Crystallography Open Database

Information card for entry 4311864

Preview

Coordinates	4311864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br4 H8 O8 U2
Calculated formula	Br4 H8 O8 U2
SMILES	[U]1([OH2])([OH2])(=O)(=O)(Br)[Br][U](=O)(=O)([OH2])([OH2])(Br)[Br]1
Title of publication	Synthesis and Characterization of Heavier Dioxouranium(VI) Dihalides
Authors of publication	Margaret-Jane Crawford; Arkady Ellern; Konstantin Karaghiosoff; Peter Mayer; Heinrich Nöth; Max Suter
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7120 - 7126
a	6.0568 ± 0.0007 Å
b	10.5117 ± 0.0009 Å
c	10.3623 ± 0.0012 Å
α	90°
β	99.616 ± 0.014°
γ	90°
Cell volume	650.47 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	202 ± 2 K
Number of distinct elements	4
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	0.0375
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.532
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311864.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311864.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311864.cif
3366	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311864 via cif-deposit CGI script.	4311864.cif