Information card for entry 7704429

Structure parameters

• Formula: C44 H108 Cl4 Li2 O4 Sc2 Si8
• Calculated formula: C44 H108 Cl4 Li2 O4 Sc2 Si8
• 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: 11.7206 ± 0.0006 Å
• b: 15.8089 ± 0.0009 Å
• c: 19.1136 ± 0.001 Å
• α: 84.989 ± 0.003°
• β: 89.272 ± 0.003°
• γ: 79.97 ± 0.003°
• Cell volume: 3474.1 ± 0.3 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: 0.0874
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No