Information card for entry 7023851

Structure parameters

• Formula: C23 H29 Cl2 N2 O3.5 Ru S
• Calculated formula: C23 H28 Cl2 N2 O3 Ru S
• SMILES: [Ru]12345(Cl)(Cl)([NH2]c6cc(NS(=O)(=O)c7ccc(OC)cc7)ccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• Title of publication: Synthesis and characterization of SiO2-supported ruthenium complexes containing aromatic sulfonamides: as catalysts for transfer hydrogenation of acetophenone.
• Authors of publication: Dayan, Serkan; Kalaycıoğlu, Nilgün Özpozan; Dayan, Osman; Özdemir, Namık; Dinçer, Muharrem; Büyükgüngör, Orhan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4957 - 4969
• a: 10.8448 ± 0.0003 Å
• b: 15.2091 ± 0.0006 Å
• c: 17.3707 ± 0.0005 Å
• α: 90°
• β: 116.359 ± 0.002°
• γ: 90°
• Cell volume: 2567.23 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No