Information card for entry 7038370

Structure parameters

• Common name: 2-PG in manuscript
• Formula: C43 H52 B3 P3
• Calculated formula: C42.998 H50.302 B3 P3
• 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: 12.3553 ± 0.0016 Å
• b: 12.8366 ± 0.0014 Å
• c: 13.8659 ± 0.0015 Å
• α: 106.572 ± 0.008°
• β: 106.534 ± 0.008°
• γ: 94.533 ± 0.009°
• Cell volume: 1989.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No