Information card for entry 4076648

Structure parameters

• Formula: C28 H28 O4 Rh2
• Calculated formula: C28 H28 O4 Rh2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Rh]1672345[CH]2=[CH]1C1CC2[CH]6=[CH]71)C(=O)OCCOC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Rh]1672345[CH]2=[CH]1C1CC2[CH]6=[CH]71
• 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: 20.133 ± 0.005 Å
• b: 20.139 ± 0.005 Å
• c: 6.002 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2434 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No