Information card for entry 4070549

Structure parameters

• Formula: C52 H91 Fe2 K N4 O2 Sc Si4
• Calculated formula: C52 H91 Fe2 K N4 O2 Sc Si4
• SMILES: [Fe]123456789[cH]%10[cH]1[cH]2[cH]3[c]4%10N([Sc]1(N([Si](C)(C)C(C)(C)C)[c]29[cH]8[cH]7[cH]6[cH]52)N([Si](C)(C)C(C)(C)C)[c]23[cH]4[Fe]56789%102([cH]2[c]8(N1[Si](C)(C)C(C)(C)C)[cH]7[cH]6[cH]52)[cH]3[cH]9[cH]4%10)[Si](C)(C)C(C)(C)C.[K]([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: 13.5186 ± 0.0013 Å
• b: 19.2906 ± 0.0019 Å
• c: 22.476 ± 0.002 Å
• α: 90°
• β: 99.559 ± 0.001°
• γ: 90°
• Cell volume: 5780 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No