Crystallography Open Database

Information card for entry 4334894

Preview

Coordinates	4334894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H46 Al32 N4 O146 S10 Zn2
Calculated formula	C74 H46 Al32 N4 O146 S10 Zn2
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	16.733 ± 0.007 Å
b	18.034 ± 0.01 Å
c	21.925 ± 0.011 Å
α	82.821 ± 0.019°
β	70.598 ± 0.017°
γ	65.362 ± 0.018°
Cell volume	5672 ± 5 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	0.0797
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.2234
Weighted residual factors for all reflections included in the refinement	0.2364
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
179451 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/48.	4334894.cif
100778	2014-02-07	cif/ Adding structures of 4334894 via cif-deposit CGI script.	4334894.cif