Information card for entry 4063323

Structure parameters

• Formula: C29 H33 N3 P2 Ru
• Calculated formula: C29 H33 N3 P2 Ru
• SMILES: [RuH]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P]56CN7CN(C5)CN(C6)C7)[cH]5[cH]4[cH]3[cH]2[cH]15
• Title of publication: pH-Dependent Selective Transfer Hydrogenation of α,β-Unsaturated Carbonyls in Aqueous Media Utilizing Half-Sandwich Ruthenium(II) Complexes
• Authors of publication: Charles A. Mebi; Radhika P. Nair; Brian J. Frost
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 429 - 438
• a: 9.6416 ± 0.0004 Å
• b: 11.0933 ± 0.0005 Å
• c: 12.6741 ± 0.0006 Å
• α: 99.445 ± 0.001°
• β: 102.099 ± 0.001°
• γ: 96.181 ± 0.001°
• Cell volume: 1293.24 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No