Information card for entry 7022802

Structure parameters

• Formula: C60 H70 Cl3 F6 O6 P2 Ru2 Sb
• Calculated formula: C60 H70 Cl3 F6 O6 P2 Ru2 Sb
• SMILES: [cH]12[cH]3[cH]4[c]5([cH]6[cH]1[Ru]23456(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Cl][Ru]12345([cH]6[cH]5[cH]4[c]3([cH]2[cH]16)OCCO)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)OCCO.F[Sb](F)(F)(F)([F-])F.CCOCC.O(CC)CC
• 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: 31.3423 ± 0.0011 Å
• b: 14.4711 ± 0.0007 Å
• c: 15.096 ± 0.0005 Å
• α: 90°
• β: 114.85 ± 0.004°
• γ: 90°
• Cell volume: 6213 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No