Information card for entry 8102020

Structure parameters

• Chemical name: (acetonitrile-N)copper(I) cyanide, Cu(CH3CN)(CN)
• Formula: C3 H3 Cu N2
• Calculated formula: C3 H3 Cu N2
• Title of publication: Crystal structure of (acetonitrile-N)copper(I) cyanide, [Cu(CH~3~CN)] [CN]
• Authors of publication: Keller, H.-L.; Oldag, T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 377 - 378
• a: 8.3985 ± 0.0017 Å
• b: 8.1443 ± 0.0016 Å
• c: 7.8362 ± 0.0016 Å
• α: 90°
• β: 116.56 ± 0.03°
• γ: 90°
• Cell volume: 479.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No