Information card for entry 4320790

Structure parameters

• Formula: C47 H44 P2 Ru S
• Calculated formula: C47 H44 P2 Ru S
• SMILES: [Ru]1234(SC#CC(C)(C)C)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Alkynethiolato and Alkyneselenolato Ruthenium Half-Sandwich Complexes: Synthesis, Structures, and Reactions with (η5-C5H5)2Zr
• Authors of publication: Yusuke Sunada; Yuji Hayashi; Hiroyuki Kawaguchi; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 7072 - 7078
• a: 10.2855 ± 0.0008 Å
• b: 13.976 ± 0.002 Å
• c: 14.583 ± 0.002 Å
• α: 99.03 ± 0.005°
• β: 108.29 ± 0.002°
• γ: 100.284 ± 0.002°
• Cell volume: 1906.9 ± 0.4 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No