Information card for entry 7034720

Structure parameters

• Formula: C31 H55 B F4 N6 Ru
• Calculated formula: C31 H55 B F4 N6 Ru
• Title of publication: 16-Electron pentadienyl- and cyclopentadienyl-ruthenium half-sandwich complexes with bis(imidazol-2-imine) ligands and their use in catalytic transfer hydrogenation.
• Authors of publication: Glöge, Thomas; Jess, Kristof; Bannenberg, Thomas; Jones, Peter G.; Langenscheidt-Dabringhausen, Nadine; Salzer, Albrecht; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11717 - 11724
• a: 15.7948 ± 0.0002 Å
• b: 14.0426 ± 0.0004 Å
• c: 31.497 ± 0.0009 Å
• α: 90°
• β: 99.176 ± 0.002°
• γ: 90°
• Cell volume: 6896.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No