Information card for entry 1558764

Structure parameters

• Formula: C33 H55 B2 Cl N O2 P2 Rh
• Calculated formula: C33 H55 B2 Cl N O2 P2 Rh
• SMILES: [Rh]1([P](C)(C)C)(Cl)(B(N(C(=C1B1OC(C)(C(O1)(C)C)C)c1ccccc1)C(C)(C)C)c1c(cc(cc1C)C)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: 9.831 ± 0.006 Å
• b: 19.14 ± 0.009 Å
• c: 19.599 ± 0.01 Å
• α: 90°
• β: 101.13 ± 0.03°
• γ: 90°
• Cell volume: 3618 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No