Information card for entry 1558775

Structure parameters

• Formula: C28 H51 B Cl N P Rh
• Calculated formula: C28 H51 B Cl N P Rh
• SMILES: [Rh]123([C](B(NC(C)(C)C)c4c(cc(cc4C)C)C)([CH]1=[CH]3C)=[CH]2C)(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: 14.74 ± 0.003 Å
• b: 15.319 ± 0.004 Å
• c: 14.833 ± 0.003 Å
• α: 90°
• β: 116.828 ± 0.009°
• γ: 90°
• Cell volume: 2988.8 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No