Crystallography Open Database

Information card for entry 1513864

Preview

Coordinates	1513864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H36 N0 O19 Zn4
Calculated formula	C49.5 H36 O19 Zn4
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	26.669 ± 0.003 Å
b	26.669 ± 0.003 Å
c	86.622 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	53355 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1675
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	0.7
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513864.cif
107093	2014-03-17	cif/ Adding structures of 1513863, 1513864 via cif-deposit CGI script.	1513864.cif