Information card for entry 8102139

Structure parameters

• Chemical name: tetraphenylphosphonium dichlorotetrakis(3-phenoxypropionato)diruthenium(II,III)
• Formula: C60 H56 Cl2 O12 P Ru2
• Calculated formula: C60 H56 Cl2 O12 P Ru2
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Ru]1234([Ru](Cl)([O]=C(O1)CCOc1ccccc1)(OC(=[O]2)CCOc1ccccc1)([O]=C(O3)CCOc1ccccc1)OC(=[O]4)CCOc1ccccc1)Cl
• Title of publication: Crystal structure of tetraphenylphosphonium dichlorotetrakis (3-phenoxypropionato)diruthenium(II,III), [P(C~6~H~5~)~4~][Ru~2~Cl~2~(O~3~C~9~H~9~)~4~]
• Authors of publication: González-Prieto, Rodrigo; Jiménez-Aparicio, Reyes; Luis Priego, J.; Rosario Torres, M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 271 - 273
• a: 8.6267 ± 0.0007 Å
• b: 23.4871 ± 0.0019 Å
• c: 28.7 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5815.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1663
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No