Information card for entry 4335162

Structure parameters

• Formula: C50 H32 Cl2 N8 O8 Ru
• Calculated formula: C50 H32 Cl2 N8 O8 Ru
• SMILES: [Ru]1234([n]5c(c6[n]1cccc6)cc(c1ccc6c7c8c(cccc8ccc17)cc6)cc5c1[n]2cccc1)[n]1c([nH]c2ccccc12)c1[n]4c(ccc1)c1[nH]c2c([n]31)cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, Structural Characterization, and Photophysical, Spectroelectrochemical, and Anion-Sensing Studies of Heteroleptic Ruthenium(II) Complexes Derived from 4'-Polyaromatic-Substituted Terpyridine Derivatives and 2,6-Bis(benzimidazol-2-yl)pyridine
• Authors of publication: Dinesh Maity; Shyamal Das; Sourav Mardanya; Sujoy Baitalik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6820 - 6838
• a: 12.3047 ± 0.0009 Å
• b: 19.7234 ± 0.0016 Å
• c: 19.5156 ± 0.0015 Å
• α: 90°
• β: 90.466 ± 0.004°
• γ: 90°
• Cell volume: 4736.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1644
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No