Information card for entry 7714356

Structure parameters

• Formula: C21 H31 Br2 F6 O Rh
• Calculated formula: C21 H31 Br2 F6 O Rh
• Title of publication: Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates
• Authors of publication: Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.4548 ± 0.0007 Å
• b: 15.301 ± 0.001 Å
• c: 28.4594 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4988.1 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0865
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No