Crystallography Open Database

Information card for entry 2311883

Preview

Coordinates	2311883.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
Formula	C20 H22 Cu N4 O8
Calculated formula	C20 H22 Cu N4 O8
SMILES	C(CC[N]1=Cc2cc(ccc2O[Cu]21Oc1ccc(N(=O)=O)cc1C=[N]2CCCO)N(=O)=O)O
Title of publication	Crystal structure and photoluminescence properties of a new monomeric copper(II) complex: bis(3-{[(3-hydroxypropyl)imino]methyl}-4-nitrophenolato-κ<sup>3</sup>O,N,O')copper(II).
Authors of publication	Kocak, Cagdas; Oylumluoglu, Gorkem; Donmez, Adem; Coban, M. Burak; Erkarslan, Ugur; Aygun, Muhittin; Kara, Hulya
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	414 - 419
a	10.5788 ± 0.0011 Å
b	6.2806 ± 0.0005 Å
c	15.8478 ± 0.0019 Å
α	90°
β	105.272 ± 0.012°
γ	90°
Cell volume	1015.76 ± 0.19 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.0943
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
246152 (current)	2019-12-26	cif/ Adding structures of 2311883 via cif-deposit CGI script.	2311883.cif