Crystallography Open Database

Information card for entry 2311351

Preview

Coordinates	2311351.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(N-methylethylenediamine)copper(II)-μ-cyano-copper(I)dicyanide
Chemical name	[(<i>N</i>-Methylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~2~-cyanido-κ^2^<i>C</i>:<i>N</i>-[bis(cyanido-κ<i>C</i>)copper(I)] monohydrate
Formula	C9 H22 Cu2 N7 O
Calculated formula	C9 H22 Cu2 N7 O
SMILES	[Cu](C#[N][Cu]12([NH2]CC[NH]1C)[NH2]CC[NH]2C)(C#N)C#N.O
Title of publication	Crystal structures of two mixed-valence copper cyanide complexes with <i>N</i>-methyl-ethylenedi-amine.
Authors of publication	Corfield, Peter W. R.; Sabatino, Alexander
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 2
Pages of publication	141 - 146
a	7.5621 ± 0.0002 Å
b	8.8689 ± 0.0002 Å
c	12.8098 ± 0.0003 Å
α	94.6851 ± 0.0014°
β	101.861 ± 0.0012°
γ	108.378 ± 0.0013°
Cell volume	787.91 ± 0.03 Å³
Cell temperature	300 ± 1 K
Ambient diffraction temperature	300 ± 1 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	0.0224
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245816 (current)	2019-12-25	cif/ Adding structures of 2311350, 2311351 via cif-deposit CGI script.	2311351.cif