Information card for entry 4077385

Structure parameters

• Formula: C60 H48 Au3 Cl2 F15 Fe O P2 Se
• Calculated formula: C60 H47 Au3 Cl2 F15 Fe O P2 Se
• Title of publication: Mixed Gold(I)−Gold(III) Complexes with Bridging Selenido Ligands. Theoretical Studies of the Gold(I)−Gold(III) Interactions
• Authors of publication: Canales, Silvia; Crespo, Olga; Gimeno, M. Concepción; Jones, Peter G.; Laguna, Antonio; Mendizabal, Fernando
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 23
• Pages of publication: 4812
• a: 12.344 ± 0.002 Å
• b: 17.362 ± 0.002 Å
• c: 17.889 ± 0.003 Å
• α: 97.78 ± 0.01°
• β: 108.15 ± 0.01°
• γ: 109.65 ± 0.01°
• Cell volume: 3305.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No