Crystallography Open Database

Information card for entry 7010959

Preview

Coordinates	7010959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H164 Al8 O22
Calculated formula	C72 H164 Al8 O22
Title of publication	New polynuclear aluminium oxoalkoxides. Crystal structures of [Al5(μ5-O)(μ-OBui)8(OBui)5] and [Al8(μ4-O)2(μ-OH)2(μ-OBui)10(OBui)8]
Authors of publication	Isaac Abrahams; Donald C. Bradley; Halina Chudzynska; Majid Motevalli; Robin A. Sinclair
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	2
Pages of publication	259 - 266
a	29.282 ± 0.005 Å
b	19.276 ± 0.008 Å
c	18.192 ± 0.004 Å
α	90°
β	99.81 ± 0.03°
γ	90°
Cell volume	10118 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1997
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	0.948
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 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.	7010959.cif
179813	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 7/01/09.	7010959.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010959.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010959.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010959.cif