Crystallography Open Database

Information card for entry 8102699

Preview

Coordinates	8102699.cif

Structure parameters

Chemical name	(2,2'-Bipyridine-κ^2^N,N')bis(isothiocyanato-κN)palladium(II)
Formula	C12 H8 N4 Pd S2
Calculated formula	C12 H8 N4 Pd S2
Title of publication	Crystal structure of bis(isothiocyanato-kN)-(2,2'-bipyridine-k2N,N')palladium(II), Pd(NCS)2(C10H8N2)
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	299
a	10.2939 ± 0.0012 Å
b	19.991 ± 0.002 Å
c	6.4727 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1332 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.1077
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102699.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102699.cif
13438	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102699 via cif-deposit CGI script.	8102699.cif