Information card for entry 4081259

Structure parameters

• Formula: C57.15 H48.3 Cl0.3 F6 P4 Pt
• Calculated formula: C57.15 H48.3 Cl0.3 F6 P4 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[CH2]=[C]1=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(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: 12.673 ± 0.01 Å
• b: 14.815 ± 0.01 Å
• c: 15.954 ± 0.012 Å
• α: 65.82 ± 0.03°
• β: 75.91 ± 0.03°
• γ: 84.18 ± 0.03°
• Cell volume: 2650 ± 3 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 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: 0.2412
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No