Information card for entry 1521280

Structure parameters

• Formula: C73 H96 Cl5 N P4 Pd Ru
• Calculated formula: C73 H96 Cl5 N P4 Pd Ru
• SMILES: [Pd](Cl)(Cl)(Cl)C#[Ru](Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.5671 ± 0.0014 Å
• b: 13.5147 ± 0.0013 Å
• c: 24.091 ± 0.003 Å
• α: 76.202 ± 0.004°
• β: 88.744 ± 0.004°
• γ: 72.724 ± 0.004°
• Cell volume: 3487.5 ± 0.7 ų
• Cell temperature: 122.4 K
• Ambient diffraction temperature: 122.4 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No