Information card for entry 1552035

Structure parameters

• Formula: C32.95 H34.41 F1.5 O2.74 P Rh0.5 S0.5 Si
• Calculated formula: C32.966 H35.947 F1.5 O2.7415 P Rh0.5 S0.5 Si
• 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: 13.5229 ± 0.0013 Å
• b: 14.4511 ± 0.0013 Å
• c: 16.9413 ± 0.0016 Å
• α: 82.096 ± 0.002°
• β: 83.193 ± 0.002°
• γ: 72.058 ± 0.002°
• Cell volume: 3109.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0682
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No