Crystallography Open Database

Information card for entry 7115012

Preview

Coordinates	7115012.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Me2NN]Cu(ethylene) + 0.5 pentane
Formula	C25.5 H35 Cu N2
Calculated formula	C25.5 H35 Cu N2
Title of publication	Dioxygen activation by a neutral β-diketiminato copper(i) ethylene complex
Authors of publication	Dai, Xuliang; Warren, Timothy H.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	19
Pages of publication	1998
a	13.7801 ± 0.0014 Å
b	23.792 ± 0.002 Å
c	14.665 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4808 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7115012.cif
118479	2014-06-30	cif/ Adding structures of 7115012, 7115013, 7115014 via cif-deposit CGI script.	7115012.cif