin = 0.875, Tmax = 1.000Rint = 0.028
6848 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0290 restraints
wR(F2) = 0.077H-atom parameters constrained
S = 1.05Δρmax = 1.25 e Å−3
2358 reflectionsΔρmin = −0.51 e Å−3
165 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
xyzUiso*/UeqOcc. (<1)
Pd10.00000.125997 (10)0.75000.02513 (11)
Cl1−0.23973 (8)0.12738 (3)0.76980 (10)0.04242 (19)
N10.00000.04062 (12)0.75000.0249 (6)
N20.00000.21085 (11)0.75000.0251 (6)
C1A0.1164 (12)0.0107 (3)0.8189 (15)0.034 (2)0.53 (2)
H1A0.20090.03060.86730.040*0.53 (2)
C2A0.1188 (12)−0.0469 (3)0.8225 (15)0.033 (2)0.53 (2)
H2A0.2030−0.06590.87540.040*0.53 (2)
C1B0.0744 (13)0.0112 (3)0.8716 (14)0.028 (2)0.47 (2)
H1B0.12660.03160.95750.034*0.47 (2)
C2B0.0776 (12)−0.0470 (4)0.8759 (14)0.030 (2)0.47 (2)
H2B0.1318−0.06610.96310.036*0.47 (2)
C30.0000−0.07819 (14)0.75000.0258 (8)
C40.0000−0.14083 (14)0.75000.0274 (8)
C50.1253 (3)−0.17118 (10)0.8113 (3)0.0323 (6)
H50.2114−0.15140.85530.039*
C60.1257 (3)−0.22957 (11)0.8090 (3)0.0337 (6)
H60.2127−0.24960.84810.040*
C70.0000−0.25900 (15)0.75000.0315 (9)
H70.0000−0.29910.75000.038*
C80.0559 (3)0.23996 (10)0.8782 (3)0.0312 (6)
H80.09570.21980.96950.037*
C90.0575 (3)0.29803 (11)0.8819 (3)0.0316 (6)
H90.09810.31710.97490.038*
C100.00000.32924 (14)0.75000.0242 (7)
C110.00000.39200 (14)0.75000.0260 (8)
C12A0.0602 (10)0.4220 (2)0.8820 (9)0.038 (2)0.512 (12)
H12A0.10170.40220.97350.046*0.512 (12)
C13A0.0605 (9)0.4803 (3)0.8817 (10)0.044 (2)0.512 (12)
H13A0.10250.50040.97270.053*0.512 (12)
C12B0.1230 (8)0.4222 (2)0.8248 (8)0.0280 (17)0.488 (12)
H12B0.20600.40250.87780.034*0.488 (12)
C13B0.1226 (9)0.4806 (2)0.8206 (8)0.0347 (19)0.488 (12)
H13B0.20720.50090.86660.042*0.488 (12)
C140.00000.50968 (15)0.75000.0344 (9)
H140.00000.54980.75000.041*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pd10.02937 (17)0.01596 (15)0.02927 (17)0.0000.00399 (11)0.000
Cl10.0372 (4)0.0289 (4)0.0612 (5)0.0012 (3)0.0102 (4)−0.0014 (3)
N10.0261 (17)0.0203 (15)0.0278 (16)0.0000.0040 (13)0.000
N20.0291 (17)0.0183 (14)0.0277 (16)0.0000.0049 (13)0.000
C1A0.026 (4)0.027 (3)0.044 (6)0.000 (3)−0.002 (3)0.000 (3)
C2A0.032 (4)0.022 (3)0.039 (5)−0.002 (3)−0.007 (4)0.006 (3)
C1B0.033 (5)0.020 (3)0.032 (4)−0.004 (3)0.006 (3)−0.004 (3)
C2B0.039 (5)0.023 (3)0.028 (4)−0.003 (3)0.008 (4)0.005 (3)
C30.028 (2)0.0191 (17)0.032 (2)0.0000.0102 (16)0.000
C40.033 (2)0.0206 (17)0.0303 (19)0.0000.0097 (16)0.000
C50.0304 (16)0.0244 (13)0.0419 (17)−0.0017 (10)0.0065 (13)−0.0008 (12)
