Information card for entry 7012124

Structure parameters

• Formula: C16 H20 Au3 Cl9 N6
• Calculated formula: C16 H20 Au3 Cl9 N6
• SMILES: [Au]1([n]2c(C)c(Cl)c(C)n2[Au]([n]2c(C)c(Cl)c(C)n2[Au][n]2c(C)c(c(C)n21)Cl)(Cl)Cl)(Cl)Cl.C(Cl)Cl
• Title of publication: Oxidation of gold(i) pyrazolates by aqua regia. X-Ray crystal structures of the first examples of trinuclear AuIII3 and AuIAuIII2 pyrazolato complexes
• Authors of publication: Yang, Guang; Raptis, Raphael G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 3936
• a: 7.76 ± 0.0016 Å
• b: 29.27 ± 0.006 Å
• c: 13.51 ± 0.003 Å
• α: 90°
• β: 98 ± 0.03°
• γ: 90°
• Cell volume: 3038.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No