Information card for entry 4105318

Structure parameters

• Formula: C26 H29 B Fe2
• Calculated formula: C26 H29 B Fe2
• SMILES: B([c]12[Fe]3456789([cH]([cH]8[cH]19)[cH]23)[cH]1[cH]4[cH]5[cH]6[cH]71)([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)C1CCCCC1
• Title of publication: Ferrocenylhydridoborates: Synthesis, Structural Characterization, and Application to the Preparation of Ferrocenylborane Polymers
• Authors of publication: Matthias Scheibitz; Haiyan Li; Jan Schnorr; Alejandro Sánchez Perucha; Michael Bolte; Hans-Wolfram Lerner; Frieder Jäkle; Matthias Wagner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16319 - 16329
• a: 7.4731 ± 0.0011 Å
• b: 29.742 ± 0.005 Å
• c: 9.3452 ± 0.0018 Å
• α: 90°
• β: 90.12 ± 0.014°
• γ: 90°
• Cell volume: 2077.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1359
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No