Information card for entry 4324330

Structure parameters

• Formula: C29 H56 Al3 Fe N2 Sc Si2
• Calculated formula: C29 H56 Al3 Fe N2 Sc Si2
• SMILES: [Sc]1234[Fe]56789%10%11%12%13[C]%14%15[N]1([Al]([N]2([Si](C)(C)C(C)(C)C)[C]15=[CH]6[CH]7=[CH]8[C]391[Al](C)(C)C[Al]([C]4%10%14[CH]%13=[CH]%12[CH]%11=%15)(C)C)(C)C)[Si](C)(C)C(C)(C)C
• Title of publication: Transmetalation Reactions of a Scandium Complex Supported by a Ferrocene Diamide Ligand
• Authors of publication: Wenliang Huang; Colin T. Carver; Paula L. Diaconescu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 978 - 984
• a: 15.3292 ± 0.0014 Å
• b: 10.7618 ± 0.001 Å
• c: 21.784 ± 0.002 Å
• α: 90°
• β: 104.223 ± 0.001°
• γ: 90°
• Cell volume: 3483.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No