Crystallography Open Database

Information card for entry 4508831

Preview

Coordinates	4508831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 O6 U
Calculated formula	C8 H12 O6 U
Title of publication	Crystal Engineering with the Uranyl Cation I. Aliphatic Carboxylate Coordination Polymers: Synthesis, Crystal Structures, and Fluorescent Properties
Authors of publication	Borkowski, Lauren A.; Cahill, Christopher L.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	10
Pages of publication	2241
a	4.4142 ± 0.0004 Å
b	5.548 ± 0.0006 Å
c	10.718 ± 0.0012 Å
α	77.47 ± 0.002°
β	81.865 ± 0.002°
γ	85.993 ± 0.002°
Cell volume	253.45 ± 0.05 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179624 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/88.	4508831.cif
96961	2014-01-29	cif/ Adding structures of 4508830, 4508831, 4508832, 4508833 via cif-deposit CGI script.	4508831.cif