Information card for entry 7050909

Structure parameters

• Formula: C22 H16 Cl4 N4 Ru
• Calculated formula: C22 H16 Cl4 N4 Ru
• SMILES: [Ru]12(Nc3ccc(Cl)cc3N1c1ccc(Cl)cc1)(Cl)(Cl)[n]1ccccc1c1[n]2cccc1
• Title of publication: Ruthenium complexes of quinone related N-aryl-1,2-diimines. Metal mediated synthesis, X-ray structure and chemical reactionElectronic supplementary information (ESI) available: partial energy level diagram and molecular orbitals of 1c. See http://www.rsc.org/suppdata/nj/b2/b203956g/
• Authors of publication: Das, Chayan; Kamar, Kunal K.; Ghosh, Amit K.; Majumdar, Partha; Hung, Chen-Hsuing; Goswami, Sreebrata
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1409
• a: 9.8575 ± 0.0017 Å
• b: 10.3607 ± 0.0017 Å
• c: 22.02 ± 0.004 Å
• α: 90°
• β: 96.544 ± 0.003°
• γ: 90°
• Cell volume: 2234.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No