Information card for entry 7022801

Structure parameters

• Formula: C52 H50 Cl2 F12 O10 P2 Ru2 Sb2
• Calculated formula: C52 H50 Cl2 F12 O10 P2 Ru2 Sb2
• SMILES: [cH]12[cH]3[cH]4[c]5([Ru]67234([cH]1[cH]56)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)[Cl][Ru]12345([cH]6[cH]5[cH]4[c]3([cH]2[cH]16)OCCO)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)[Cl]7)OCCO.F[Sb](F)(F)(F)(F)[F-].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: 9.9387 ± 0.0003 Å
• b: 11.848 ± 0.0004 Å
• c: 24.2871 ± 0.0007 Å
• α: 90°
• β: 92.775 ± 0.002°
• γ: 90°
• Cell volume: 2856.54 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No