Information card for entry 2311351

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 ų
• 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 Fobs: No