Crystallography Open Database

Information card for entry 4500282

Preview

Coordinates	4500282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H41 N2 O23.5 U2
Calculated formula	C36 H41 N2 O23.5 U2
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	11.106 ± 0.0004 Å
b	13.2861 ± 0.0005 Å
c	15.3098 ± 0.0005 Å
α	77.361 ± 0.002°
β	84.741 ± 0.003°
γ	71.863 ± 0.002°
Cell volume	2094.11 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	4500282.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500282.cif
34433	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500280, 4500281, 4500282, 4500283, 4500284, 4500285 via cif-deposit CGI script.	4500282.cif