Information card for entry 4079886

Structure parameters

• Formula: C49 H42 Cl4 N3 O10 P5 Ru
• Calculated formula: C49 H42 Cl4 N3 O10 P5 Ru
• SMILES: [Ru]123(OP4(=O)OP(=O)(O1)OP(=O)(O2)O4)([n]1ccccc1c1[n]3cccc1)C#[O].ClCCl.ClCCl.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Transformations of Alkynes at a Cyclotriphosphato Ruthenium Complex
• Authors of publication: Kanao, Keiichiro; Ikeda, Yousuke; Kimura, Kazuhiro; Kamimura, Sou; Tanabe, Yoshiaki; Mutoh, Yuichiro; Iwasaki, Masakazu; Ishii, Youichi
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 527
• a: 10.584 ± 0.003 Å
• b: 14.659 ± 0.004 Å
• c: 17.808 ± 0.007 Å
• α: 84.18 ± 0.02°
• β: 73.41 ± 0.03°
• γ: 88.88 ± 0.03°
• Cell volume: 2634.1 ± 1.5 ų
• Cell temperature: 108.1 K
• Ambient diffraction temperature: 108.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No