Information card for entry 4313612

Structure parameters

• Common name: cyclohexyl isocyanide gold cyanide
• Formula: C8 H11 Au N2
• Calculated formula: C8 H11 Au N2
• SMILES: [Au](C#[N]C1CCCCC1)C#N
• Title of publication: New Structural Motifs in the Aggregation of Neutral Gold(I) Complexes: Structures and Luminescence from (Alkyl isocyanide)AuCN
• Authors of publication: Rochelle L. White-Morris; Matthias Stender; Dino S. Tinti; Alan L. Balch; Daniel Rios; Saeed Attar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3237 - 3244
• a: 6.169 ± 0.007 Å
• b: 6.681 ± 0.007 Å
• c: 22.27 ± 0.02 Å
• α: 90°
• β: 93.65 ± 0.03°
• γ: 90°
• Cell volume: 916 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0836
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No