Information card for entry 1568648

Structure parameters

• Formula: C54 H61 I N2 O P3 Rh
• Calculated formula: C54 H61 I N2 O P3 Rh
• Title of publication: Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PC_ylideN pincer ligand.
• Authors of publication: Lapointe, Sébastien; Duari, Prakash; Gessner, Viktoria H.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3816 - 3825
• a: 11.4287 ± 0.0001 Å
• b: 25.4664 ± 0.0003 Å
• c: 39.3056 ± 0.0007 Å
• α: 90°
• β: 110.858 ± 0.002°
• γ: 90°
• Cell volume: 10690.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0711
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No