Information card for entry 2217753

Structure parameters

• Chemical name: μ~3~-Carbonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-tris{(η^6^- benzene)[(<i>R</i>)-1-(1-aminoethyl)naphthyl- κ^2^<i>C</i>^2^,<i>N</i>]ruthenium(II)} hexafluoridophosphate dichloromethane solvate
• Formula: C56 H56 Cl2 F6 N3 O3 P Ru3
• Calculated formula: C56 H56 Cl2 F6 N3 O3 P Ru3
• SMILES: C(O[Ru]123456(c7ccc8ccccc8c7[C@@H](C)[NH2]6)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56)(O[Ru]123456(c7ccc8ccccc8c7[C@@H](C)[NH2]6)[cH]6[cH]5[cH]4[cH]3[cH]2[cH]16)=[O][Ru]123456(c7ccc8ccccc8c7[C@@H](C)[NH2]6)[cH]6[cH]5[cH]4[cH]3[cH]2[cH]16.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: μ~3~-Carbonato-κ^3^<i>O</i>:<i>O</i>':<i>O</i>''-tris{(η^6^-benzene)[(<i>R</i>)-1-(1-aminoethyl)naphthyl-κ^2^<i>C</i>^2^,<i>N</i>]ruthenium(II)} hexafluoridophosphate dichloromethane solvate
• Authors of publication: Sortais, Jean-Baptiste; Brelot, Lydia; Pfeffer, Michel; Barloy, Laurent
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m483 - m484
• a: 11.4732 ± 0.0002 Å
• b: 19.1377 ± 0.0005 Å
• c: 12.0169 ± 0.0002 Å
• α: 90°
• β: 90.832 ± 0.002°
• γ: 90°
• Cell volume: 2638.28 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes