Information card for entry 4324401

Structure parameters

• Formula: C10 H13 Au N6
• Calculated formula: C10 H13 Au N6
• SMILES: C1C[NH+]2CCN1CC2.[Au](C#N)(C#N)(C#N)C#N
• Title of publication: Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions
• Authors of publication: Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1265 - 1274
• a: 7.1769 ± 0.0003 Å
• b: 15.5957 ± 0.0005 Å
• c: 12.3167 ± 0.0004 Å
• α: 90°
• β: 104.269 ± 0.002°
• γ: 90°
• Cell volume: 1336.06 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1004
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for all reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No