Information card for entry 4064974

Structure parameters

• Formula: C31 H23 Cl2 N7 O2 Ru S
• Calculated formula: C31 H23 Cl2 N7 O2 Ru S
• SMILES: [Ru]123(Cl)([n]4c(cccc4c4[nH]c5ccccc5[n]14)c1[nH]c4ccccc4[n]21)[n]1ccccc1C=[N]3S(=O)(=O)c1ccccc1.[Cl-]
• Title of publication: Synthesis of Ruthenium(II) Complexes Containing Tridentate Triamine (′N ͡N ͡N′) and Bidentate Diamine Ligands (N ͡N′): as Catalysts for Transfer Hydrogenation of Ketones
• Authors of publication: Günnaz, Salih; Özdemir, Namık; Dayan, Serkan; Dayan, Osman; Çetinkaya, Bekir
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4165
• a: 8.1576 ± 0.0005 Å
• b: 18.6367 ± 0.0009 Å
• c: 10.1442 ± 0.0007 Å
• α: 90°
• β: 91.002 ± 0.006°
• γ: 90°
• Cell volume: 1541.99 ± 0.16 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1605
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No