Information card for entry 4079782

Structure parameters

• Formula: C48.5 H45 Cl3 F3 O3 P2 Rh S
• Calculated formula: C48.5 H45 Cl3 F3 O3 P2 Rh S
• 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: 12.2103 ± 0.0005 Å
• b: 23.0846 ± 0.0009 Å
• c: 16.4554 ± 0.0006 Å
• α: 90°
• β: 104.913 ± 0.0018°
• γ: 90°
• Cell volume: 4482 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No