Crystallography Open Database

Information card for entry 7115200

Preview

Coordinates	7115200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 K4 Li4 O8
Calculated formula	C32 H72 K4 Li4 O8
Title of publication	A novel heterometallic alkoxide: lithium‒potassium tert-butoxide [(ButO)8Li4K4]
Authors of publication	Clegg, William; Liddle, Stephen T.; Drummond, Allison M.; Mulvey, Robert E.; Robertson, Alan
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	16
Pages of publication	1569
a	11.5194 ± 0.0006 Å
b	17.1506 ± 0.001 Å
c	13.0058 ± 0.0007 Å
α	90°
β	110.166 ± 0.002°
γ	90°
Cell volume	2412 ± 0.2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180266 (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 7/11/52.	7115200.cif
120135	2014-07-12	cif/ Adding structures of 7115200 via cif-deposit CGI script.	7115200.cif