Information card for entry 7708385

Structure parameters

• Formula: C66 H73 Au3 N18 Ni2 O13
• Calculated formula: C66 H73.0008 Au3 N18 Ni2 O13
• Title of publication: On the nature of recurrent Au···π motifs in tris(2,2’-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization
• Authors of publication: Priola, Emanuele; Giordana, Alessia; Mazzeo, Paolo Pio; Mahmoudi, Ghodrat; Gomila, Rosa Maria; Zubkov, Fedor Ivanovich; Pokazeev, Kuzma M.; Valchuk, karine S.; Bacchi, Alessia; Zangrando, Ennio; Frontera, Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 16.4529 ± 0.0006 Å
• b: 16.4529 ± 0.0006 Å
• c: 22.4374 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5260 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No