Information card for entry 7704432

Structure parameters

• Formula: C79 H110 O6 Sc2
• Calculated formula: C79 H110 O6 Sc2
• Title of publication: Scandium bis(trimethylsilyl)methyl complexes revisited: extending the ⁴⁵Sc NMR chemical shift range and a new structural motif of Li[CH(SiMe₃)₂].
• Authors of publication: Mortis, Alexandros; Barisic, Damir; Eichele, Klaus; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 23
• Pages of publication: 7829 - 7841
• a: 12.3059 ± 0.0009 Å
• b: 13.2573 ± 0.0009 Å
• c: 13.4567 ± 0.001 Å
• α: 117.844 ± 0.002°
• β: 103.659 ± 0.002°
• γ: 101.026 ± 0.002°
• Cell volume: 1766.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No