Crystallography Open Database

Information card for entry 7112745

Preview

Coordinates	7112745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H71 Ce N7 O8
Calculated formula	C59 H71 Ce N7 O8
SMILES	[Ce]1234(ON(c5ccccc5)C(=[O]1)C(C)(C)C)(ON(c1ccccc1)C(=[O]2)C(C)(C)C)(ON(c1ccccc1)C(=[O]3)C(C)(C)C)ON(c1ccccc1)C(=[O]4)C(C)(C)C.n1ccccc1.n1ccccc1.n1ccccc1
Title of publication	Structural and electrochemical characterization of a cerium(IV) hydroxamate complex: implications for the beneficiation of light rare earth ores
Authors of publication	Heui Beom Lee; Justin A. Bogart; Patrick J. Carroll; Eric J. Schelter
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5361
a	11.1132 ± 0.0009 Å
b	16.0672 ± 0.0013 Å
c	17.0331 ± 0.0014 Å
α	77.983 ± 0.005°
β	76.94 ± 0.005°
γ	74.647 ± 0.004°
Cell volume	2821.1 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0599
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
180241 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112745.cif
112059	2014-04-29	cif/ Adding structures of 7112745 via cif-deposit CGI script.	7112745.cif