Information card for entry 1552036

Structure parameters

• Formula: C55.88 H63.37 F6 N5.38 O6 P Rh2 S2 Si2
• Calculated formula: C55.8745 H63.3725 F5.9985 N5.375 O5.9985 P Rh2 S1.9995 Si2
• 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: 12.7709 ± 0.0007 Å
• b: 23.1638 ± 0.0013 Å
• c: 24.3054 ± 0.0014 Å
• α: 116.325 ± 0.002°
• β: 96.234 ± 0.002°
• γ: 102.612 ± 0.002°
• Cell volume: 6113 ± 0.6 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1501
• Residual factor for significantly intense reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.2679
• Weighted residual factors for all reflections included in the refinement: 0.2987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No