Information card for entry 4321408

Structure parameters

• Chemical name: Tetra(n-butyl)ammonium iodo(cyano)cuprate(I)
• Formula: C34 H72 Cu2 I2 N4
• Calculated formula: C34 H72 Cu2 I2 N4
• Title of publication: Crystal Structures and Vibrational Spectroscopy of [NBu4][Cu(CN)X] (X = Br, I) and [NBu4][Cu3(CN)4].CH3CN
• Authors of publication: Graham A. Bowmaker; Hans Hartl; Victoria Urban
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4548 - 4554
• a: 21.683 ± 0.002 Å
• b: 12.233 ± 0.002 Å
• c: 17.632 ± 0.003 Å
• α: 90°
• β: 111.71 ± 0.01°
• γ: 90°
• Cell volume: 4345.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No