Crystallography Open Database

Information card for entry 7003523

Preview

Coordinates	7003523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 Al4 Br6 O6
Calculated formula	C12 H30 Al4 Br6 O6
SMILES	[Al]123([O](CC)[Al]([O]1CC)(Br)Br)([O](CC)[Al]([O]3CC)(Br)Br)[O](CC)[Al]([O]2CC)(Br)Br
Title of publication	Halogen-containing tetrametallic aluminium alkoxides
Authors of publication	Mitra, Amitabha; Wang, Yuzhong; Parkin, Sean; Atwood, David
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	8
Pages of publication	1037 - 1042
a	14.3134 ± 0.0002 Å
b	11.7178 ± 0.0002 Å
c	17.0046 ± 0.0003 Å
α	90°
β	90.2588 ± 0.0006°
γ	90°
Cell volume	2852.01 ± 0.08 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179739 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/35.	7003523.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003523.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003523.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003523.cif