Information card for entry 7034719

Structure parameters

• Formula: C27 H47 B F4 N6 O Ru
• Calculated formula: C27 H47 B F4 N6 O Ru
• SMILES: [Ru]12345([N](CC[N]1=C1N(C(=C(N1C)C)C)C)=C1N(C(=C(N1C)C)C)C)C[C]2(=[CH]3[C]4(=[CH2]5)C)C.O1CCCC1.[B](F)(F)(F)[F-]
• 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: 7.4989 ± 0.0005 Å
• b: 11.8261 ± 0.0004 Å
• c: 17.625 ± 0.0008 Å
• α: 100.627 ± 0.003°
• β: 95.959 ± 0.004°
• γ: 97.082 ± 0.004°
• Cell volume: 1511.62 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No