Information card for entry 4079881

Structure parameters

• Formula: C52 H47 N6 O9 P5 Ru
• Calculated formula: C52 H47 N6 O9 P5 Ru
• SMILES: [Ru]123(OP4(=O)OP(=O)(O1)OP(=O)(O2)O4)([n]1ccccc1c1[n]3cccc1)[N]#CC.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC
• 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: 10.663 ± 0.003 Å
• b: 15.345 ± 0.006 Å
• c: 17.515 ± 0.006 Å
• α: 98.67 ± 0.01°
• β: 106.18 ± 0.01°
• γ: 105.36 ± 0.01°
• Cell volume: 2574.8 ± 1.5 ų
• Cell temperature: 108.1 K
• Ambient diffraction temperature: 108.1 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 significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.041
• 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