Crystallography Open Database

Information card for entry 1563547

Preview

Coordinates	1563547.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Thorium nitrate hydroxide hydrate
Formula	H6 N2 O10 Th
Calculated formula	H6 N2 O10 Th
SMILES	[Th]123([OH2])([OH2])(ON(=[O]1)=O)(ON(=[O]2)=O)[OH][Th]12([OH2])([OH2])(ON(=[O]1)=O)(ON(=[O]2)=O)(O)(O)[OH]3
Title of publication	Crystal chemistry of thorium nitrates and chromates
Authors of publication	Sigmon, Ginger E.; Burns, Peter C.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	7
Pages of publication	1604 - 1608
a	14.0502 ± 0.0011 Å
b	8.9916 ± 0.0007 Å
c	5.9539 ± 0.0005 Å
α	90°
β	101.014 ± 0.002°
γ	90°
Cell volume	738.32 ± 0.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
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	0.0219
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0426
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
266530 (current)	2021-06-17	cif/ Adding structures of 1563547, 1563548, 1563549, 1563550, 1563551, 1563552 via cif-deposit CGI script.	1563547.cif