Information card for entry 4070550

Structure parameters

• Formula: C51 H84 Fe2 K N4 Sc Si4
• Calculated formula: C51 H84 Fe2 K N4 Sc Si4
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)N([Sc]1(N([Si](C)(C)C(C)(C)C)[c]29[cH]5[cH]6[cH]7[cH]82)N([Si](C)(C)C(C)(C)C)[c]23[cH]4[Fe]56789%102([cH]4[cH]5[cH]36)[cH]2[c]%10(N1[Si](C)(C)C(C)(C)C)[cH]9[cH]8[cH]72)[Si](C)(C)C(C)(C)C.[K+].c1cccc(C)c1
• 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: 13.554 ± 0.003 Å
• b: 19.352 ± 0.004 Å
• c: 20.878 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5476 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No