Information card for entry 4128278

Structure parameters

• Formula: C48 H108 K O16 Si4 Tb
• Calculated formula: C48 H108 K O16 Si4 Tb
• SMILES: [Tb](O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si]([O]([K]12345)C(C)(C)C)([O]2C(C)(C)C)OC(C)(C)C)(O[Si]([O]3C(C)(C)C)([O]1C(C)(C)C)OC(C)(C)C)O[Si]([O]4C(C)(C)C)([O]5C(C)(C)C)OC(C)(C)C
• Title of publication: Molecular Complex of Tb in the +4 Oxidation State.
• Authors of publication: Palumbo, Chad T.; Zivkovic, Ivica; Scopelliti, Rosario; Mazzanti, Marinella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 25
• Pages of publication: 9827 - 9831
• a: 12.94476 ± 0.00013 Å
• b: 20.0897 ± 0.0002 Å
• c: 26.0868 ± 0.0003 Å
• α: 91.2399 ± 0.001°
• β: 94.7326 ± 0.0009°
• γ: 91.1183 ± 0.0009°
• Cell volume: 6757.78 ± 0.12 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 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: 0.059
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No