Crystallography Open Database

Information card for entry 7055213

Preview

Coordinates	7055213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H59 N O33 Tb4
Calculated formula	C87 H59 N O33 Tb4
Title of publication	Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties
Authors of publication	Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	12
Pages of publication	9872
a	15.9451 ± 0.0014 Å
b	28.148 ± 0.003 Å
c	23.416 ± 0.002 Å
α	90°
β	107.837 ± 0.002°
γ	90°
Cell volume	10004.5 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
170884 (current)	2015-12-08	cif/ Adding structures of 7055207, 7055208, 7055209, 7055210, 7055211, 7055212, 7055213, 7055214 via cif-deposit CGI script.	7055213.cif