Information card for entry 4320792

Structure parameters

• Formula: C46 H44 P2 Ru Se Si
• Calculated formula: C46 H44 P2 Ru Se Si
• SMILES: [Ru]1234([Se]C#C[Si](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: 15.959 ± 0.005 Å
• b: 15.207 ± 0.005 Å
• c: 17.67 ± 0.01 Å
• α: 90°
• β: 105.94 ± 0.04°
• γ: 90°
• Cell volume: 4123 ± 3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections included in the refinement: 0.0368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.684
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No