Information card for entry 7032217

Structure parameters

• Formula: C16 H21 N4 O4 Ru
• Calculated formula: C16 H21 N4 O4 Ru
• SMILES: [Ru]12([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)([n]1[nH]ccc1)n1nccc1
• Title of publication: Bis(acetylacetonato)bis(pyrazolato)ruthenate(iii) as a redox-active scorpionate ligand.
• Authors of publication: Yoshida, Jun; Sugawara, Keisuke; Yuge, Hidetaka; Okabayashi, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 16066 - 16073
• a: 8.5206 ± 0.0004 Å
• b: 26.724 ± 0.0013 Å
• c: 8.9397 ± 0.0005 Å
• α: 90°
• β: 113.796 ± 0.001°
• γ: 90°
• Cell volume: 1862.56 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No