Information card for entry 1568560

Structure parameters

• Formula: C16 H24 I N3 O5 Ru
• Calculated formula: C16 H24 I N3 O5 Ru
• SMILES: [Ru]123456(I)([N](O)=C7C(=[N]1O)CCCC7)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.N(=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: 14.031 ± 0.006 Å
• b: 14.473 ± 0.006 Å
• c: 19.564 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3973 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No