Information card for entry 4334730

Structure parameters

• Formula: C19 H23 Cl F6 N3 P Ru
• Calculated formula: C19 H23 Cl F6 N3 P Ru
• SMILES: [Ru]123456(Cl)([c]7(C(C)C)[cH]1[cH]2[c]3(C)[cH]4[cH]57)[n]1ccccc1N1C=6N(C=C1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Photo-, and Electrochemistry of Ruthenium Bis(bipyridine) Complexes Comprising a N-heterocyclic Carbene Ligand
• Authors of publication: Vivienne Leigh; Wadi Ghattas; Ralte Lalrempuia; Helge Müller-Bunz; Mary T. Pryce; Martin Albrecht
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5395 - 5402
• a: 11.9352 ± 0.0004 Å
• b: 10.9933 ± 0.0003 Å
• c: 16.9445 ± 0.0004 Å
• α: 90°
• β: 96.926 ± 0.002°
• γ: 90°
• Cell volume: 2207.02 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0493
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No