Information card for entry 4080526

Structure parameters

• Formula: C26 H30 B3 Fe2 O6 Rh2
• Calculated formula: C26 H30 B3 Fe2 O6 Rh2
• SMILES: [BH]123[BH]45[Rh]6789%10%111(C(=O)[Fe]13%11([BH]([Rh]3%11%12%1324[c]2([c]3([c]%11([c]%12([c]%132C)C)C)C)C)[Fe]5%101(C#[O])(C#[O])C#[O])(C#[O])C#[O])[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Reactivity of Dirhodium Analogues of Octaborane-12 and Decaborane-14 towards Transition-Metal Moieties
• Authors of publication: Roy, Dipak Kumar; Anju, R. S.; Varghese, Babu; Ghosh, Sundargopal
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1964
• a: 18.612 ± 0.005 Å
• b: 8.905 ± 0.005 Å
• c: 18.083 ± 0.005 Å
• α: 90 ± 0.005°
• β: 96.861 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2976 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0961
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1887
• 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: Yes
• Has Fobs: No