Information card for entry 7714361

Structure parameters

• Formula: C38 H66 Cl4 O2 Rh2
• Calculated formula: C38 H66 Cl4 O2 Rh2
• SMILES: [Rh]12345([Cl][Rh]6789(Cl)([Cl]1)[cH]1[c]8([cH]6[c]7([c]91C(C)(C)C)[C@H](OC)C(C)(C)C)C(C)(C)C)(Cl)[c]1([c]5(C(C)(C)C)[cH]4[c]3(C(C)(C)C)[cH]21)[C@@H](OC)C(C)(C)C
• 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: 25.3786 ± 0.001 Å
• b: 14.1588 ± 0.0006 Å
• c: 23.2064 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8338.8 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No