Crystallography Open Database

Information card for entry 4514213

Preview

Coordinates	4514213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H48 O38 Zr6
Calculated formula	C92 H48 O38 Zr6
Title of publication	Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.
Authors of publication	Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	39
Pages of publication	33408 - 33412
a	23.6077 ± 0.0004 Å
b	23.608 Å
c	17.1351 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9549.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	131
Hermann-Mauguin space group symbol	P 42/m m c
Hall space group symbol	-P 4c 2
Residual factor for all reflections	0.1308
Residual factor for significantly intense reflections	0.1048
Weighted residual factors for significantly intense reflections	0.2493
Weighted residual factors for all reflections included in the refinement	0.2676
Goodness-of-fit parameter for all reflections included in the refinement	1.178
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202640 (current)	2017-11-07	cif/ Updating files of 4514210, 4514211, 4514212, 4514213, 4514214, 4514215 Original log message: Adding full bibliography for 4514210--4514215.cif.	4514213.cif
201455	2017-09-29	cif/ Adding structures of 4514210, 4514211, 4514212, 4514213, 4514214, 4514215 via cif-deposit CGI script.	4514213.cif