Information card for entry 1521284

Structure parameters

• Formula: C46 H80 Cl5 P2 Rh Ru
• Calculated formula: C46 H80 Cl5 P2 Rh Ru
• SMILES: [Rh]123(Cl)(=C=[Ru](Cl)(Cl)([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[CH]4=[CH]1CC[CH]2=[CH]3CC4.ClCCl
• Title of publication: Carbide complexes as π-acceptor ligands
• Authors of publication: Reinholdt, Anders; Vibenholt, Johan E.; Morsing, Thorbjørn J.; Schau-Magnussen, Magnus; Reeler, Nini E. A.; Bendix, Jesper
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5815
• a: 10.935 ± 0.0012 Å
• b: 12.995 ± 0.0005 Å
• c: 18.693 ± 0.003 Å
• α: 78.174 ± 0.004°
• β: 75.183 ± 0.012°
• γ: 75.241 ± 0.008°
• Cell volume: 2455.3 ± 0.5 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No