Information card for entry 7061047

Structure parameters

• Formula: C51 H52 N3 O11 P Ru
• Calculated formula: C51 H52 N3 O11 P Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3c4C(=O)N1Cc1ccc(OCCOCCOCCOCCOCCOc5ccc(cc5)CN2C(=O)c3ccc4)cc1)(C#[O])C#[O].O
• 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: 12.906 ± 0.008 Å
• b: 13.325 ± 0.008 Å
• c: 14.696 ± 0.008 Å
• α: 78.66 ± 0.03°
• β: 73.19 ± 0.03°
• γ: 84.04 ± 0.03°
• Cell volume: 2369 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No