Information card for entry 4108853

Structure parameters

• Formula: C72 H70 Cl4 N O11 P7 Ru
• Calculated formula: C72 H70 Cl4 N O11 P7 Ru
• SMILES: [Ru]1234([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OP1(=O)OP(=O)(O2)OP(=O)(O3)O1)[CH](=[CH]4C(=O)OCC)C.ClCCCl.ClCCCl.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Formation of Vinylidenes from Internal Alkynes at a Cyclotriphosphato Ruthenium Complex
• Authors of publication: Yousuke Ikeda; Takafumi Yamaguchi; Keiichiro Kanao; Kazuhiro Kimura; Sou Kamimura; Yuichiro Mutoh; Yoshiaki Tanabe; Youichi Ishii
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16856 - 16857
• a: 9.9476 ± 0.0019 Å
• b: 36.449 ± 0.007 Å
• c: 20.012 ± 0.004 Å
• α: 90°
• β: 97.625 ± 0.002°
• γ: 90°
• Cell volume: 7192 ± 2 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 7
• 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: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No