Crystallography Open Database

Information card for entry 4508835

Preview

Coordinates	4508835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 N2 O6 U
Calculated formula	C16 H16 N2 O6 U
Title of publication	Crystal Engineering with the Uranyl Cation II. Mixed Aliphatic Carboxylate/Aromatic Pyridyl Coordination Polymers: Synthesis, Crystal Structures, and Sensitized Luminescence
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	2248
a	12.2138 ± 0.0008 Å
b	12.2138 ± 0.0008 Å
c	10.033 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	1296.17 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.0466
Goodness-of-fit parameter for all reflections included in the refinement	0.884
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4508835.cif
96962	2014-01-29	cif/ Adding structures of 4508834, 4508835, 4508836, 4508837, 4508838, 4508839, 4508840, 4508841, 4508842, 4508843, 4508844 via cif-deposit CGI script.	4508835.cif