Information card for entry 7010220

Structure parameters

• Formula: C28 H29 N5 O5 Ru
• Calculated formula: C28 H29 N5 O5 Ru
• SMILES: [Ru]12([OH2])(n3c(=O)cccc3)(n3c(=O)cccc3)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1.O.O=C(C)C
• Title of publication: Synthesis and structure of a ruthenium(II) complex incorporating κN bound 2-pyridonato ligands; a new catalytic system for transfer hydrogenation of ketones
• Authors of publication: Kelson, Eric P.; Phengsy, Proma P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4023
• a: 9.6425 ± 0.0002 Å
• b: 16.5602 ± 0.0005 Å
• c: 18.7869 ± 0.0006 Å
• α: 65.1871 ± 0.0012°
• β: 89.7847 ± 0.0018°
• γ: 89.3632 ± 0.0018°
• Cell volume: 2722.81 ± 0.13 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 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: 0.088
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No