Information card for entry 4349278

Structure parameters

• Formula: C40 H39 N5 O10 Ru2
• Calculated formula: C40 H39 N5 O10 Ru2
• SMILES: [Ru]123([O]=C(C=C(O1)C)C)(OC(=CC(=[O]2)C)C)[n]1c2c(c4O[Ru]56(OC(=CC(=[O]6)C)C)(OC(=CC(=[O]5)C)C)[n]5c4c(nc4c5cccc4)c2O3)nc2ccccc12.C(#N)C
• 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: 34.064 ± 0.006 Å
• b: 60.772 ± 0.01 Å
• c: 8.036 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16636 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No