Crystallography Open Database

Information card for entry 4110963

Preview

Coordinates	4110963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C Al Cl4 Cu O
Calculated formula	C Al Cl4 Cu O
Title of publication	Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene
Authors of publication	Michael D. Capracotta; Roger M. Sullivan; James D. Martin
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	13463 - 13473
a	6.8752 ± 0.0003 Å
b	7.0092 ± 0.0003 Å
c	8.7362 ± 0.0003 Å
α	81.798 ± 0.002°
β	69.646 ± 0.002°
γ	85.723 ± 0.002°
Cell volume	390.53 ± 0.03 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0436
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
178880 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/09.	4110963.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110963.cif
60160	2012-06-14	cif/ Adding structures of 4110963 via cif-deposit CGI script.	4110963.cif