Crystallography Open Database

Information card for entry 7209648

7209647 << 7209648 >> 7209649

Preview

Coordinates	7209648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cd2 K3 N9 O16
Calculated formula	C12 H8 Cd2 K3 N9 O16
Title of publication	Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties
Authors of publication	Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	14
Pages of publication	2682
a	7.9992 ± 0.0004 Å
b	7.6259 ± 0.0003 Å
c	20.6651 ± 0.001 Å
α	90°
β	97.391 ± 0.004°
γ	90°
Cell volume	1250.12 ± 0.1 Å³
Cell temperature	121.2 K
Ambient diffraction temperature	121.2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
180427 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/96.	7209648.cif
86063	2013-05-09	cif/ Adding structures of 7209646, 7209647, 7209648 via cif-deposit CGI script.	7209648.cif