Crystallography Open Database

Information card for entry 2311450

Preview

Coordinates	2311450.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichlorido[<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-(pyridin-2-ylmethylidene)ethane-1,2-diamine]copper(II) monohydrate
Formula	C10 H17 Cl2 Cu N3 O
Calculated formula	C10 H17 Cl2 Cu N3 O
SMILES	[Cu]12(Cl)(Cl)[N](CC[N]1=Cc1[n]2cccc1)(C)C.O
Title of publication	<i>N</i>,<i>N</i>',<i>N</i>'' <i>versus N</i>,<i>N</i>',<i>O</i> imine-containing coordination motifs: ligand-directed synthesis of mononuclear and binuclear Cu<sup>II</sup> compounds.
Authors of publication	Ferraz de Paiva, Raphael Enoque; Nakahata, Douglas Hideki; de Carvalho, Marcos Alberto; Rodrigues Goulart Bergamini, Fernando; Corbi, Pedro Paulo
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	1563 - 1567
a	6.9667 ± 0.0005 Å
b	24.735 ± 0.002 Å
c	7.9294 ± 0.0006 Å
α	90°
β	103.693 ± 0.004°
γ	90°
Cell volume	1327.57 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245893 (current)	2019-12-25	cif/ Adding structures of 2311449, 2311450 via cif-deposit CGI script.	2311450.cif