Crystallography Open Database

Information card for entry 4310137

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Coordinates	4310137.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(IPr)Cu(OEt)
Formula	C29 H41 Cu N2 O
Calculated formula	C29 H41 Cu N2 O
SMILES	[Cu](OCC)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Cleavage of X-H Bonds (X = N, O, or C) by Copper(I) Alkyl Complexes To Form Monomeric Two-Coordinate Copper(I) Systems
Authors of publication	Laurel A. Goj; Elizabeth D. Blue; Colleen Munro-Leighton; T. Brent Gunnoe; Jeffrey L. Petersen
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8647 - 8649
a	12.8794 ± 0.0011 Å
b	16.8766 ± 0.0014 Å
c	14.7796 ± 0.0012 Å
α	90°
β	114.442 ± 0.002°
γ	90°
Cell volume	2924.6 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1804
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1585
Weighted residual factors for all reflections included in the refinement	0.2072
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
179140 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/01.	4310137.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310137.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310137.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310137.cif