Information card for entry 1558757

Structure parameters

• Formula: C31 H46 B Cl F3 N P Rh
• Calculated formula: C31 H46 B Cl F3 N P Rh
• SMILES: [Rh]123([C]4([N]1([B]2(c1c(cc(cc1C)C)C)[CH]3=4)C(C)(C)C)c1ccc(cc1)C(F)(F)F)([P](C(C)C)(C(C)C)C(C)C)Cl
• 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: 14.758 ± 0.004 Å
• b: 11.7829 ± 0.0018 Å
• c: 19.206 ± 0.007 Å
• α: 90°
• β: 107.324 ± 0.009°
• γ: 90°
• Cell volume: 3188.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0226
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No