Information card for entry 7201470

Structure parameters

• Formula: C14 H25 Cl2 O5 P Ru
• Calculated formula: C14 H25 Cl2 O5 P Ru
• SMILES: [cH]12[c]3([cH]4[cH]5[cH]6[cH]1[Ru]23456([P](OCC)(OCC)OCC)(Cl)Cl)OCCO
• 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: 7.6034 ± 0.0001 Å
• b: 14.0769 ± 0.0002 Å
• c: 18.318 ± 0.0003 Å
• α: 90°
• β: 109.371 ± 0.001°
• γ: 90°
• Cell volume: 1849.63 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No