Information card for entry 4069292

Structure parameters

• Formula: C51 H54 B Cl N4 O Ru
• Calculated formula: C51 H54 B Cl N4 O Ru
• SMILES: [Ru]123456(Cl)([n]7n(c(cc7C)C)C(n7[n]1c(cc7C)C)c1ccccc1O)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Base-Free Transfer Hydrogenation of Ketones Using Arene Ruthenium(II) Complexes
• Authors of publication: Carrión, M. Carmen; Sepúlveda, Francisco; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3822
• a: 13.918 ± 0.005 Å
• b: 16.627 ± 0.005 Å
• c: 20.011 ± 0.005 Å
• α: 90 ± 0.005°
• β: 104.071 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4492 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1053
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No