Crystallography Open Database

Information card for entry 7215299

Preview

Coordinates	7215299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.85 H20.65 Cd N4.95 O6.7
Calculated formula	C20 H14 Cd N4 O4
Title of publication	Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid
Authors of publication	Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	3432
a	19.0367 ± 0.0016 Å
b	8.23 ± 0.0007 Å
c	18.2963 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2866.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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.	7215299.cif
111909	2014-04-28	cif/ Adding structures of 7215295, 7215296, 7215297, 7215298, 7215299, 7215300, 7215301, 7215302 via cif-deposit CGI script.	7215299.cif