Information card for entry 4076647

Structure parameters

• Formula: C10 H9 O5 Rh
• Calculated formula: C10 H9 O5 Rh
• SMILES: [Rh]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[c]45C(=O)OCCO
• Title of publication: Coordination Chemistry of Ester-Functionalized Cp Ligands. The Atom-Economy Synthesis of Na[C5H4CO2(CH2)2OH] and Solid State Structures of [Rh{C5H4CO2(CH2)2OH}(CO)2] and [Rh2{μ-(C5H4CO2CH2)2}(NBD)2]
• Authors of publication: Busetto, Luigi; Cassani, M. Cristina; Albano, Vincenzo G.; Sabatino, Piera
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1849
• a: 19.091 ± 0.001 Å
• b: 5.7689 ± 0.0003 Å
• c: 19.414 ± 0.001 Å
• α: 90°
• β: 92.543 ± 0.002°
• γ: 90°
• Cell volume: 2136.04 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No