Information card for entry 1558777

Structure parameters

• Formula: C34 H60 B N3 P Rh
• Calculated formula: C34 H60 B N3 P Rh
• SMILES: [Rh]123([CH]([B]2(N1C(C)(C)C)c1c(cc(cc1C)C)C)=[C]3=C)([P](C(C)C)(C(C)C)C(C)C)=C1N(C=CN1C(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: 11.529 ± 0.004 Å
• b: 16.437 ± 0.005 Å
• c: 18.831 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3568.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No