Information card for entry 4081261

Structure parameters

• Formula: C58 H49 Cl3 F6 P4 Pt
• Calculated formula: C58 H49 Cl3 F6 P4 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[C](#[C]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)(Cl)Cl
• Title of publication: η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum
• Authors of publication: Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4766
• a: 10.7392 ± 0.0002 Å
• b: 15.2057 ± 0.0002 Å
• c: 17.1417 ± 0.0002 Å
• α: 81.368 ± 0.0009°
• β: 74.9346 ± 0.0008°
• γ: 82.5148 ± 0.0007°
• Cell volume: 2660.13 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No