Information card for entry 1552034

Structure parameters

• Formula: C67 H65 Cl6 F6 O6 P3 Rh2 S2 Si2
• Calculated formula: C63 F3 O3 P3 Rh2 S Si2
• SMILES: [Rh]1234[Rh]567([P](C[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(OS(=O)(=O)C(F)(F)F)[C]([Si](C)(C)C)#[C]5[C]23c3ccccc3C([P]1(c1ccccc1)c1ccccc1)c1ccccc1[C]4=2[C]6#[C]7[Si](C)(C)C
• 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: 18.6773 ± 0.0005 Å
• b: 20.3524 ± 0.0004 Å
• c: 21.3813 ± 0.0005 Å
• α: 90°
• β: 115.129 ± 0.002°
• γ: 90°
• Cell volume: 7358.4 ± 0.3 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 9
• 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: 0.0899
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No