Crystallography Open Database

Information card for entry 4075619

Preview

Coordinates	4075619.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(dtbpe)Cu(OAc)
Formula	C20 H43 Cu O2 P2
Calculated formula	C20 H43 Cu O2 P2
SMILES	[Cu]12([P](CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[O]=C(O2)C
Title of publication	Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Bimolecular Formation of Alkanes
Authors of publication	Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Petersen, Jeffrey L.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	17
Pages of publication	4097
a	15.1868 ± 0.0009 Å
b	15.6168 ± 0.0009 Å
c	16.0275 ± 0.001 Å
α	98.396 ± 0.001°
β	98.581 ± 0.001°
γ	99.305 ± 0.001°
Cell volume	3652.4 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0684
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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