Crystallography Open Database

Information card for entry 1513863

Preview

Coordinates	1513863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24.67 O13 Zn2.67
Calculated formula	C33 H24.67 O12.33 Zn2.44333
Title of publication	Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption
Authors of publication	Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	4
Pages of publication	1368
a	23.9647 ± 0.0014 Å
b	23.9647 ± 0.0014 Å
c	23.9647 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	13763.1 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	195
Hermann-Mauguin space group symbol	P 2 3
Hall space group symbol	P 2 2 3
Residual factor for all reflections	0.1705
Residual factor for significantly intense reflections	0.0966
Weighted residual factors for significantly intense reflections	0.2585
Weighted residual factors for all reflections included in the refinement	0.2899
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513863.cif
107093	2014-03-17	cif/ Adding structures of 1513863, 1513864 via cif-deposit CGI script.	1513863.cif