Information card for entry 7052731

Structure parameters

• Formula: C21 H22 Fe2 Si
• Calculated formula: C21 H22 Fe2 Si
• SMILES: [SiH](C)([c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Carbosilane based dendritic cores functionalized with interacting ferrocenyl units: synthesis and electrocatalytical properties
• Authors of publication: Losada, José; García-Armada, Pilar; Robles, Víctor; Martínez, Ángel M.; Casado, Carmen M.; Alonso, Beatriz
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2187
• a: 9.8776 ± 0.0003 Å
• b: 12.0035 ± 0.0004 Å
• c: 15.5669 ± 0.0005 Å
• α: 90°
• β: 92.127 ± 0.002°
• γ: 90°
• Cell volume: 1844.43 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No