Information card for entry 7128441

Structure parameters

• Common name: [(Cp*)ScMe2]2
• Formula: C24 H42 Sc2
• Calculated formula: C24 H42 Sc2
• SMILES: [CH3]1[Sc]2345([CH3][Sc]67891(C)[c]1([c]9([c]6([c]7([c]81C)C)C)C)C)(C)[c]1([c]2([c]5([c]4([c]31C)C)C)C)C
• Title of publication: Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.
• Authors of publication: Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 52
• Pages of publication: 6436 - 6439
• a: 11.302 ± 0.003 Å
• b: 13.079 ± 0.004 Å
• c: 17.093 ± 0.005 Å
• α: 90°
• β: 103.306 ± 0.005°
• γ: 90°
• Cell volume: 2458.8 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No