Information card for entry 4118173

Structure parameters

• Common name: bis(cyclohexylisocyanide)gold(I) hexafluoroarsenate
• Formula: C14 H22 As Au F6 N2
• Calculated formula: C14 H22 As Au F6 N2
• SMILES: [Au](C#[N]C1CCCCC1)C#[N]C1CCCCC1.[As](F)(F)(F)(F)(F)[F-]
• Title of publication: Crystallization and Interconversions of Vapor-Sensitive, Luminescent Polymorphs of [(C6H11NC)2AuI](AsF6) and [(C6H11NC)2AuI](PF6)
• Authors of publication: Mark A. Malwitz; Sang Ho Lim; Rochelle L. White-Morris; David M. Pham; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10885 - 10893
• a: 6.3965 ± 0.0015 Å
• b: 17.194 ± 0.004 Å
• c: 16.729 ± 0.004 Å
• α: 90°
• β: 92.658 ± 0.008°
• γ: 90°
• Cell volume: 1837.9 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0241
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No