Information card for entry 7022803

Structure parameters

• Formula: C30 H33 Cl F6 O5 P Ru Sb
• Calculated formula: C30 H33 Cl F6 O5 P Ru Sb
• SMILES: [cH]12[cH]3[cH]4[c]56[cH]7[cH]1[Ru]23467(Cl)([OH]CCC5)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.C(=O)(C)C.F[Sb](F)(F)(F)(F)[F-]
• Title of publication: Functionalized arene-ruthenium(II) complexes: dangling vs. tethering side chain.
• Authors of publication: Lastra-Barreira, Beatriz; Díez, Josefina; Crochet, Pascale; Fernández, Israel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5412 - 5420
• a: 11.7393 ± 0.0001 Å
• b: 19.5779 ± 0.0002 Å
• c: 15.0206 ± 0.0001 Å
• α: 90°
• β: 99.505 ± 0.001°
• γ: 90°
• Cell volume: 3404.8 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No