C60.0352 (16)0.0263 (14)0.0404 (17)0.0044 (11)0.0093 (13)0.0025 (12)
C70.045 (2)0.0182 (18)0.032 (2)0.0000.0114 (18)0.000
C80.0406 (16)0.0237 (13)0.0268 (14)0.0023 (11)0.0005 (12)0.0016 (10)
C90.0419 (17)0.0247 (13)0.0263 (14)−0.0015 (11)0.0021 (12)−0.0027 (11)
C100.0251 (19)0.0203 (17)0.0280 (19)0.0000.0072 (15)0.000
C110.033 (2)0.0193 (17)0.0285 (19)0.0000.0121 (16)0.000
C12A0.052 (5)0.024 (3)0.035 (4)0.002 (3)0.001 (3)0.002 (2)
C13A0.052 (5)0.031 (3)0.048 (4)−0.003 (3)0.006 (4)−0.013 (3)
C12B0.028 (4)0.023 (3)0.032 (4)−0.001 (2)0.004 (3)0.000 (2)
C13B0.046 (4)0.023 (3)0.037 (4)−0.006 (3)0.012 (3)−0.008 (3)
C140.045 (3)0.0193 (18)0.041 (2)0.0000.013 (2)0.000
Geometric parameters (Å, º) top
Pd1—N22.009 (3)C6—C71.384 (3)
Pd1—N12.022 (3)C6—H60.9500
Pd1—Cl1i2.3018 (8)C7—C6i1.384 (3)
Pd1—Cl12.3018 (8)C7—H70.9500
N1—C1Ai1.345 (8)C8—C91.376 (3)
N1—C1A1.345 (8)C8—H80.9500
N1—C1Bi1.354 (9)C9—C101.396 (3)
N1—C1B1.354 (9)C9—H90.9500
N2—C81.342 (3)C10—C9i1.396 (3)
N2—C8i1.342 (3)C10—C111.486 (5)
C1A—C2A1.364 (10)C11—C12A1.389 (6)
C1A—H1A0.9500C11—C12Ai1.389 (6)
C2A—C31.388 (8)C11—C12B1.409 (6)
C2A—H2A0.9500C11—C12Bi1.409 (6)
C1B—C2B1.381 (11)C12A—C13A1.381 (8)
C1B—H1B0.9500C12A—H12A0.9500
C2B—C31.413 (9)C13A—C141.379 (8)
C2B—H2B0.9500C13A—H13A0.9500
C3—C2Ai1.388 (8)C12B—C13B1.384 (8)
C3—C2Bi1.413 (9)C12B—H12B0.9500
C3—C41.483 (5)C13B—C141.383 (7)
C4—C5i1.396 (3)C13B—H13B0.9500
C4—C51.396 (3)C14—C13Ai1.379 (8)
C5—C61.383 (3)C14—C13Bi1.383 (7)
C5—H50.9500C14—H140.9500
N2—Pd1—N1180.0C5—C6—C7120.3 (3)
N2—Pd1—Cl1i89.182 (17)C5—C6—H6119.9
N1—Pd1—Cl1i90.818 (17)C7—C6—H6119.9
N2—Pd1—Cl189.182 (17)C6—C7—C6i119.5 (3)
N1—Pd1—Cl190.818 (17)C6—C7—H7120.2
Cl1i—Pd1—Cl1178.36 (3)C6i—C7—H7120.2
C1Ai—N1—C1A116.5 (7)N2—C8—C9122.3 (2)
C1A—N1—C1Bi109.6 (3)N2—C8—H8118.9
C1Ai—N1—C1B109.6 (3)C9—C8—H8118.9
C1Bi—N1—C1B118.1 (7)C8—C9—C10120.6 (2)
C1Ai—N1—Pd1121.8 (3)C8—C9—H9119.7
C1A—N1—Pd1121.8 (3)C10—C9—H9119.7
C1Bi—N1—Pd1120.9 (4)C9i—C10—C9116.1 (3)
C1B—N1—Pd1120.9 (4)C9i—C10—C11121.95 (16)
C8—N2—C8i118.2 (3)C9—C10—C11121.95 (16)
C8—N2—Pd1120.91 (15)C12A—C11—C12Ai118.4 (6)
C8i—N2—Pd1120.91 (15)C12Ai—C11—C12B107.2 (4)
N1—C1A—C2A123.0 (7)C12A—C11—C12Bi107.2 (4)
N1—C1A—H1A118.5C12B—C11—C12Bi119.1 (5)
C2A—C1A—H1A118.5C12A—C11—C10120.8 (3)
C1A—C2A—C3121.0 (6)C12Ai—C11—C10120.8 (3)
C1A—C2A—H2A119.5C12B—C11—C10120.5 (3)
C3—C2A—H2A119.5C12Bi—C11—C10120.5 (3)
N1—C1B—C2B122.7 (7)C13A—C12A—C11120.7 (6)
N1—C1B—H1B118.6C13A—C12A—H12A119.6
