Crystallography Open Database

Information card for entry 1563548

Preview

Coordinates	1563548.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Potassium Thorium Hexanitrate
Formula	K2 N6 O18 Th
Calculated formula	K2 N6 O18 Th
SMILES	[K+].[K+].N1(=[O][Th]23456(ON(=O)=[O]2)(O1)([O]=N(=O)O5)([O]=N(=O)O6)([O]=N(=[O])[O]3)ON(=O)=[O]4)=O
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	13.606 ± 0.0011 Å
b	13.606 ± 0.0011 Å
c	6.6411 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	1064.71 ± 0.16 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	0.711
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.	1563548.cif