Information card for entry 4080235

Structure parameters

• Formula: C51 H42 O2 P2 Pt
• Calculated formula: C51 H42 O2 P2 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[CH](c2ccccc2)=[CH]1C(=O)Oc1ccccc1
• Title of publication: Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes
• Authors of publication: Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1643
• a: 10.2103 ± 0.0009 Å
• b: 17.8507 ± 0.0013 Å
• c: 22.6104 ± 0.0019 Å
• α: 90°
• β: 94.566 ± 0.003°
• γ: 90°
• Cell volume: 4107.9 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No