Information card for entry 4075140

Structure parameters

• Formula: C71 H81 Cl3 O18 P4 Ru2
• Calculated formula: C71 H81.01 Cl3 O18 P4 Ru2
• SMILES: [Ru]123([P](CC[P]1(c1c(OC)cccc1)c1ccccc1OC)(c1c([O]2C)cccc1)c1c(OC)cccc1)([OH2])OC(=[O][Ru]124([P](CC[P]1(c1c(OC)cccc1)c1c(OC)cccc1)(c1c([O]2C)cccc1)c1c(OC)cccc1)OC(=O)C[C@@H]4C(=O)OC)C[C@@H]3C(=O)OC.ClC(Cl)Cl.O.[Ru]123([P](CC[P]1(c1c(OC)cccc1)c1ccccc1OC)(c1c([O]2C)cccc1)c1c(OC)cccc1)([OH2])OC(=[O][Ru]124([P](CC[P]1(c1c(OC)cccc1)c1c(OC)cccc1)(c1c([O]2C)cccc1)c1c(OC)cccc1)OC(=O)C[C@H]4C(=O)OC)C[C@H]3C(=O)OC.ClC(Cl)Cl.O
• Title of publication: Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear Ammonia Complex Bearing P−P−O Facial Tridentate Ligands and Oxametallacycle Moieties
• Authors of publication: Tsunawaki, Fumiaki; Ura, Yasuyuki; Kondo, Teruyuki; Iwasa, Tomomichi; Harumashi, Tatsuro; Mitsudo, Take-aki
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2547
• a: 13.222 ± 0.004 Å
• b: 13.403 ± 0.004 Å
• c: 24.012 ± 0.007 Å
• α: 103.559 ± 0.004°
• β: 90.982 ± 0.004°
• γ: 95.869 ± 0.004°
• Cell volume: 4111 ± 2 ų
• Cell temperature: 213.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No