Information card for entry 7032215

Structure parameters

• Formula: C45 H52 N8 O9 Ru3
• Calculated formula: C45 H52 N8 O9 Ru3
• SMILES: [Ru]1234([O]=C(C)C=C(O1)C)[O]=C(C=C([O]2[Ru]1(n2[n]3ccc2)(n2[n]4ccc2)(C#[O])n2[n](ccc2)[Ru]23([n]4n1ccc4)(OC(=CC(=[O]2)C)C)[O]=C(C)C=C(O3)C)C)C.c1ccccc1.c1ccccc1
• 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: 21.1904 ± 0.0018 Å
• b: 13.8632 ± 0.0012 Å
• c: 17.291 ± 0.0014 Å
• α: 90°
• β: 107.78 ± 0.001°
• γ: 90°
• Cell volume: 4836.9 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No