Information card for entry 1568561

Structure parameters

• Formula: C16 H28 Cl N3 O6 Ru
• Calculated formula: C16 H28 Cl N3 O6 Ru
• SMILES: [Ru]123456(Cl)([N](O)=C(C(=[N]1O)C)C)[c]1([c]6([c]5([c]4([c]3([c]21C)C)C)C)C)C.N(=O)(=O)[O-].O
• Title of publication: Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol
• Authors of publication: Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2160 - 2183
• a: 10.1596 ± 0.0007 Å
• b: 11.7047 ± 0.0008 Å
• c: 16.363 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1945.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0247
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No