Information card for entry 7049360

Structure parameters

• Formula: C79 H67 Cl3 F6 O7 P4 Ru2
• Calculated formula: C79 H67 Cl3 F6 O7 P4 Ru2
• Title of publication: Ru(O₂CCF₃)₂(PPh₃)₂ and ruthenium phosphine complexes bearing fluoroacetate ligands: synthesis, characterization and catalytic activity.
• Authors of publication: Hey, Daniela A.; Fischer, Pauline J.; Baratta, Walter; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 14
• Pages of publication: 4625 - 4635
• a: 13.639 ± 0.007 Å
• b: 39.5 ± 0.02 Å
• c: 14.472 ± 0.008 Å
• α: 90°
• β: 100.941 ± 0.016°
• γ: 90°
• Cell volume: 7655 ± 7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0687
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No