Information card for entry 1100000

Structure parameters

• Formula: C Cu N
• Calculated formula: C3 Cu3 N3
• SMILES: [Cu]C#[N][Cu]C#[N][Cu]
• Title of publication: Synthesis, Thermal and X-Ray Investigations of the High-Temperature Phase of Copper(I) Cyanide
• Authors of publication: Reckeweg, Olaf; Lind, Cora; Simon, Arndt; Salvo, J.
• Journal of publication: Zeitschrift für Naturforschung B
• Year of publication: 2003
• Journal volume: 58
• Journal issue: 1
• Pages of publication: 155 - 158
• a: 6.027318 ± 0.000029 Å
• b: 6.027318 ± 0.000029 Å
• c: 4.82861 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 151.92 ų
• Sample thermal history: annealed at 330 C
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Goodness-of-fit parameter for all reflections: 1519.54
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: Kα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No