Information card for entry 7128443

Structure parameters

• Common name: [(Cp*)Sc(OMe)]3(CH)
• Formula: C34 H55 O3 Sc3
• Calculated formula: C34 H55 O3 Sc3
• SMILES: C12[Sc]34567([c]8([c]6([c]5([c]4([c]38C)C)C)C)C)[O](C)[Sc]34561([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)[O](C)[Sc]13452([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)[O]7C
• 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: 8.4677 ± 0.0005 Å
• b: 11.4252 ± 0.0006 Å
• c: 18.6662 ± 0.0009 Å
• α: 90.449 ± 0.002°
• β: 90.296 ± 0.002°
• γ: 100.656 ± 0.002°
• Cell volume: 1774.63 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No