Information card for entry 4346991

Structure parameters

• Formula: C35 H26.5 Cl N6.25 O6.25 Ru
• Calculated formula: C35 H26.5 Cl N6.5 O6 Ru
• SMILES: [Ru]123([O]=C4c5c(N2)ccc(c5C(=O)c2c4cccc2)N)([n]2c(c4[n]1cccc4)cccc2)[n]1c(c2[n]3cccc2)cccc1.Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.
• Authors of publication: Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2146 - 2156
• a: 16.335 ± 0.003 Å
• b: 22.032 ± 0.004 Å
• c: 20.936 ± 0.004 Å
• α: 90°
• β: 111.393 ± 0.002°
• γ: 90°
• Cell volume: 7016 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No