Crystallography Open Database

Information card for entry 7218878

Preview

Coordinates	7218878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 Cu N2 O2
Calculated formula	C23 H28 Cu N2 O2
SMILES	[Cu]12([O]=C(O1)C)[N](c1c(cccc1C)C)=C(C)C=C(N2c1c(C)cccc1C)C
Title of publication	C-nitrosation of a -diketiminate ligand in copper(II) complex
Authors of publication	Mondal, Biplab; Kalita, Aswini; Kumar, Vikash
Journal of publication	RSC Adv.
Year of publication	2014
a	7.0615 ± 0.0003 Å
b	12.4388 ± 0.0006 Å
c	13.4851 ± 0.0008 Å
α	70.511 ± 0.005°
β	83.469 ± 0.004°
γ	76.344 ± 0.004°
Cell volume	1084.26 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0478
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218878.cif
127811	2014-11-22	cif/ Adding structures of 7218878, 7218879, 7218880 via cif-deposit CGI script.	7218878.cif