Information card for entry 7050076

Structure parameters

• Formula: C24 H46 Fe Si5
• Calculated formula: C24 H46 Fe Si5
• SMILES: [Fe]123456789[c]%10([cH]3[c]2([Si](C)(C)C)[c]1([cH]5%10)[Si](C)(C)C)[Si]([c]19[cH]8[c]7([Si](C)(C)C)[c]6([Si](C)(C)C)[cH]41)(C)C
• Title of publication: Coordination complexes of bivalent ansa-ytterbocenes: synthesis, structure and comparison with related unbridged ytterbocenes and ansa-ferrocenes
• Authors of publication: Schultz, Madeleine; Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 919
• a: 15.5073 ± 0.0002 Å
• b: 12.0673 ± 0.0001 Å
• c: 32.6681 ± 0.0001 Å
• α: 90°
• β: 96.81 ± 0.001°
• γ: 90°
• Cell volume: 6070.09 ± 0.1 ų
• Cell temperature: 159 ± 2 K
• Ambient diffraction temperature: 159 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No