Crystallography Open Database

Information card for entry 4511294

Preview

Coordinates	4511294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H64 Cd3 N4 O30
Calculated formula	C60 H24 Cd3 O30
Title of publication	Luminescent Anionic Metal‒Organic Framework with Potential Nitrobenzene Sensing
Authors of publication	He, Yuan-Chun; Zhang, Hong-Mei; Liu, Ying-Ying; Zhai, Qiu-Yi; Shen, Qiu-Tong; Song, Shu-Yan; Ma, Jian-Fang
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3174
a	21.788 ± 0.0002 Å
b	21.788 ± 0.0002 Å
c	23.621 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	11213.3 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	138
Hermann-Mauguin space group symbol	P 42/n c m :2
Hall space group symbol	-P 4ac 2ac
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1693
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179659 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/12.	4511294.cif
119037	2014-07-05	cif/ Updating files of 4511294 Original log message: Adding full bibliography for 4511294.cif.	4511294.cif
116369	2014-06-11	cif/ Adding structures of 4511294 via cif-deposit CGI script.	4511294.cif