Information card for entry 7041261

Structure parameters

• Chemical name: RuCl2(PPh3)(Ph2PC6H4NCHCH(CH3)2)
• Formula: C46 H51 Cl2 N3 O2 P2 Ru
• Calculated formula: C46 H51 Cl2 N3 O2 P2 Ru
• Title of publication: Phosphine-imine and -enamido ligands for acceptorless dehydrogenation catalysis.
• Authors of publication: Stubbs, J. M.; Firth, K. F.; Bridge, B. J.; Berger, K. J.; Hazlehurst, R. J.; Boyle, P. D.; Blacquiere, J. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 647 - 650
• a: 19.73 ± 0.008 Å
• b: 10.286 ± 0.004 Å
• c: 22.226 ± 0.01 Å
• α: 90°
• β: 90.131 ± 0.011°
• γ: 90°
• Cell volume: 4511 ± 3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• 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: 0.0779
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No