Information card for entry 4134388

Structure parameters

• Formula: C84 H84 K O7 Pr Si4
• Calculated formula: C84 H84 K O7 Pr Si4
• Title of publication: Accessing the +IV Oxidation State in Molecular Complexes of Praseodymium.
• Authors of publication: Willauer, Aurélien R; Palumbo, Chad T.; Fadaei-Tirani, Farzaneh; Zivkovic, Ivica; Douair, Iskander; Maron, Laurent; Mazzanti, Marinella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 12
• Pages of publication: 5538 - 5542
• a: 13.1036 ± 0.0008 Å
• b: 14.9076 ± 0.001 Å
• c: 22.4578 ± 0.0012 Å
• α: 83.344 ± 0.005°
• β: 81.037 ± 0.005°
• γ: 64.588 ± 0.006°
• Cell volume: 3908.2 ± 0.5 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.2981
• Weighted residual factors for all reflections included in the refinement: 0.3102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No