Information card for entry 4320098

Structure parameters

• Formula: C46 H39 Cl4 N2 O6 P2 Rh2
• Calculated formula: C46 H39 Cl4 N2 O6 P2 Rh2
• SMILES: [Rh]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5[Rh]1(N1C(=[O]3)CCC1=O)([P](c1ccccc41)(c1ccccc1)c1ccccc1)([O]=C1CCC(=O)N21)[OH2])[OH2].ClCCl.C(Cl)Cl
• Title of publication: New Dinuclear Catalysts Rh2(N-O)2[(C6H4)P(C6H5)2]2 with Imidate Ligands: Synthesis and Isomerization from Head-to-Tail to Head-to-Head Configuration of the Imidate Ligands
• Authors of publication: Mario Barberis; Francisco Estevan; Pascual Lahuerta; Julia Pérez-Prieto; Mercedes Sanaú
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4226 - 4229
• a: 10.0387 ± 0.0008 Å
• b: 24.741 ± 0.002 Å
• c: 19.208 ± 0.0017 Å
• α: 90°
• β: 92.93 ± 0.002°
• γ: 90°
• Cell volume: 4764.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1693
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No