Information card for entry 4079781

Structure parameters

• Formula: C61 H45 F3 O3 P3 Rh S
• Calculated formula: C61 H45 F3 O3 P3 Rh S
• SMILES: [Rh]1234([P]5(c6ccccc6[CH]1=[CH]2c1ccccc51)c1ccccc1)([P]1(c2ccccc2[CH]3=[CH]4c2ccccc12)c1ccccc1)[P]1(c2ccccc2C=Cc2ccccc12)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Dibenzo[b,f]phosphepines: Novel Phosphane‒Olefin Ligands for Transition Metals
• Authors of publication: Lyaskovskyy, Volodymyr; van Dijk-Moes, Relinde J. A.; Burck, Sebastian; Dzik, Wojciech I.; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris; de Bruin, Bas; Lammertsma, Koop
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 363
• a: 11.6114 ± 0.0004 Å
• b: 20.7582 ± 0.0008 Å
• c: 22.5567 ± 0.0009 Å
• α: 102.57 ± 0.002°
• β: 97.034 ± 0.002°
• γ: 92.218 ± 0.002°
• Cell volume: 5254.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No