Information card for entry 7034721

Structure parameters

• Formula: C29 H49 B F4 N6 Ru
• Calculated formula: C29 H49 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: 18.4902 ± 0.0004 Å
• b: 11.6717 ± 0.0002 Å
• c: 15.5756 ± 0.0002 Å
• α: 90°
• β: 110.188 ± 0.002°
• γ: 90°
• Cell volume: 3154.9 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No