Crystallography Open Database

Information card for entry 7037584

Preview

Coordinates	7037584.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,3,5-tri(4'-carboxylphenyl) benzoic thorium
Formula	C89 H85 Cl7 N10 O12 Th2
Calculated formula	C89 H85 Cl7 N10 O12 Th2
Title of publication	Surprising coordination for low-valent actinides resembling uranyl(vi) in thorium(iv) organic hybrid layered and framework structures based on a graphene-like (6,3) sheet topology.
Authors of publication	Li, Yuxiang; Weng, Zhehui; Wang, Yanlong; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	3
Pages of publication	918 - 921
a	17.427 ± 0.003 Å
b	30.021 ± 0.005 Å
c	18.374 ± 0.004 Å
α	90°
β	114.813 ± 0.004°
γ	90°
Cell volume	8725 ± 3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1162
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.173
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176039 (current)	2016-02-05	cif/ Updating files of 7037584, 7037585, 7037586 Original log message: Adding full bibliography for 7037584--7037586.cif.	7037584.cif
170895	2015-12-09	cif/ Adding structures of 7037584, 7037585, 7037586 via cif-deposit CGI script.	7037584.cif