Information card for entry 7037062

Structure parameters

• Formula: C41 H30 F3 N2 O3 Rh S2
• Calculated formula: C41 H30 F3 N2 O3 Rh S2
• SMILES: [Rh]12345([S](C6c7c([CH]2=[CH]3c2c6cccc2)cccc7)C2c3c([CH]4=[CH]5c4c2cccc4)cccc3)[n]2ccccc2c2[n]1cccc2.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Diolefins with an ether/thioether functionality as ligands in the coordination sphere of Ni and Rh.
• Authors of publication: Lichtenberg, Crispin; Bloch, Jan; Gianetti, Thomas L.; Büttner, Torsten; Geier, Jens; Grützmacher, Hansjörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20056 - 20066
• a: 13.5009 ± 0.0016 Å
• b: 16.904 ± 0.002 Å
• c: 19.606 ± 0.002 Å
• α: 90°
• β: 105.926 ± 0.002°
• γ: 90°
• Cell volume: 4302.7 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No