Information card for entry 4070555

Structure parameters

• Formula: C31 H57 Fe N2 O2 Sc Si2
• Calculated formula: C31 H57 Fe N2 O2 Sc Si2
• SMILES: [Sc](N([Si](C(C)(C)C)(C)C)[c]1([Fe]23456789%10)[cH]2[cH]%10[cH]8[cH]61)(N([Si](C(C)(C)C)(C)C)[c]24[cH]5[cH]9[cH]7[cH]32)(C)([O]1CCCC1)[O]1CCCC1
• 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: 16.0645 ± 0.0015 Å
• b: 10.2243 ± 0.001 Å
• c: 21.086 ± 0.002 Å
• α: 90°
• β: 104.469 ± 0.001°
• γ: 90°
• Cell volume: 3353.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No