Information card for entry 1558758

Structure parameters

• Formula: C32 H52 B Cl N2 P Rh
• Calculated formula: C32 H52 B Cl N2 P Rh
• SMILES: [Rh]123(Cl)([P](C(C)C)(C(C)C)C(C)C)[CH]4[B]2([N]1([C]3=4c1ccc(N(C)C)cc1)C(C)(C)C)c1c(cc(cc1C)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: 8.3899 ± 0.0014 Å
• b: 20.844 ± 0.004 Å
• c: 19.12 ± 0.003 Å
• α: 90°
• β: 93.632 ± 0.011°
• γ: 90°
• Cell volume: 3337 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No