Information card for entry 7715413

Structure parameters

• Formula: C70 H77 O7 Pr Si3
• Calculated formula: C70 H77 O7 Pr Si3
• SMILES: [Pr](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: A tetravalent praseodymium complex with field-induced slow magnetic relaxation.
• Authors of publication: Xue, Tianjiao; Ding, You-Song; Zheng, Zhiping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5779 - 5783
• a: 14.6493 ± 0.0005 Å
• b: 16.2996 ± 0.0005 Å
• c: 14.677 ± 0.0005 Å
• α: 90°
• β: 115.084 ± 0.0013°
• γ: 90°
• Cell volume: 3174.02 ± 0.18 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No