Information card for entry 4339061

Structure parameters

• Formula: C65 H57 Cl N2 O3 P4 Ru S
• Calculated formula: C65 H57 Cl N2 O3 P4 Ru S
• SMILES: [Ru]12(Cl)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)C#Cc1sc(cc1)C=C1C(=O)N(C(=O)N(C1=O)C)C
• Title of publication: Alkynyl ruthenium colorimetric sensors: optimizing the selectivity toward fluoride anion.
• Authors of publication: Fillaut, Jean-Luc; Andriès, Julien; Perruchon, Johann; Desvergne, Jean-Pierre; Toupet, Loïc; Fadel, Lotfi; Zouchoune, Bachir; Saillard, Jean-Yves
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5922 - 5932
• a: 10.9596 ± 0.0002 Å
• b: 14.6367 ± 0.0004 Å
• c: 18.5586 ± 0.0006 Å
• α: 78.498 ± 0.001°
• β: 81.692 ± 0.001°
• γ: 77.416 ± 0.001°
• Cell volume: 2831.23 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No