Information card for entry 7038372

Structure parameters

• Common name: D-3 in manuscript
• Formula: C34.5 H32 Cl3 N O P2 Ru
• Calculated formula: C34.5 H32 Cl3 N O P2 Ru
• Title of publication: Triphos derivatives and diphosphines as ligands in the ruthenium-catalysed alcohol amination with NH3.
• Authors of publication: Nakagawa, N.; Derrah, E. J.; Schelwies, M.; Rominger, F.; Trapp, O.; Schaub, T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6856 - 6865
• a: 29.4997 ± 0.0016 Å
• b: 51.979 ± 0.003 Å
• c: 8.4886 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13016.1 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No