Crystallography Open Database

Information card for entry 4304257

Preview

Coordinates	4304257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H84 Al2 Cu2 N2 O10
Calculated formula	C42 Al2 Cu2 N2 O10
SMILES	C(C)(C)(C)[O]1[Al]([O]([Cu]21(O[Cu]1([n]3ccccc3)(O2)[O](C(C)(C)C)[Al]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[n]1ccccc1)C(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	10.275 ± 0.002 Å
b	10.668 ± 0.002 Å
c	13.277 ± 0.003 Å
α	75.4 ± 0.03°
β	74.85 ± 0.03°
γ	79.11 ± 0.03°
Cell volume	1347.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1433
Residual factor for significantly intense reflections	0.1208
Weighted residual factors for significantly intense reflections	0.3114
Weighted residual factors for all reflections included in the refinement	0.3193
Goodness-of-fit parameter for all reflections included in the refinement	2.113
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.	4304257.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304257.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304257.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304257.cif