Information card for entry 4081255

Structure parameters

• Formula: C21 H18 F6 P2
• Calculated formula: C21 H18 F6 P2
• SMILES: C#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[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: 15.5539 ± 0.0003 Å
• b: 12.5279 ± 0.0003 Å
• c: 22.6531 ± 0.0005 Å
• α: 90°
• β: 109.552 ± 0.0011°
• γ: 90°
• Cell volume: 4159.6 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections: 0.2538
• Weighted residual factors for significantly intense reflections: 0.2495
• Weighted residual factors for all reflections included in the refinement: 0.2538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No