Information card for entry 1521285

Structure parameters

• Formula: C40 H74 Cl6 O P2 Pt Ru S
• Calculated formula: C40 H74 Cl6 O P2 Pt Ru S
• SMILES: [Pt]([S](=O)(C)C)(Cl)(Cl)=C=[Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.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: 10.432 ± 0.0007 Å
• b: 12.713 ± 0.0012 Å
• c: 19.025 ± 0.003 Å
• α: 77.214 ± 0.009°
• β: 80.085 ± 0.005°
• γ: 82.926 ± 0.006°
• Cell volume: 2414.3 ± 0.5 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0142
• Residual factor for significantly intense reflections: 0.0131
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No