Information card for entry 7050075

Structure parameters

• Formula: C28 H48 Si
• Calculated formula: C28 H48 Si
• SMILES: [C@@H]1(C(=CC(=C1)C(C)(C)C)C(C)(C)C)[Si]([C@H]1C(=CC(=C1)C(C)(C)C)C(C)(C)C)(C)C.[C@H]1(C(=CC(=C1)C(C)(C)C)C(C)(C)C)[Si]([C@@H]1C(=CC(=C1)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: 9.1235 ± 0.0001 Å
• b: 16.8059 ± 0.0003 Å
• c: 18.7246 ± 0.0003 Å
• α: 90°
• β: 76.758 ± 0.001°
• γ: 90°
• Cell volume: 2794.68 ± 0.07 ų
• Cell temperature: 176 ± 2 K
• Ambient diffraction temperature: 176 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No