Information card for entry 1554191

Structure parameters

• Formula: C25 H29 Cl2 O2 P Ru
• Calculated formula: C25 H29 Cl2 O2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](c6ccccc6)(c6ccccc6)CCC(=O)O)[cH]6[c]5([cH]4[cH]3[c]2([cH]16)C)C(C)C
• Title of publication: Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone
• Authors of publication: Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 2370
• a: 10.595 ± 0.002 Å
• b: 12.873 ± 0.003 Å
• c: 18.387 ± 0.004 Å
• α: 90°
• β: 106.74°
• γ: 90°
• Cell volume: 2401.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.0874
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.577
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No