Information card for entry 1558763

Structure parameters

• Formula: C31 H48 B Cl Fe N P2 Rh
• Calculated formula: C31 H48 B Cl Fe N P2 Rh
• SMILES: [Rh]1([P](C)(C)C)(Cl)(B(N(C(=C1)[c]12[cH]3[Fe]4567891([cH]([cH]34)[cH]25)[cH]1[cH]9[cH]8[cH]6[cH]71)C(C)(C)C)c1c(C)cc(cc1C)C)[P](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: 11.621 ± 0.003 Å
• b: 38.859 ± 0.007 Å
• c: 14.802 ± 0.004 Å
• α: 90°
• β: 99.837 ± 0.007°
• γ: 90°
• Cell volume: 6586 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0307
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No