Information card for entry 4081257

Structure parameters

• Formula: C22 H22 F6 O P2
• Calculated formula: C22 H22 F6 O P2
• SMILES: C=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC.[P](F)(F)(F)(F)(F)[F-]
• 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: 13.0623 ± 0.0005 Å
• b: 11.7465 ± 0.0005 Å
• c: 14.5543 ± 0.0006 Å
• α: 90°
• β: 98.377 ± 0.002°
• γ: 90°
• Cell volume: 2209.33 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.1494
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No