Information card for entry 2242038

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3,5-di-<i>tert</i>-butyl-<i>o</i>-benzoquinonato-κ^2^<i>O</i>,<i>O</i>')ruthenium(II)
• Formula: C38 H48 N2 O4 Ru
• Calculated formula: C38 H48 N2 O4 Ru
• SMILES: [Ru]123(Oc4c(O2)cc(C(C)(C)C)cc4C(C)(C)C)(Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2O1)[n]1ccccc1c1[n]3cccc1
• Title of publication: Crystal structure of (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3,5-di-<i>tert</i>-butyl-<i>o</i>-benzoquinonato-κ^2^<i>O</i>,<i>O</i>')ruthenium(II)
• Authors of publication: Faizi, Md. Serajul Haque; Ali, Akram; Potaskalov, Vadim A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 3
• Pages of publication: 459 - 462
• a: 10.125 ± 0.005 Å
• b: 10.325 ± 0.005 Å
• c: 17.419 ± 0.005 Å
• α: 76.583 ± 0.005°
• β: 83.238 ± 0.005°
• γ: 85.777 ± 0.005°
• Cell volume: 1756.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes