Information card for entry 7714360

Structure parameters

• Formula: C28 H44 F3 O Rh
• Calculated formula: C28 H44 F3 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: 18.4463 ± 0.0003 Å
• b: 22.9213 ± 0.0004 Å
• c: 25.6566 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10847.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No