Crystallography Open Database

Information card for entry 4000900

Preview

Coordinates	4000900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 Cu N2 O2
Calculated formula	C16 H28 Cu N2 O2
SMILES	CC1=CC(=[N]([Cu]2(O1)OC(=CC(=[N]2C(C)C)C)C)C(C)C)C
Title of publication	Investigation of AlMe3, BEt3, and ZnEt2as Co-Reagents for Low-Temperature Copper Metal ALD/Pulsed-CVD
Authors of publication	Vidjayacoumar, Balamurugan; Emslie, David J. H.; Clendenning, Scott B.; Blackwell, James M.; Britten, James F.; Rheingold, Arnold
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	17
Pages of publication	4844
a	11.105 ± 0.002 Å
b	9.934 ± 0.002 Å
c	16.338 ± 0.003 Å
α	90°
β	96.17 ± 0.003°
γ	90°
Cell volume	1791.9 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0418
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000900.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000900.cif
36556	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000900 via cif-deposit CGI script.	4000900.cif