Information card for entry 7044578

Structure parameters

• Formula: C62 H70 N6 O18 Ru4
• Calculated formula: C62 H70 N6 O18 Ru4
• SMILES: c12c3c4[n]5c6c(cccc6)[n]3[Ru]36([O]1[Ru]17([n]8c9c(cccc9)[n]9c(c4[O]([Ru]4%105(OC(=CC(=[O]4)C)C)[O]=C(C)C=C(O%10)C)[Ru]459(OC(=CC(=[O]4)C)C)[O]=C(C)C=C(O5)C)c28)(OC(=CC(=[O]1)C)C)[O]=C(C)C=C(O7)C)(OC(=CC(=[O]3)C)C)[O]=C(C)C=C(O6)C.N#CC.N#CC
• Title of publication: Non-innocence and mixed valency in tri- and tetranuclear ruthenium complexes of a heteroquinone bridging ligand
• Authors of publication: Ansari, Mohd. Asif; Mandal, Abhishek; Beyer, Katharina; Paretzki, Alexa; Schwederski, Brigitte; Kaim, W.; Lahiri, Goutam Kumar
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.5507 ± 0.0007 Å
• b: 15.9746 ± 0.0006 Å
• c: 15.9722 ± 0.0007 Å
• α: 90°
• β: 110.089 ± 0.006°
• γ: 90°
• Cell volume: 3247.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No