Information card for entry 7128602

Structure parameters

• Common name: [(CpAr)Sc(H)(OBu)]2
• Formula: C69 H95 O Sc
• Calculated formula: C69 H95 O Sc
• Title of publication: Scandium and lanthanum hydride complexes stabilized by super-bulky penta-arylcyclopentadienyl ligands.
• Authors of publication: Wang, Yang; Del Rosal, Iker; Qin, Guorui; Zhao, Lanxiao; Maron, Laurent; Shi, Xianghui; Cheng, Jianhua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 63
• Pages of publication: 7766 - 7769
• a: 16.5086 ± 0.0013 Å
• b: 26.3426 ± 0.0019 Å
• c: 15.7814 ± 0.0012 Å
• α: 90°
• β: 114.871 ± 0.001°
• γ: 90°
• Cell volume: 6226.5 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No