Information card for entry 2209854

Structure parameters

• Chemical name: Bis(pentamethylcyclopentadienyl)[(trimethylsilyl)methyl]scandium(III)
• Formula: C24 H41 Sc Si
• Calculated formula: C24 H41 Sc Si
• SMILES: [c]12(C)[c]3(C)[c]4([c]5(C)[c]1(C)[Sc]16782345([c]2(C)[c]1(C)[c]6([c]7(C)[c]82C)C)C[Si](C)(C)C)C
• Title of publication: Bis(pentamethylcyclopentadienyl)[(trimethylsilyl)methyl]scandium(III)
• Authors of publication: Minasian, Stefan G.; Rinehart, Jeffrey D.; Patrick Bazinet; Seitz, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1823 - m1824
• a: 14.7186 ± 0.0015 Å
• b: 11.1667 ± 0.0011 Å
• c: 15.2229 ± 0.0015 Å
• α: 90°
• β: 106.493 ± 0.001°
• γ: 90°
• Cell volume: 2399.1 ± 0.4 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes