Crystallography Open Database

Information card for entry 1561079

Preview

Coordinates	1561079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H6 O9.65 Tb
Calculated formula	C3 H6 O9.654 Tb
Title of publication	Efficient green luminescence of terbium oxalate crystals: A case study with Judd-Ofelt theory and single crystal structure analysis and the effect of dehydration on luminescence
Authors of publication	Alexander, Dinu; Joy, Monu; Thomas, Kukku; Sisira, S.; Biju, P.R.; Unnikrishnan, N.V.; Sudarsanakumar, C.; Ittyachen, M.A.; Joseph, Cyriac
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	262
Pages of publication	68 - 78
a	10.9608 ± 0.0014 Å
b	9.5774 ± 0.0013 Å
c	9.9838 ± 0.0013 Å
α	90°
β	114.196 ± 0.004°
γ	90°
Cell volume	956 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
263085 (current)	2021-03-17	cif/ Adding structures of 1561079 via cif-deposit CGI script.	1561079.cif