Information card for entry 1552037

Structure parameters

• Formula: C39 H37 F6 O6 P Rh2 S2 Si2
• Calculated formula: C39 H37 F6 O6 P Rh2 S2 Si2
• SMILES: [Rh]123456[Rh]78([P](c9ccccc9)(C9c%10c([C]8(=[C]7([C]4#[C]3[Si](C)(C)C)c3ccccc93)[C]5#[C]6[Si](C)(C)C)cccc%10)c3ccccc3)(OS(=O)(=[O]2)C(F)(F)F)[O]=S(=O)(O1)C(F)(F)F
• Title of publication: Low-valent Homobimetallic Rh Complexes: Influence of Ligands on the Structure and the Intramolecular Reactivity of Rh–H Intermediates
• Authors of publication: Jurt, Pascal; Salnikov, Oleg; Gianetti, Thomas L.; Chukanov, Nikita; Baker, Matthew G.; Le Corre, Grégoire; Borger, Jaap E.; Verel, René; Gauthier, Sébastien; Fuhr, Olaf; Kovtunov, Kirill V.; Fedorov, Alexey; Fenske, Dieter; Koptyug, Igor V.; Grützmacher, Hansjörg
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.5393 ± 0.0003 Å
• b: 13.589 ± 0.0004 Å
• c: 15.1402 ± 0.0004 Å
• α: 90.049 ± 0.002°
• β: 96.419 ± 0.002°
• γ: 91.948 ± 0.002°
• Cell volume: 2153.49 ± 0.11 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No