Information card for entry 4080527

Structure parameters

• Formula: C28 H30 Fe2 O8 Rh2
• Calculated formula: C28 H30 Fe2 O8 Rh2
• SMILES: [Rh]12345678([Rh]9%10%11%12%13%14%15([Fe]1([Fe]29([C]4%11=O)(C#[O])(C#[O])C#[O])([C]3%10=O)(C#[O])(C#[O])C#[O])[c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)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: 18.3909 ± 0.0004 Å
• b: 9.6367 ± 0.0002 Å
• c: 16.9976 ± 0.0003 Å
• α: 90°
• β: 90.349 ± 0.002°
• γ: 90°
• Cell volume: 3012.39 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No