Crystallography Open Database

Information card for entry 7217224

Preview

Coordinates	7217224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cu N2 O4
Calculated formula	C20 H16 Cu N2 O4
Title of publication	Copper(II) induced oxidative modification and complexation of a Schiff base Ligand: synthesis, crystal structure, catalytic oxidation of aromatic hydrocarbons and DFT calculation
Authors of publication	Mahammad, Ali; Biswas, Surajit; Dutta, Arpan; Debnath, Mainak; Dolai, Malay; Jana, Atisdipankar
Journal of publication	RSC Advances
Year of publication	2014
a	12.616 ± 0.0004 Å
b	23.0976 ± 0.0008 Å
c	7.088 ± 0.0003 Å
α	90°
β	102.372 ± 0.002°
γ	90°
Cell volume	2017.47 ± 0.13 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.108
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.245
Weighted residual factors for all reflections included in the refinement	0.2677
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
180503 (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 7/21/72.	7217224.cif
120874	2014-07-29	cif/ Adding structures of 7217224 via cif-deposit CGI script.	7217224.cif