Information card for entry 1540713

Structure parameters

• Formula: C57 H61 B2 F24 P2 Rh
• Calculated formula: C57 H61 B2 F24 P2 Rh
• SMILES: [Rh]12345([P](C6CCCCC6)(C6CCCCC6)[BH2][H]5)([P](C)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies
• Authors of publication: Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• a: 13.155 ± 0.003 Å
• b: 13.139 ± 0.003 Å
• c: 35.677 ± 0.007 Å
• α: 90°
• β: 95.41 ± 0.03°
• γ: 90°
• Cell volume: 6139 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.182
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No