Information card for entry 1100754

Structure parameters

• Formula: C18 H11 Au N2
• Calculated formula: C18 H11 Au N2
• SMILES: [Au]12(c3ccccc3c3cccc(c4ccccc14)[n]23)C#N
• Title of publication: Supramolecular Recognition Forces: An Examination of Weak Metal-Metal Interactions in Host-Guest Formation
• Authors of publication: James D. Crowley; Ian M. Steele; B. Bosnich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2989 - 2991
• a: 15.917 ± 0.003 Å
• b: 17.412 ± 0.003 Å
• c: 4.9587 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1374.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No