Information card for entry 1521290

Structure parameters

• Chemical name: dichlorobistriphenylphosphinruthenium(VI)-mu-carbido-chlorogold(I)
• Formula: C37 H66 Au Cl3 P2 Ru
• Calculated formula: C37 H66 Au Cl3 P2 Ru
• SMILES: [Au](C#[Ru]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)Cl)Cl
• 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: 13.392 ± 0.002 Å
• b: 17.683 ± 0.001 Å
• c: 20.172 ± 0.002 Å
• α: 90 ± 0.009°
• β: 121.735 ± 0.011°
• γ: 90 ± 0.007°
• Cell volume: 4062.7 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No