Information card for entry 7701213

Structure parameters

• Formula: C56 H63 B2 F24 N2 O2 P2 Rh
• Calculated formula: C56 H63 B2 F24 N2 O2 P2 Rh
• Title of publication: The role of neutral Rh(PONOP)H, free NMe₂H, boronium and ammonium salts in the dehydrocoupling of dimethylamine-borane using the cationic pincer [Rh(PONOP)(η²-H₂)]⁺ catalyst.
• Authors of publication: Spearing-Ewyn, E Anastasia K; Beattie, Nicholas A.; Colebatch, Annie L.; Martinez-Martinez, Antonio J; Docker, Andrew; Boyd, Timothy M.; Baillie, Gregg; Reed, Rachel; Macgregor, Stuart A.; Weller, Andrew S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14724 - 14736
• a: 12.667 ± 0.0001 Å
• b: 18.7076 ± 0.0002 Å
• c: 26.9666 ± 0.0003 Å
• α: 90°
• β: 94.9435 ± 0.0005°
• γ: 90°
• Cell volume: 6366.48 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0711
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No