Information card for entry 4079882

Structure parameters

• Formula: C57 H56 N3 O15 P5 Ru
• Calculated formula: C57 H55 N3 O15 P5 Ru
• SMILES: [Ru]1234(OP5(OP(=O)(O1)OP(=O)(O2)O5)=O)([n]1ccccc1c1[n]3cccc1)[C](#[C]4C(=O)OC)C(=O)OC.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.OC
• 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: 10.7266 ± 0.0014 Å
• b: 24.522 ± 0.005 Å
• c: 21.93 ± 0.003 Å
• α: 90°
• β: 91.157 ± 0.007°
• γ: 90°
• Cell volume: 5767.2 ± 1.6 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: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No