Information card for entry 1558752

Structure parameters

• Formula: C28 H51 B Cl N P Rh
• Calculated formula: C28 H51 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]34CC)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: 13.155 ± 0.004 Å
• b: 13.567 ± 0.004 Å
• c: 17.3 ± 0.005 Å
• α: 90°
• β: 95.737 ± 0.013°
• γ: 90°
• Cell volume: 3072.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No