Crystallography Open Database

Information card for entry 4334893

Preview

Coordinates	4334893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H34 Al32 Cl4 N2 O132.5 S10
Calculated formula	C48 H34 Al32 Cl4 N2 O132.5 S10
Title of publication	Surface Modification of Al30 Keggin-Type Polyaluminum Molecular Clusters
Authors of publication	Samangi Abeysinghe; Daniel K. Unruh; Tori Z. Forbes
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5991 - 5999
a	13.952 ± 0.002 Å
b	16.319 ± 0.003 Å
c	23.056 ± 0.004 Å
α	93.312 ± 0.006°
β	105.266 ± 0.006°
γ	106.516 ± 0.006°
Cell volume	4805.1 ± 1.4 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2813
Weighted residual factors for all reflections included in the refinement	0.3022
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4334893.cif
100777	2014-02-07	cif/ Adding structures of 4334893 via cif-deposit CGI script.	4334893.cif