Information card for entry 4327450

Structure parameters

• Formula: C34 H35 Au3 N6 O
• Calculated formula: C34 H35 Au3 N6 O
• SMILES: [Au]1[n]2c(c3ccccc3)cc(C)n2[Au]([n]2c(c3ccccc3)cc(C)n2[Au]n2c(cc(C)[n]12)c1ccccc1).C1CCCO1
• Title of publication: Supramolecular Assembly of Trimeric Gold(I) Pyrazolates through Aurophilic Attractions
• Authors of publication: Guang Yang; Raphael G. Raptis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 261 - 263
• a: 7.4154 ± 0.0012 Å
• b: 15.985 ± 0.003 Å
• c: 26.476 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3138.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No