Information card for entry 4320795

Structure parameters

• Formula: C47 H35 P Ru Se Zr
• Calculated formula: C47 H35 P Ru Se Zr
• SMILES: [Ru]12345([Se][Zr]6789%10%11%12%13%14([C]1#[C]7c1ccccc1)([cH]1[cH]8[cH]9[cH]%10[cH]%111)[cH]1[cH]6[cH]%14[cH]%13[cH]%121)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]5[cH]4[cH]31.c1ccccc1
• 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: 8.198 ± 0.003 Å
• b: 13.851 ± 0.005 Å
• c: 18.253 ± 0.007 Å
• α: 112.416 ± 0.003°
• β: 97.215 ± 0.007°
• γ: 91.569 ± 0.009°
• Cell volume: 1894.4 ± 1.2 ų
• Cell temperature: 273.2 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: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No