Information card for entry 7061046

Structure parameters

• Formula: C28 H30 N4 O8 Ru
• Calculated formula: C28 H30 N4 O8 Ru
• SMILES: [Ru]12([OH2])([n]3c(cccc3C(=O)N2Cc2ccc(OC)cc2)C(=O)N1Cc1ccc(OC)cc1)(C#[O])C#[O].O=CN(C)C
• Title of publication: Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation
• Authors of publication: Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 18282 - 18289
• a: 10.696 ± 0.002 Å
• b: 22.632 ± 0.005 Å
• c: 11.846 ± 0.003 Å
• α: 90°
• β: 102.617 ± 0.003°
• γ: 90°
• Cell volume: 2798.3 ± 1.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No