Information card for entry 7012126

Structure parameters

• Formula: C15 H21 Au3 Cl4 N6
• Calculated formula: C15 H21 Au3 Cl4 N6
• SMILES: [Au]1(n2c(C)cc(C)[n]2[Au]n2c(C)cc(C)[n]2[Au](Cl)(Cl)n2c(C)cc(C)[n]21)(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: 7.6249 ± 0.0015 Å
• b: 12.505 ± 0.003 Å
• c: 13.495 ± 0.003 Å
• α: 73.88 ± 0.03°
• β: 86.39 ± 0.03°
• γ: 85.21 ± 0.03°
• Cell volume: 1230.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No