Crystallography Open Database

Information card for entry 4327399

Preview

Coordinates	4327399.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Me2NN]Cu(2,4-lutidine)
Formula	C28 H34 Cu N3
Calculated formula	C28 H34 Cu N3
SMILES	[Cu]1(N(c2c(cccc2C)C)C(=CC(=[N]1c1c(C)cccc1C)C)C)[n]1c(cc(cc1)C)C
Title of publication	Cu(I) β-Diketiminates for Alkene Aziridination: Reversible CuArene Binding and Catalytic Nitrene Transfer from PhINTs
Authors of publication	Latasha D. Amisial; Xuliang Dai; R. Adam Kinney; Ammani Krishnaswamy; Timothy H. Warren
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6537 - 6539
a	8.8218 ± 0.0013 Å
b	16.323 ± 0.002 Å
c	18.277 ± 0.003 Å
α	90°
β	101.169 ± 0.003°
γ	90°
Cell volume	2582 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327399.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327399.cif
61170	2012-06-25	cif/ Adding structures of 4327399 via cif-deposit CGI script.	4327399.cif