Information card for entry 4327532

Structure parameters

• Common name: Ruthenium complex
• Formula: C28 H26 Cl2 N6 O5 Ru
• Calculated formula: C28 H22 Cl2 N6 O5 Ru
• SMILES: [Ru]123(Cl)([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)[n]1ccccc1C=[N]3Nc1ccccc1.Cl(=O)(=O)(=O)[O-].OC
• Title of publication: Example of Highly Stereoregulated Ruthenium Amidine Complex Formation: Synthesis, Crystal Structures, and Spectral and Redox Properties of the Complexes [RuII(trpy){NC5H4CHNN(C6H5)C(CH3)NH}](ClO4)2 (1) and [RuII(trpy)(NC5H4CHNNHC6H5)Cl]ClO4 (2) (trpy = 2,2':6',2''-Terpyridine)
• Authors of publication: Biplab Mondal; Vedavati G. Puranik; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5831 - 5836
• a: 8.879 ± 0.002 Å
• b: 25.991 ± 0.006 Å
• c: 13.059 ± 0.003 Å
• α: 90°
• β: 94.317 ± 0.004°
• γ: 90°
• Cell volume: 3005.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No