Crystallography Open Database

Information card for entry 1568541

Preview

Coordinates	1568541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H0 La0.67 N O4 S
Calculated formula	C9 La0.666667 N O4 S
Title of publication	An ultrastable La-MOF for catalytic hydrogen transfer of furfural: <i>in situ</i> activation of the surface.
Authors of publication	Zhao, Xu; Sun, Lu; Zhai, Zhouxiao; Tian, Di; Wang, Ying; Zou, Xiaoqin; Min, Chungang; Zhuang, Changfu
Journal of publication	Nanoscale
Year of publication	2023
Journal volume	15
Journal issue	14
Pages of publication	6645 - 6654
a	16.454 ± 0.0005 Å
b	16.454 ± 0.0005 Å
c	9.7316 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	2281.7 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2083
Weighted residual factors for all reflections included in the refinement	0.2083
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
283370 (current)	2023-05-05	cif/ Updating files of 1568541 Original log message: Adding full bibliography for 1568541.cif.	1568541.cif
281169	2023-02-28	cif/ Adding structures of 1568541 via cif-deposit CGI script.	1568541.cif