Information card for entry 7012123

Structure parameters

• Formula: C15 H18 Au3 Cl9 N6
• Calculated formula: C15 H18 Au3 Cl9 N6
• SMILES: Cc1c(c(C)[n]2n1[Au](Cl)(n1c(c(c(C)[n]1[Au](n1c(C)c(c(C)[n]1[Au]2(Cl)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: 14.587 ± 0.002 Å
• b: 13.334 ± 0.0019 Å
• c: 14.971 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2911.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No