Information card for entry 4075141

Structure parameters

• Formula: C36 H42 Cl3 N O8 P2 Ru
• Calculated formula: C36 H42 Cl3 N O8 P2 Ru
• SMILES: [Ru]123([P](CC[P]1(c1c(OC)cccc1)c1c(OC)cccc1)(c1c([O]2C)cccc1)c1c(OC)cccc1)(OC(=O)CC3C(=O)OC)[NH3].ClC(Cl)Cl
• 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: 16.3423 ± 0.0013 Å
• b: 11.7192 ± 0.0011 Å
• c: 21.574 ± 0.003 Å
• α: 90°
• β: 109.319 ± 0.005°
• γ: 90°
• Cell volume: 3899.2 ± 0.7 ų
• Cell temperature: 163.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No