Crystallography Open Database

Information card for entry 4304256

Preview

Coordinates	4304256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H72 Al2 Cu2 O8
Calculated formula	C32 H72 Al2 Cu2 O8
SMILES	[Al]1(OC(C)(C)C)(OC(C)(C)C)[O](C(C)(C)C)[Cu][O](C(C)(C)C)[Al]([O](C(C)(C)C)[Cu][O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C
Title of publication	Tetraalkoxyaluminates of Nickel(II), Copper(II), and Copper(I)
Authors of publication	Michael Veith; Kroum Valtchev; Volker Huch
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1204 - 1217
a	9.536 ± 0.002 Å
b	10.209 ± 0.002 Å
c	11.387 ± 0.002 Å
α	96.91 ± 0.03°
β	103.95 ± 0.03°
γ	96.4 ± 0.03°
Cell volume	1056.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
179080 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/42.	4304256.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304256.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304256.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.	4304256.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304256.cif