Crystallography Open Database

Information card for entry 7243818

Preview

Coordinates	7243818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H12 O12 Sc
Calculated formula	C3 H12 O12 Sc
Title of publication	Two scandium-based coordination polymers: rapid ultrasound-assisted synthesis, crystal transformation, and catalytic properties
Authors of publication	Liu, Rui; Jiang, Yansong; Gong, Yiran; Fu, Yu; Shen, Jieyu; Wang, Li; Fan, Yong; Guo, Yupeng; Xu, Jianing
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	44
Pages of publication	7813 - 7821
a	7.8876 ± 0.0005 Å
b	8.3604 ± 0.0006 Å
c	9.668 ± 0.0007 Å
α	65.082 ± 0.002°
β	76.419 ± 0.002°
γ	73.429 ± 0.002°
Cell volume	549.34 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
271154 (current)	2021-12-07	cif/ Updating files of 7243818 Original log message: Adding full bibliography for 7243818.cif.	7243818.cif
270188	2021-11-02	cif/ Adding structures of 7243818 via cif-deposit CGI script.	7243818.cif