Information card for entry 4312319

Structure parameters

• Common name: cyclohexyl isocyanide gold bromide
• Formula: C7 H11 Au Br N
• Calculated formula: C7 H11 Au Br N
• SMILES: [Au](C#[N]C1CCCCC1)Br
• Title of publication: Orange Luminescence and Structural Properties of Three Isostructural Halocyclohexylisonitrilegold(I) Complexes
• Authors of publication: Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch; O. Elbjeirami; Mohammad A. Omary
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6741 - 6748
• a: 6.1467 ± 0.0015 Å
• b: 21.598 ± 0.005 Å
• c: 6.774 ± 0.0015 Å
• α: 90°
• β: 96.756 ± 0.016°
• γ: 90°
• Cell volume: 893 ± 0.4 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No