Information card for entry 7003086

Structure parameters

• Chemical name: trans-[RhCl(CO){PPh2(CF=CF2)}2]
• Formula: C29 H20 Cl F6 O P2 Rh
• Calculated formula: C29 H20 Cl F6 O P2 Rh
• SMILES: [Rh](Cl)([P](c1ccccc1)(c1ccccc1)C(=C(F)F)F)([P](c1ccccc1)(c1ccccc1)C(=C(F)F)F)C#[O]
• Title of publication: The coordination chemistry of perfluorovinyl substituted phosphine ligands, a crystallographic and spectroscopic study. Co-crystallisation of both cis- and trans-isomers of [PtCl2{PiPr2(CFCF2)}2] within the same unit cell
• Authors of publication: Barnes, Nicholas A.; Brisdon, Alan K.; Brown, F. R. William; Cross, Wendy I.; Herbert, Christopher J.; Pritchard, Robin G.; Sadiq, Ghazala
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 101
• a: 11.688 ± 0.002 Å
• b: 23.638 ± 0.003 Å
• c: 11.873 ± 0.002 Å
• α: 90°
• β: 114.83 ± 0.02°
• γ: 90°
• Cell volume: 2977 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1203
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No