Information card for entry 4134389

Structure parameters

• Formula: C84 H198 Cl3 K3 O26 Pr2 Si10
• Calculated formula: C84 H198 Cl3 K3 O26 Pr2 Si10
• 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: 25.6668 ± 0.0003 Å
• b: 15.04611 ± 0.00014 Å
• c: 33.6749 ± 0.0003 Å
• α: 90°
• β: 95.9196 ± 0.0009°
• γ: 90°
• Cell volume: 12935.4 ± 0.2 ų
• Cell temperature: 139.99 ± 0.1 K
• Ambient diffraction temperature: 139.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No