Crystallography Open Database

Information card for entry 4335222

Preview

Coordinates	4335222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H97 Cl18 Li6 N12 O48.5 Pu6
Calculated formula	C24 H72 Cl18 Li6 N12 O48.5 Pu6
Title of publication	Plutonium(IV) Cluster with a Hexanuclear [Pu6(OH)4O4]12+ Core
Authors of publication	Karah E. Knope; L. Soderholm
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6770 - 6772
a	22.497 ± 0.002 Å
b	22.497 ± 0.002 Å
c	15.1236 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	6628.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0434
Weighted residual factors for all reflections included in the refinement	0.0454
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4335222.cif
101131	2014-02-10	cif/ Adding structures of 4335222 via cif-deposit CGI script.	4335222.cif