Information card for entry 7704433

Structure parameters

• Formula: C33 H81 Cl Li O3 Sc Si6
• Calculated formula: C33 H81 Cl Li O3 Sc Si6
• 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: 11.9397 ± 0.0019 Å
• b: 12.83 ± 0.002 Å
• c: 17.909 ± 0.003 Å
• α: 96.181 ± 0.002°
• β: 90.239 ± 0.002°
• γ: 116.57 ± 0.002°
• Cell volume: 2435.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No