Information card for entry 4113398

Structure parameters

• Common name: bis(methyl isocyanide) gold PF6
• Formula: C4 H6 Au F6 N2 P
• Calculated formula: C4 H6 Au F6 N2 P
• SMILES: [Au](C#[N]C)C#[N]C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence
• Authors of publication: Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 1033 - 1040
• a: 9.8097 ± 0.0007 Å
• b: 9.8097 ± 0.0007 Å
• c: 9.8097 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 943.99 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No