Crystallography Open Database

Information card for entry 7125320

Preview

Coordinates	7125320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 Cl0.25 N2 O5 Tb0.5
Calculated formula	C9 H4 Cl0.25 N2 O5 Tb0.5
Title of publication	An anionic sod-type terbium-MOF with extra-large cavities for effective anthocyanin extraction and methyl viologen detection.
Authors of publication	Du, Wei; Zhu, Zhifeng; Bai, Yue-Ling; Yang, Zhen; Zhu, Shourong; Xu, Jiaqiang; Xie, Zhaoxiong; Fang, Jianhui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	47
Pages of publication	5972 - 5975
a	54.8796 ± 0.0009 Å
b	54.8796 ± 0.0009 Å
c	54.8796 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	165285 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.01 K
Number of distinct elements	6
Space group number	226
Hermann-Mauguin space group symbol	F m -3 c
Hall space group symbol	-F 4a 2 3
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.2059
Weighted residual factors for all reflections included in the refinement	0.2182
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236759 (current)	2019-11-24	cif/ Adding structures of 7125320 via cif-deposit CGI script.	7125320.cif