Crystallography Open Database

Information card for entry 1519090

1519089 << 1519090 >> 1519091

Preview

Coordinates	1519090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 F3 N Na2 O8 U
Calculated formula	C6 H12 F3 N Na2 O8 U
SMILES	[U]1(F)(F)(F)(=O)(=O)OC(=O)c2[n]1cccc2.[Na+].[Na+].O.O.O.O
Title of publication	Structure of the Sodium Salt of the Ternary Uranyl‒Picolinate‒Fluoride Complex [UO2(picolinate)F3] Na2(H2O)4.
Authors of publication	Aas, Wenche; Johansson, Maria H.
Journal of publication	Acta Chemica Scandinavica
Year of publication	1999
Journal volume	53
Pages of publication	581 - 583
a	7.1219 ± 0.0001 Å
b	8.6926 ± 0.0002 Å
c	12.8483 ± 0.0003 Å
α	106.26 ± 0.001°
β	91.328 ± 0.001°
γ	113.379 ± 0.001°
Cell volume	692.72 ± 0.03 Å³
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.103
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
189246 (current)	2016-12-19	cif/1 (antanas@echidna.ibt.lt) Marking attached hydrogen atoms.	1519090.cif
189214	2016-12-19	cif/1/51/90/ (antanas@echidna.ibt.lt) Adding the 'O8' atom coordinates after consulting the original publication.	1519090.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519090.cif
135367	2015-04-26	cif/ Adding structures of 1519090 via cif-deposit CGI script.	1519090.cif