Information card for entry 4079884

Structure parameters

• Formula: C51 H46 N3 O12 P5 Ru
• Calculated formula: C51 H46 N3 O12 P5 Ru
• SMILES: [Ru]123(OP4(=O)OP(=O)(O1)OP(=O)(O2)O4)([n]1ccccc1c1[n]3cccc1)=C(OC)CC(=O)OC.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: 10.578 ± 0.002 Å
• b: 16.978 ± 0.003 Å
• c: 27.567 ± 0.006 Å
• α: 90°
• β: 94.624 ± 0.008°
• γ: 90°
• Cell volume: 4934.7 ± 1.7 ų
• Cell temperature: 108.1 K
• Ambient diffraction temperature: 108.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.052
• 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