Information card for entry 4070554

Structure parameters

• Formula: C29 H59 Al2 Fe N2 Sc Si2
• Calculated formula: C29 H59 Al2 Fe N2 Sc Si2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[N]1([Si](C)(C)C(C)(C)C)[Al]([CH3]2)(C)C)[c]3([cH]5[cH]6[cH]7[cH]83)N([Si](C)(C)C(C)(C)C)[Sc]123[CH3][Al]([CH3]3)(C)C
• Title of publication: Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand
• Authors of publication: Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 363
• a: 13.5032 ± 0.0016 Å
• b: 12.364 ± 0.0015 Å
• c: 21.265 ± 0.003 Å
• α: 90°
• β: 98.435 ± 0.001°
• γ: 90°
• Cell volume: 3511.9 ± 0.8 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: 0.1137
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No