Information card for entry 7020750

Structure parameters

• Formula: C38 H41 B F4 N5 O P Ru
• Calculated formula: C38 H41 B F4 N5 O P Ru
• SMILES: [RuH]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3c(cccc3CN3C=2N(C=C3)C(C)C)CN2C=1N(C=C2)C(C)C)C#[O].[B](F)(F)(F)[F-]
• Title of publication: Hydrogenation of imines catalysed by ruthenium(II) complexes based on lutidine-derived CNC pincer ligands.
• Authors of publication: Hernández-Juárez, Martín; Vaquero, Mónica; Álvarez, Eleuterio; Salazar, Verónica; Suárez, Andrés
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 351 - 354
• a: 27.171 ± 0.004 Å
• b: 10.1791 ± 0.0013 Å
• c: 30.812 ± 0.004 Å
• α: 90°
• β: 113.21 ± 0.004°
• γ: 90°
• Cell volume: 7832.2 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.097
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No