Information card for entry 7050077

Structure parameters

• Formula: C28 H46 Fe Si
• Calculated formula: C28 H46 Fe Si
• SMILES: [Fe]123456789[c]%10([c]2([cH]3[c]4([cH]1%10)C(C)(C)C)C(C)(C)C)[Si]([c]16[c]7([cH]8[c]9([cH]51)C(C)(C)C)C(C)(C)C)(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: 31.0159 ± 0.0002 Å
• b: 9.9066 ± 0.0002 Å
• c: 19.6178 ± 0.0002 Å
• α: 90°
• β: 117.403 ± 0.001°
• γ: 90°
• Cell volume: 5351.43 ± 0.13 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No