Information card for entry 7701212

Structure parameters

• Formula: C21 H40 N O2 P2 Rh
• Calculated formula: C21 H40 N 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: 9.2325 ± 0.0002 Å
• b: 26.6707 ± 0.0004 Å
• c: 33.1426 ± 0.0006 Å
• α: 68.569 ± 0.002°
• β: 89.805 ± 0.002°
• γ: 88.221 ± 0.001°
• Cell volume: 7592.7 ± 0.3 ų
• Cell temperature: 150.01 ± 0.15 K
• Ambient diffraction temperature: 150.01 ± 0.15 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: 0.0736
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No