Crystallography Open Database

Information card for entry 7203674

7203673 << 7203674 >> 7203675

Preview

Coordinates	7203674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H62 Al3 F O9 S
Calculated formula	C26 H62 Al3 F O9 S
SMILES	[Al]12([O](C(C)C)[Al]([O]1C(C)C)(OC(C)C)OC(C)C)([O](C(C)C)[Al]([O]2C(C)C)(OC(C)C)OC(C)C)([O]=S(C)C)F
Title of publication	Non-aqueous synthesis of high surface area aluminium fluoride-a mechanistic investigation
Authors of publication	Stephan K. Ruediger; Udo Groß; Michael Feist; Hillary A. Prescott; S. Chandra Shekar; Sergey I. Troyanov; Erhard Kemnitz
Journal of publication	Journal of Materials Chemistry
Year of publication	2005
Journal volume	15
Journal issue	5
Pages of publication	588
a	11.923 ± 0.002 Å
b	12.551 ± 0.002 Å
c	25.711 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3847.5 ± 1.2 Å³
Cell temperature	175 ± 2 K
Ambient diffraction temperature	175 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	0.795
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
180367 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/36.	7203674.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203674.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203674.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7203674.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203674.cif