Information card for entry 1558751

Structure parameters

• Formula: C25 H45 B Cl N P Rh
• Calculated formula: C25 H45 B Cl N P Rh
• SMILES: [C]12([N]3([B]4([CH]=2[Rh]134([P](C(C)C)(C(C)C)C(C)C)Cl)c1c(cc(cc1C)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: 7.2623 ± 0.0005 Å
• b: 8.3682 ± 0.0006 Å
• c: 23.6179 ± 0.0017 Å
• α: 81.735 ± 0.002°
• β: 87.228 ± 0.002°
• γ: 72.334 ± 0.002°
• Cell volume: 1353.41 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No