Information card for entry 4080923

Structure parameters

• Formula: C34 H47 Cl3 F12 N6 P2 Rh2
• Calculated formula: C34 H47 Cl3 F12 N6 P2 Rh2
• SMILES: [Rh]123456([Cl][Rh]789%10%11([n]%12n1c(CN1C=2N(C=C1)C)cc%12CN1C=7N(C=C1)C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].ClCCl
• 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: 19.4408 ± 0.0012 Å
• b: 14.6358 ± 0.0009 Å
• c: 17.6206 ± 0.0012 Å
• α: 90°
• β: 114.909 ± 0.002°
• γ: 90°
• Cell volume: 4547.2 ± 0.5 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No