Information card for entry 1521279

Structure parameters

• Formula: C43 H72 Cl7 N P2 Pt Ru
• Calculated formula: C43 H72 Cl7 N P2 Pt Ru
• SMILES: [Pt](Cl)(Cl)([n]1ccccc1)=C=[Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.ClC(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: 9.6223 ± 0.0003 Å
• b: 14.2389 ± 0.0005 Å
• c: 18.6464 ± 0.0007 Å
• α: 85.8029 ± 0.0011°
• β: 78.4958 ± 0.001°
• γ: 76.9593 ± 0.001°
• Cell volume: 2437.81 ± 0.15 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 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: 0.0452
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No