Information card for entry 7031507

Structure parameters

• Formula: C26 H55 N O5 P2 Ru
• Calculated formula: C26 H55 N O5 P2 Ru
• SMILES: [RuH]12([P](C(C)(C)C)(C(C)(C)C)CC[N]2(C)CC[P]1(C(C)(C)C)C(C)(C)C)(OC(=O)C)C#[O].OC(=O)C
• Title of publication: Selective conversion of alcohols in water to carboxylic acids by in situ generated ruthenium trans dihydrido carbonyl PNP complexes.
• Authors of publication: Choi, Jong-Hoo; Heim, Leo E.; Ahrens, Mike; Prechtl, Martin H. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17248 - 17254
• a: 11.6024 ± 0.0004 Å
• b: 20.5977 ± 0.0006 Å
• c: 14.1642 ± 0.0004 Å
• α: 90°
• β: 113.029 ± 0.002°
• γ: 90°
• Cell volume: 3115.24 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No