Crystallography Open Database

Information card for entry 4339238

Preview

Coordinates	4339238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 Br2 O10 U
Calculated formula	C16 H6 Br2 O10 U
Title of publication	(6,3)-honeycomb structures of uranium(VI) benzenedicarboxylate derivatives: the use of noncovalent interactions to prevent interpenetration.
Authors of publication	Go, Yong Bok; Wang, Xiqu; Jacobson, Allan J.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6594 - 6600
a	7.873 ± 0.005 Å
b	18.358 ± 0.014 Å
c	6.893 ± 0.005 Å
α	90°
β	115.96 ± 0.02°
γ	90°
Cell volume	895.7 ± 1.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0957
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
179495 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92.	4339238.cif
117220	2014-06-14	cif/ Adding structures of 4339235, 4339236, 4339237, 4339238 via cif-deposit CGI script.	4339238.cif