Information card for entry 7704431

Structure parameters

• Formula: C48 H120 Li2 O4 Sc2 Si8
• Calculated formula: C48 H120 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: 13.3428 ± 0.0003 Å
• b: 17.6787 ± 0.0004 Å
• c: 18.805 ± 0.0004 Å
• α: 90°
• β: 125.571 ± 0.001°
• γ: 90°
• Cell volume: 3608.05 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No