Information card for entry 4321409

Structure parameters

• Chemical name: Tetra(n-butyl)ammonium bromo(cyano)cuprate(I)
• Formula: C34 H72 Br2 Cu2 N4
• Calculated formula: C34 H72 Br2 Cu2 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: 17.4956 ± 0.0011 Å
• b: 12.1741 ± 0.0008 Å
• c: 19.2434 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4098.7 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No