Information card for entry 1563929

Structure parameters

• Common name: PS009
• Formula: C36 H56 B F4 P4 Rh
• Calculated formula: C36 H56 B F4 P4 Rh
• SMILES: [Rh]12([P]3([C@@H](CC[C@H]3C)C)c3ccccc3[P]31[C@H](C)CC[C@H]3C)[P]1([C@@H](CC[C@H]1C)C)c1c([P]32[C@H](C)CC[C@H]3C)cccc1.[B](F)(F)(F)[F-]
• Title of publication: Oxidative addition of methylene chloride to Me-DuPhos complexes of palladium and rhodium
• Authors of publication: Scheetz, Perry M.; Blank, Natalia F.; Gibbons, Sarah K.; Glueck, David S.; Rheingold, Arnold L.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 111 - 115
• a: 14.7919 ± 0.0015 Å
• b: 15.2317 ± 0.0019 Å
• c: 16.8982 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3807.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No