Information card for entry 1558765

Structure parameters

• Formula: C22 H42 B Cl N P2 Rh
• Calculated formula: C22 H42 B Cl N P2 Rh
• SMILES: [Rh]1([P](C)(C)C)(B(N(C(=C1)C)C(C)(C)C)c1c(cc(cc1C)C)C)([P](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: 10.096 ± 0.003 Å
• b: 18.272 ± 0.009 Å
• c: 28.341 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5228 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No