Crystallography Open Database

Information card for entry 4514210

Preview

Coordinates	4514210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H48 O34 Zr6
Calculated formula	C68 H48 O34 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	23.874 ± 0.018 Å
b	23.874 Å
c	15.894 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	9059 ± 10 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.1473
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
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.	4514210.cif
201455	2017-09-29	cif/ Adding structures of 4514210, 4514211, 4514212, 4514213, 4514214, 4514215 via cif-deposit CGI script.	4514210.cif