Crystallography Open Database

Information card for entry 2013069

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Structure parameters

Chemical name	[5-Benzyl-3-phenyl-2-(2-pyridyl-κN)thiazolidin-4-one-κS]dichloropalladium(II)
Formula	C21 H18 Cl2 N2 O Pd S
Calculated formula	C21 H18 Cl2 N2 O Pd S
SMILES	[Pd]1(Cl)(Cl)[S]2[C@H](N(C(=O)[C@@H]2Cc2ccccc2)c2ccccc2)c2[n]1cccc2.[Pd]1(Cl)(Cl)[S]2[C@@H](N(C(=O)[C@H]2Cc2ccccc2)c2ccccc2)c2[n]1cccc2
Title of publication	[5-Benzyl-3-phenyl-2-(2-pyridyl-κ<i>N</i>)thiazolidin-4-one-κ<i>S</i>]dichloropalladium(II)
Authors of publication	Mills, Allison M.; Lutz, Martin; Strijdonck, Gino P. F. van; Kamer, Paul C. J.; Leeuwen, Piet W. N. M. van; Spek, Anthony L.
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	12
Pages of publication	m583 - m585
a	11.127 ± 0.0008 Å
b	15.622 ± 0.001 Å
c	12.47 ± 0.001 Å
α	90°
β	106.28 ± 0.01°
γ	90°
Cell volume	2080.7 ± 0.3 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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