Information card for entry 4080428

Structure parameters

• Formula: C18 H31 Cl4 P Ru Si
• Calculated formula: C18 H31 Cl4 P Ru Si
• SMILES: [Ru]123456([c]7([cH]5[cH]4[cH]3[cH]2[cH]17)C[Si](C)(C)C[P]6(C)C1CCCCC1)(Cl)Cl.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: 13.2677 ± 0.0005 Å
• b: 12.4629 ± 0.0004 Å
• c: 14.2956 ± 0.0005 Å
• α: 90°
• β: 102.755 ± 0.002°
• γ: 90°
• Cell volume: 2305.5 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No