Crystallography Open Database

Information card for entry 7203565

7203564 << 7203565 >> 7203566

Preview

Coordinates	7203565.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetramethylammonium uranium oxide nitrate
Chemical name	Tetramethylammonium uranium oxide nitrate
Formula	C4 H12 N4 O11 U
Calculated formula	C4 H12 N4 O11 U
SMILES	[U]123(=O)(=O)([O]=N(=O)O1)([O]=N(=O)O2)[O]=N(=O)O3.[N+](C)(C)(C)C
Title of publication	[N(CH3)4][(UO2)2F5]: A new organically templated open-framework uranium oxide fluoride (MUF-2)
Authors of publication	Ok, Kang Min; Doran, Michael B.; O'Hare, Dermot
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	33
Pages of publication	3366
a	7.767 ± 0.0016 Å
b	16.964 ± 0.003 Å
c	11.255 ± 0.002 Å
α	90°
β	105.98 ± 0.03°
γ	90°
Cell volume	1425.6 ± 0.5 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 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	0.0502
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	0.89
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
180366 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/35.	7203565.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203565.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203565.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7203565.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203565.cif