Information card for entry 1570859

Structure parameters

• Formula: C48 H57 Au3 N6 O3
• Calculated formula: C48 H57 Au3 N6 O3
• Title of publication: Molecular imine cages with π-basic Au₃(pyrazolate) faces.
• Authors of publication: Eren, Noga; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 3539 - 3544
• a: 20.0056 ± 0.0004 Å
• b: 29.2892 ± 0.0006 Å
• c: 8.03827 ± 0.00016 Å
• α: 90°
• β: 95.696 ± 0.002°
• γ: 90°
• Cell volume: 4686.75 ± 0.16 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No