Crystallography Open Database

Information card for entry 4500280

Preview

Coordinates	4500280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 N O9 U
Calculated formula	C16 H21 N O9 U
Title of publication	Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands
Authors of publication	Thuéry, Pierre
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	347
a	9.7665 ± 0.0002 Å
b	19.3844 ± 0.0009 Å
c	20.3345 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3849.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
179533 (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 4/50/02.	4500280.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500280.cif
34433	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500280, 4500281, 4500282, 4500283, 4500284, 4500285 via cif-deposit CGI script.	4500280.cif