Information card for entry 7057747

Structure parameters

• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• Title of publication: Ruthenium p-cymene complexes with α-diimine ligands as catalytic precursors for the transfer hydrogenation of ethyl levulinate to γ-valerolactone
• Authors of publication: Biancalana, Lorenzo; Fulignati, Sara; Antonetti, Claudia; Zacchini, Stefano; Provinciali, Giacomo; Pampaloni, Guido; Raspolli Galletti, Anna Maria; Marchetti, Fabio
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 17574
• a: 4.9045 ± 0.0011 Å
• b: 11.022 ± 0.002 Å
• c: 10.913 ± 0.003 Å
• α: 90°
• β: 101.589 ± 0.006°
• γ: 90°
• Cell volume: 577.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No