Information card for entry 4080924

Structure parameters

• Formula: C33 H47 Cl3 F12 N6 P2 Rh2
• Calculated formula: C33 H47 Cl3 F12 N6 P2 Rh2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345(n2c(Cn3c[n+](cc3)C)cc(Cn3c[n+](cc3)C)[n]2[Rh]2345([Cl]1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)Cl)Cl)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Pyrazolato-Bridged Dinuclear Complexes of Ruthenium(II) and Rhodium(III) with N-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Electrochemical Properties
• Authors of publication: Reindl, Stefan A.; Pöthig, Alexander; Drees, Markus; Bechlars, Bettina; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4082
• a: 24.8183 ± 0.0012 Å
• b: 8.8631 ± 0.0004 Å
• c: 22.7017 ± 0.0011 Å
• α: 90°
• β: 114.723 ± 0.002°
• γ: 90°
• Cell volume: 4535.9 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No