Crystallography Open Database

Information card for entry 7011341

Preview

Coordinates	7011341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H140 K6 Li8 N12 O15
Calculated formula	C60.06 H120 K6 Li8 N12 O15
Title of publication	New homo- and hetero-alkali metal alkoxide cages; crystal structures of [Me2N(CH2)2OLi]8 and [{Me2N(CH2)2O}12Li8K6]O
Authors of publication	Philip C. Andrews; Jonathan G. MacLellan; Robert E. Mulvey; Peter J. Nichols
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	8
Pages of publication	1651 - 1655
a	14.895 ± 0.002 Å
b	14.895 ± 0.002 Å
c	36.505 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	7014 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1899
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.2358
Weighted residual factors for all reflections included in the refinement	0.3012
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011341.cif
179817	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/13.	7011341.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011341.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011341.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011341.cif