Crystallography Open Database

Information card for entry 4070471

Preview

Coordinates	4070471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H52 Cu2 N4
Calculated formula	C52 H52 Cu2 N4
SMILES	[Cu]123(N(C(=CC(=[N]1Cc1ccccc1)C)C)Cc1ccccc1)[Cu]14(N(C(=CC(=[N]1Cc1ccccc1)C)C)Cc1ccccc1)[C]2(c1ccccc1)=[C]34c1ccccc1
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	11.317 ± 0.002 Å
b	11.331 ± 0.002 Å
c	36.015 ± 0.007 Å
α	93.52 ± 0.006°
β	98.623 ± 0.006°
γ	105.864 ± 0.005°
Cell volume	4366.7 ± 1.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2164
Residual factor for significantly intense reflections	0.1084
Weighted residual factors for significantly intense reflections	0.2739
Weighted residual factors for all reflections included in the refinement	0.3258
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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.	4070471.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070471.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070471.cif
40730	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070466, 4070467, 4070468, 4070469, 4070470, 4070471 via cif-deposit CGI script.	4070471.cif