Crystallography Open Database

Information card for entry 4112134

Preview

Coordinates	4112134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H18 Li2 O2
Calculated formula	C8 H18 Li2 O2
Title of publication	Characterization of a Kinetically Stable, Highly Ordered, Octameric Form of Lithium tert-Butoxide and Its Implications Regarding Aggregate Formation
Authors of publication	John F. Allan; Roger Nassar; Elizabeth Specht; Alicia Beatty; Nathalie Calin; Kenneth W. Henderson
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	484 - 485
a	12.8621 ± 0.0004 Å
b	12.8621 ± 0.0004 Å
c	12.5732 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2080.03 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178892 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/21.	4112134.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112134.cif
64496	2012-08-17	cif/ Adding structures of 4112134 via cif-deposit CGI script.	4112134.cif