Information card for entry 4346990

Structure parameters

• Formula: C44 H38 Cl N6 O10 Ru2
• Calculated formula: C44 H38 Cl N6 O10 Ru2
• SMILES: [Ru]123(OC(=CC(=[O]1)C)C)(Oc1c4c(c5O[Ru]67([n]8ccccc8c8[n]6cccc8)(Nc6c5c1c(N3)cc6)[n]1c(cccc1)c1[n]7cccc1)cccc4)OC(=CC(=[O]2)C)C.Cl(=O)(=O)(=O)[O-]
• 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: 12.143 ± 0.004 Å
• b: 12.99 ± 0.006 Å
• c: 15.367 ± 0.006 Å
• α: 85.521 ± 0.013°
• β: 71.358 ± 0.011°
• γ: 84.83 ± 0.015°
• Cell volume: 2284.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No