Crystallography Open Database

Information card for entry 4117761

Preview

Coordinates	4117761.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	penta(2,2,6,6-tetramethyl-3,5-heptanedionate)-lithium(I)- di-manganese(II)
Formula	C55 H95 Li Mn2 O10
Calculated formula	C55 H95 Li Mn2 O10
Title of publication	Volatile Single-Source Molecular Precursor for the Lithium Ion Battery Cathode
Authors of publication	Anantharamulu Navulla; Lan Huynh; Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	5762 - 5765
a	11.59 ± 0.002 Å
b	20.246 ± 0.004 Å
c	27.885 ± 0.006 Å
α	68.834 ± 0.003°
β	84.406 ± 0.004°
γ	80.583 ± 0.003°
Cell volume	6014 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1392
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4117761.cif
74884	2013-03-04	cif/ Adding structures of 4117761 via cif-deposit CGI script.	4117761.cif