Crystallography Open Database

Information card for entry 7703016

Preview

Coordinates	7703016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H70 N12 O24 Th3 en lv so t
Calculated formula	C113.5 H70 N12 O24 Th3
Title of publication	A mixed-ligand strategy regulates thorium-based MOFs.
Authors of publication	Huang, Zhi-Wei; Hu, Kong-Qiu; Mei, Lei; Kong, Xiang-He; Yu, Ji-Pan; Liu, Kang; Zeng, Li-Wen; Chai, Zhi-Fang; Shi, Wei-Qun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	983 - 987
a	30.8643 ± 0.001 Å
b	33.5932 ± 0.001 Å
c	16.8652 ± 0.0005 Å
α	90°
β	109.072 ± 0.001°
γ	90°
Cell volume	16526.5 ± 0.9 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	9
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247709 (current)	2020-02-04	cif/ Updating files of 7703016, 7703017 Original log message: Adding full bibliography for 7703016--7703017.cif.	7703016.cif
245473	2019-12-21	cif/ Adding structures of 7703016, 7703017 via cif-deposit CGI script.	7703016.cif