Information card for entry 7201469

Structure parameters

• Formula: C11 H19 Cl2 O5 P Ru
• Calculated formula: C11 H19 Cl2 O5 P Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]6[c]1(OCCO)[Ru]23456(Cl)(Cl)[P](OC)(OC)OC
• Title of publication: Highly water-soluble arene-ruthenium(ii) complexes: application to catalytic isomerization of allylic alcohols in aqueous medium
• Authors of publication: Lastra-Barreira, Beatriz; Díez, Josefina; Crochet, Pascale
• Journal of publication: Green Chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 1681
• a: 6.985 ± 0.0006 Å
• b: 7.315 ± 0.0006 Å
• c: 16.94 ± 0.0016 Å
• α: 80.825 ± 0.004°
• β: 81.027 ± 0.004°
• γ: 63.636 ± 0.005°
• Cell volume: 762.05 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No