Crystallography Open Database

Information card for entry 1563549

Preview

Coordinates	1563549.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	'Tetrapropylammonium thorium nitrate'
Formula	C24 Br0 N8 O18 Th
Calculated formula	C24 N8 O18 Th
SMILES	[Th]123456([O]=N(=O)O6)(ON(=[O]5)=O)([O]=N(=O)O2)([O]=N(=O)O1)([O]=N(=O)O3)ON(=[O]4)=O.[N+](CCC)(CCC)(CCC)CCC.[N+](CCC)(CCC)(CCC)CCC
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	14.643 ± 0.004 Å
b	15.772 ± 0.005 Å
c	22.316 ± 0.005 Å
α	90°
β	131.008 ± 0.011°
γ	90°
Cell volume	3889 ± 2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.0658
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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.	1563549.cif