Information card for entry 4076903

Structure parameters

• Formula: C13 H23 B4 Co Fe O3
• Calculated formula: C13 H23 B4 Co Fe O3
• SMILES: [Fe]123456789([Co]%10([BH]1%11[H][BH]12%11[H][BH]124[H][BH]26%10)([H]9)(C#[O])(C#[O])C#[O])[c]1([c]8([c]7([c]5([c]31C)C)C)C)C
• Title of publication: Routes to Compounds Containing M−B Bonds. Reaction of [Cp*FeH2]2with BH3·THF, Yielding the Hydrogen-Richarachno-Ferrapentaborane 1-Cp*FeB4H11(Cp* = η5-C5Me5)
• Authors of publication: Peldo, Melanie A.; Beatty, Alicia M.; Fehlner, Thomas P.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 2821
• a: 9.2109 ± 0.0006 Å
• b: 16.4715 ± 0.0011 Å
• c: 11.7973 ± 0.0008 Å
• α: 90°
• β: 101.217 ± 0.001°
• γ: 90°
• Cell volume: 1755.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No