Information card for entry 4070551

Structure parameters

• Formula: C35 H57 Fe N2 O Sc Si2
• Calculated formula: C35 H57 Fe N2 O Sc Si2
• SMILES: [Sc](N([Si](C(C)(C)C)(C)C)[c]12[Fe]3456789%10[cH]1[cH]9[cH]8[cH]72)(N([Si](C(C)(C)C)(C)C)[c]13[cH]%10[cH]5[cH]6[cH]41)([O]1CCCC1)Cc1cc(cc(c1)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: 68.24 ± 0.013 Å
• b: 10.606 ± 0.002 Å
• c: 19.858 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14372 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No