Information card for entry 7002323

Structure parameters

• Formula: C22 H50 Cl2 P2 Rh2
• Calculated formula: C22 H50 Cl2 P2 Rh2
• SMILES: C(C)(C)[P](C(C)C)(C(C)C)[Rh]12([CH2]=[CH2]1)[Cl][Rh]1([P](C(C)C)(C(C)C)C(C)C)([CH2]=[CH2]1)[Cl]2
• Title of publication: Synthesis and X-ray characterization of [RhCl(C2H4)(PiPr3)]2. Multinuclear NMR and DFT investigation of its solid-state and solution reaction with dihydrogen. Ethene and propene hydrogenation by the solid Rh-hydrides
• Authors of publication: Angelini, Antonella; Aresta, Michele; Dibenedetto, Angela; Pastore, Carlo; Quaranta, Eugenio; Chierotti, Michele R.; Gobetto, Roberto; Pápai, Imre; Graiff, Claudia; Tiripicchio, Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 38
• Pages of publication: 7924 - 7933
• a: 11.516 ± 0.004 Å
• b: 14.503 ± 0.004 Å
• c: 16.634 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2778.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No