Information card for entry 4330753

Structure parameters

• Formula: C22 H24 Fe2 Si
• Calculated formula: C22 H24 Fe2 Si
• SMILES: C[Si](C)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12
• Title of publication: [1.1]Ferrocenophanes and Bis(ferrocenyl) Species with Aluminum and Gallium as Bridging Elements: Synthesis, Characterization, and Electrochemical Studies
• Authors of publication: Bidraha Bagh; Nora C. Breit; Klaus Harms; Gabriele Schatte; Ian J. Burgess; Holger Braunschweig; Jens Müller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11155 - 11167
• a: 8.0197 ± 0.0003 Å
• b: 22.8843 ± 0.0006 Å
• c: 10.1397 ± 0.0004 Å
• α: 90°
• β: 90.662 ± 0.003°
• γ: 90°
• Cell volume: 1860.77 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No