Information card for entry 4080425

Structure parameters

• Formula: C18 H31 Cl2 P Ru
• Calculated formula: C18 H31 Cl2 P Ru
• SMILES: [Ru]123456([P@](CCC71[c]2([c]3([c]4([c]5([c]67C)C)C)C)C)(C(C)(C)C)C)(Cl)Cl
• Title of publication: [RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA
• Authors of publication: Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 2344
• a: 8.897 ± 0.003 Å
• b: 17.008 ± 0.004 Å
• c: 13.237 ± 0.003 Å
• α: 90°
• β: 90.32 ± 0.02°
• γ: 90°
• Cell volume: 2003 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No