Crystallography Open Database

Information card for entry 4119762

4119761 << 4119762 >> 4119763

Preview

Coordinates	4119762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Cd N4
Calculated formula	C6 H6 Cd N4
Title of publication	Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2
Authors of publication	Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	7610 - 7620
a	14.3358 ± 0.0005 Å
b	10.7957 ± 0.0003 Å
c	9.8884 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1530.38 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.024
Weighted residual factors for all reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0374
Weighted residual factors for all reflections included in the refinement	0.0448
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4119762.cif
103944	2014-03-10	cif/ Adding structures of 4119762 via cif-deposit CGI script.	4119762.cif