C2B—C1B—H1B118.6C11—C12A—H12A119.6
C1B—C2B—C3119.7 (7)C14—C13A—C12A120.3 (6)
C1B—C2B—H2B120.2C14—C13A—H13A119.8
C3—C2B—H2B120.2C12A—C13A—H13A119.8
C2A—C3—C2Ai115.4 (7)C13B—C12B—C11119.8 (5)
C2Ai—C3—C2B109.2 (4)C13B—C12B—H12B120.1
C2A—C3—C2Bi109.2 (4)C11—C12B—H12B120.1
C2B—C3—C2Bi117.1 (8)C14—C13B—C12B120.5 (6)
C2A—C3—C4122.3 (3)C14—C13B—H13B119.7
C2Ai—C3—C4122.3 (3)C12B—C13B—H13B119.7
C2B—C3—C4121.5 (4)C13Ai—C14—C13A119.5 (6)
C2Bi—C3—C4121.5 (4)C13A—C14—C13Bi107.3 (4)
C5i—C4—C5118.0 (3)C13Ai—C14—C13B107.3 (4)
C5i—C4—C3120.99 (16)C13Bi—C14—C13B120.2 (6)
C5—C4—C3120.99 (16)C13Ai—C14—H14120.2
C6—C5—C4120.9 (3)C13A—C14—H14120.2
C6—C5—H5119.5C13Bi—C14—H14119.9
C4—C5—H5119.5C13B—C14—H14119.9
Cl1i—Pd1—N1—C1Ai−144.2 (8)C2B—C3—C4—C5−38.6 (7)
Cl1—Pd1—N1—C1Ai35.8 (8)C2Bi—C3—C4—C5141.4 (7)
Cl1i—Pd1—N1—C1A35.8 (8)C5i—C4—C5—C61.06 (18)
Cl1—Pd1—N1—C1A−144.2 (8)C3—C4—C5—C6−178.94 (18)
Cl1i—Pd1—N1—C1Bi−110.4 (7)C4—C5—C6—C7−2.1 (4)
Cl1—Pd1—N1—C1Bi69.6 (7)C5—C6—C7—C6i1.05 (18)
Cl1i—Pd1—N1—C1B69.6 (7)C8i—N2—C8—C9−0.01 (19)
Cl1—Pd1—N1—C1B−110.4 (7)Pd1—N2—C8—C9179.99 (19)
Cl1i—Pd1—N2—C8−79.23 (14)N2—C8—C9—C100.0 (4)
Cl1—Pd1—N2—C8100.77 (14)C8—C9—C10—C9i−0.01 (18)
Cl1i—Pd1—N2—C8i100.77 (14)C8—C9—C10—C11179.99 (18)
Cl1—Pd1—N2—C8i−79.23 (14)C9i—C10—C11—C12A−178.8 (5)
C1Ai—N1—C1A—C2A−0.9 (5)C9—C10—C11—C12A1.2 (5)
C1Bi—N1—C1A—C2A−31.3 (6)C9i—C10—C11—C12Ai1.2 (5)
C1B—N1—C1A—C2A81.7 (13)C9—C10—C11—C12Ai−178.8 (5)
Pd1—N1—C1A—C2A179.1 (5)C9i—C10—C11—C12B−137.3 (4)
N1—C1A—C2A—C31.8 (9)C9—C10—C11—C12B42.7 (4)
C1Ai—N1—C1B—C2B30.4 (6)C9i—C10—C11—C12Bi42.7 (4)
C1A—N1—C1B—C2B−79.2 (13)C9—C10—C11—C12Bi−137.3 (4)
C1Bi—N1—C1B—C2B0.2 (5)C12Ai—C11—C12A—C13A−0.2 (5)
Pd1—N1—C1B—C2B−179.8 (5)C12B—C11—C12A—C13A79.4 (8)
N1—C1B—C2B—C3−0.5 (9)C12Bi—C11—C12A—C13A−36.9 (6)
C1A—C2A—C3—C2Ai−0.9 (4)C10—C11—C12A—C13A179.8 (5)
C1A—C2A—C3—C2B−83.7 (14)C11—C12A—C13A—C140.4 (10)
C1A—C2A—C3—C2Bi28.3 (6)C12A—C11—C12B—C13B−80.1 (8)
C1A—C2A—C3—C4179.1 (4)C12Ai—C11—C12B—C13B35.0 (5)
C1B—C2B—C3—C2A79.8 (13)C12Bi—C11—C12B—C13B−1.5 (4)
C1B—C2B—C3—C2Ai−28.6 (6)C10—C11—C12B—C13B178.5 (4)
C1B—C2B—C3—C2Bi0.2 (4)C11—C12B—C13B—C143.1 (8)
C1B—C2B—C3—C4−179.8 (4)C12A—C13A—C14—C13Ai−0.2 (5)
C2A—C3—C4—C5i174.0 (8)C12A—C13A—C14—C13Bi38.0 (6)
C2Ai—C3—C4—C5i−6.0 (8)C12A—C13A—C14—C13B−79.6 (8)
C2B—C3—C4—C5i141.4 (7)C12B—C13B—C14—C13Ai−39.6 (6)
C2Bi—C3—C4—C5i−38.6 (7)C12B—C13B—C14—C13A76.8 (8)
C2A—C3—C4—C5−6.0 (8)C12B—C13B—C14—C13Bi−1.6 (4)
C2Ai—C3—C4—C5174.0 (8)
Symmetry code: (i) −x, y, −z+3/2.

