Information card for entry 1558540

Structure parameters

• Formula: C19 H21 Cl2 N Ru
• Calculated formula: C19 H21 Cl2 N Ru
• SMILES: [Ru]12345(Cl)(Cl)([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C)[n]1cccc2c1cccc2
• Title of publication: One-pot dual catalysis for the hydrogenation of heteroarenes and arenes
• Authors of publication: Chatterjee, Basujit; Kalsi, Deepti; Kaithal, Akash; Bordet, Alexis; Leitner, Walter; Gunanathan, Chidambaram
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 5163 - 5170
• a: 7.1672 ± 0.0003 Å
• b: 13.7037 ± 0.0005 Å
• c: 17.9697 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.93 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No