Information card for entry 1558778

Structure parameters

• Formula: C28 H51 B Cl N P Rh
• Calculated formula: C28 H51 B Cl N P Rh
• SMILES: [Rh]123([CH2]=[CH]1[C]3(B(NC(C)(C)C)c1c(cc(cc1C)C)C)=[CH]2CC)(Cl)[P](C(C)C)(C(C)C)C(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: 21.577 ± 0.005 Å
• b: 8.0109 ± 0.0019 Å
• c: 34.845 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6023 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No