Crystallography Open Database

Information card for entry 4070470

Preview

Coordinates	4070470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 Cu N3
Calculated formula	C28 H30 Cu N3
SMILES	[Cu]1(N(C(=CC(=[N]1Cc1ccccc1)C)C)Cc1ccccc1)C#[N]c1c(cccc1C)C
Title of publication	π Back-Bonding in Dibenzyl-β-diketiminato Copper Olefin Complexes
Authors of publication	Oguadinma, Paul O.; Schaper, Frank
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	23
Pages of publication	6721
a	17.3118 ± 0.0006 Å
b	17.6767 ± 0.0006 Å
c	15.9761 ± 0.0005 Å
α	90°
β	93.694 ± 0.002°
γ	90°
Cell volume	4878.8 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178593 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/04.	4070470.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070470.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070470.cif
40730	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070466, 4070467, 4070468, 4070469, 4070470, 4070471 via cif-deposit CGI script.	4070470.cif