Crystallography Open Database

Information card for entry 2241011

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Structure parameters

Chemical name	(Piperidine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>)[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)
Formula	C17 H18 N2 Pd S2
Calculated formula	C17 H18 N2 Pd S2
SMILES	c1cccc2c3c([Pd]4([n]12)[S]=C(N1CCCCC1)S4)cccc3
Title of publication	Crystal structure of (piperidine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>)[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)
Authors of publication	Kondrashov, Mikhail; Fleckhaus, André; Gritcenko, Roman; Wendt, Ola F.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	9
Pages of publication	m166
a	24.078 ± 0.0009 Å
b	8.5585 ± 0.0002 Å
c	26.6841 ± 0.001 Å
α	90°
β	113.514 ± 0.004°
γ	90°
Cell volume	5042.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0937
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181911 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10.	2241011.cif 2241011.hkl
153458	2015-08-16	cif/ hkl/ Adding structures of 2241011 via cif-deposit CGI script.	2241011.cif 2241011.hkl