Experimental details

Crystal data
Chemical formula[PdCl2(C11H9N)2]
Mr487.68
Crystal system, space groupMonoclinic, C2/c
Temperature (K)200
a, b, c (Å)9.4270 (15), 23.680 (4), 8.8554 (14)
β (°) 101.572 (3)
V (Å3)1936.6 (5)
Z4
Radiation typeMo Kα
µ (mm−1)1.24
Crystal size (mm)0.21 × 0.08 × 0.06
Data collection
DiffractometerBruker SMART 1000 CCD
Absorption correctionMulti-scan
(SADABS; Bruker, 2000)
Tmin, Tmax0.875, 1.000
No. of measured, independent and
observed [I > 2σ(I)] reflections		6848, 2358, 1866
Rint0.028
(sin θ/λ)max (Å−1)0.667
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.029, 0.077, 1.05
No. of reflections2358
No. of parameters165
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å−3)1.25, −0.51

Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009).

Selected bond lengths (Å) top
Pd1—N22.009 (3)Pd1—Cl12.3018 (8)
Pd1—N12.022 (3)
 

Acknowledgements

This work was supported by the Priority Research Centers Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (2010–0029626).

References

First citationBruker (2000). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
 First citationFarrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  CrossRef IUCr Journals Google Scholar
 First citationHa, K. (2011). Z. Kristallogr. New Cryst. Struct. 226, 577–578.  CAS Google Scholar
 First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
 First citationSpek, A. L. (2009). Acta Cryst. D65, 148–155.  Web of Science CrossRef CAS IUCr Journals Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 67| Part 12| December 2011| Page m1895
https://doi.org/10.1107/S160053681105063X
Follow Acta Cryst. E
Sign up for e-alerts
E-alerts
Follow Acta Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS