Crystallography Open Database

Information card for entry 2214485

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Structure parameters

Chemical name	Chlorido{4-chloro-1-[2-(methylsulfanyl)phenyldiazenyl]phenyl-\ κ^3^<i>C</i>,<i>N</i>,<i>S</i>}palladium(II)
Formula	C13 H10 Cl2 N2 Pd S
Calculated formula	C13 H10 Cl2 N2 Pd S
SMILES	c1c(Cl)cc2[Pd]3(Cl)[S](C)c4c([N]3=Nc2c1)cccc4
Title of publication	Chlorido{4-chloro-1-[2-(methylsulfanyl)phenyldiazenyl]phenyl-κ^3^<i>C</i>,<i>N</i>,<i>S</i>}palladium(II): a second polymorph
Authors of publication	Bagchi, Vivek; Das, Purak; Bandyopadhyay, Debkumar
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	m2130 - m2130
a	7.3978 ± 0.001 Å
b	8.8652 ± 0.0012 Å
c	20.978 ± 0.003 Å
α	90°
β	94.668 ± 0.002°
γ	90°
Cell volume	1371.2 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0517
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.306
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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