Information card for entry 4089184

Structure parameters

• Formula: C39 H46 F6 N3 P3 Ru
• Calculated formula: C39 H46 F6 N3 P3 Ru
• SMILES: [Ru]12345([P]6(CN(C[P]1(CN(C6)Cc1ccccc1)c1ccccc1)Cc1ccccc1)c1ccccc1)([NH]1CCCC1)[cH]1[cH]2[cH]3[cH]4[cH]51.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Catalytic Acceptorless Dehydrogenation of Amines with Ru(PR2NR′2) and Ru(dppp) Complexes
• Authors of publication: Stubbs, James M.; Hazlehurst, Richard J.; Boyle, Paul D.; Blacquiere, Johanna M.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1692
• a: 10.564 ± 0.003 Å
• b: 23.741 ± 0.009 Å
• c: 15.12 ± 0.006 Å
• α: 90°
• β: 90.179 ± 0.013°
• γ: 90°
• Cell volume: 3792 ± 2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No