Information card for entry 2237471

Structure parameters

• Chemical name: Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-μ-oxido-κ^2^<i>O</i>:<i>O</i>'-bis[<i>cis</i>-(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-(pyridine-κ<i>N</i>)ruthenium(III)] bis(hexafluoridophosphate)
• Formula: C34 H32 F12 N6 O5 P2 Ru2
• Calculated formula: C34 H32 F12 N6 O5 P2 Ru2
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1)O[Ru]1([n]2ccccc2c2cccc[n]12)([n]1ccccc1)([O]=C(C)O3)OC(C)=[O]4.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-μ-oxido-κ^2^<i>O</i>:<i>O</i>'-bis[<i>cis</i>-(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-(pyridine-κ<i>N</i>)ruthenium(III)] bis(hexafluoridophosphate)
• Authors of publication: Ido, Yohei; Fujihara, Takashi; Nagasawa, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m145 - m146
• a: 12.333 ± 0.0009 Å
• b: 18.2182 ± 0.0014 Å
• c: 18.149 ± 0.0014 Å
• α: 90°
• β: 97.253 ± 0.001°
• γ: 90°
• Cell volume: 4045.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.031
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes