Crystallography Open Database

Information card for entry 7215308

Preview

Coordinates	7215308.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cadmium 2-nitroimidazolate
Formula	C4.5 H3 Cd0.75 N4.5 O3
Calculated formula	C4.5 H3 Cd0.75 N4.5 O3
Title of publication	A novel cadmium imidazolate framework (CdIF) with ice-XII structure of itv topology
Authors of publication	Li, Yan-Tao; Yao, Shi-Yan; Wang, Yan; Cui, Ke-Hui; Li, Hai-Qin; Wang, Xin; Zhu, Jian-Qi; Li, Jia; Tian, Yun-Qi
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	3470
a	18.0847 ± 0.0008 Å
b	18.0847 ± 0.0008 Å
c	9.9217 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3245 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	0.812
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7215308.cif
111911	2014-04-28	cif/ Adding structures of 7215308 via cif-deposit CGI script.	7215308.cif