Information card for entry 1540714

Structure parameters

• Formula: C53 H57 B2 F24 P2 Rh
• Calculated formula: C53 H57 B2 F24 P2 Rh
• SMILES: [RhH]12345([P](C(C)(C)C)(C(C)(C)C)[BH]([P](C)(C)C)[H]5)[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(C(F)(F)F)cc(c1)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: 12.494 ± 0.003 Å
• b: 13.356 ± 0.003 Å
• c: 18.152 ± 0.004 Å
• α: 102.66 ± 0.03°
• β: 92.36 ± 0.03°
• γ: 90.85 ± 0.03°
• Cell volume: 2952 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No