Information card for entry 1558759

Structure parameters

• Formula: C43 H69 B2 Cl N2 P Rh
• Calculated formula: C43 H69 B2 Cl N2 P Rh
• SMILES: [N]12([B]3([C]4([Rh]13(Cl)([C]2=4C1C=CB(N(C=1C)C(C)(C)C)c1c(cc(cc1C)C)C)[P](C(C)C)(C(C)C)C(C)C)C)c1c(cc(cc1C)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: 9.269 ± 0.003 Å
• b: 12.103 ± 0.003 Å
• c: 20.168 ± 0.007 Å
• α: 106.938 ± 0.01°
• β: 91.473 ± 0.014°
• γ: 96.9 ± 0.013°
• Cell volume: 2144.3 ± 1.2 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 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: 0.0236
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No