Information card for entry 4349279

Structure parameters

• Formula: C39 H38 Cl2 N4 O10 Ru2
• Calculated formula: C39 H38 Cl2 N4 O10 Ru2
• SMILES: [Ru]123(Oc4c5[n]3c3c([n]6[Ru]78(Oc(c56)c5nc6ccccc6nc45)([O]=C(C)C=C(O7)C)OC(=CC(=[O]8)C)C)cccc3)([O]=C(C=C(O1)C)C)[O]=C(C=C(O2)C)C.ClCCl
• Title of publication: Isomeric Diruthenium Complexes of a Heterocyclic and Quinonoid Bridging Ligand: Valence and Spin Alternatives for the Metal/Ligand/Metal Arrangement.
• Authors of publication: Ansari, Mohd Asif; Mandal, Abhishek; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12357 - 12365
• a: 11.2273 ± 0.0008 Å
• b: 23.898 ± 0.0016 Å
• c: 15.396 ± 0.0012 Å
• α: 90°
• β: 103.292 ± 0.008°
• γ: 90°
• Cell volume: 4020.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.128
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No