Information card for entry 1558756

Structure parameters

• Formula: C28 H47 B Cl N P Rh
• Calculated formula: C28 H47 B Cl N P Rh
• SMILES: [B]12([N]3([Rh]41([P](C(C)C)(C(C)C)C(C)C)(Cl)[C]2(=[C]34C)C#CC)C(C)(C)C)c1c(cc(cc1C)C)C
• Title of publication: Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes
• Authors of publication: Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 17.729 ± 0.007 Å
• b: 9.767 ± 0.004 Å
• c: 19.228 ± 0.008 Å
• α: 90°
• β: 115.848 ± 0.01°
• γ: 90°
• Cell volume: 2996 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0264
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No