Crystallography Open Database

Information card for entry 8102604

Preview

Coordinates	8102604.cif

Structure parameters

Chemical name	bis(N-cetylpyridinium) bis(2-thioxo-1,3-dithiole- 4,5-dithiolato)palladium(II)
Formula	C48 H76 N2 Pd S10
Calculated formula	C48 H76 N2 Pd S10
Title of publication	Crystal structure of bis(N-cetylpyridinium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)palladium(II), [C21H38N]2[Pd(C3S5)2] 131
Authors of publication	Yan Ling Wang; Jing Jing Zheng; Li Ma; Ye Fei Wang; Gui Mei Yuan; Jie Ni
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	131
a	7.903 ± 0.002 Å
b	10.081 ± 0.003 Å
c	19.102 ± 0.005 Å
α	99.101 ± 0.004°
β	92.824 ± 0.004°
γ	108.797 ± 0.004°
Cell volume	1414.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1255
Residual factor for significantly intense reflections	0.1074
Weighted residual factors for significantly intense reflections	0.3067
Weighted residual factors for all reflections included in the refinement	0.3268
Goodness-of-fit parameter for all reflections included in the refinement	1.221
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.	8102604.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102604.cif
13343	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102604 via cif-deposit CGI script.	8102604.cif