Information card for entry 4335160

Structure parameters

• Formula: C44 H30 Cl2 N8 O8 Ru
• Calculated formula: C44 H30 Cl2 N8 O8 Ru
• SMILES: [Ru]1234([n]5c(c6[nH]c7c([n]26)cccc7)cccc5c2[nH]c5c([n]32)cccc5)[n]2c(c3[n]4c(cc(c3)c3cc4c(cc3)cccc4)c3[n]1cccc3)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: 12.596 ± 0.003 Å
• b: 13.643 ± 0.003 Å
• c: 14.164 ± 0.002 Å
• α: 88.326 ± 0.014°
• β: 80.547 ± 0.014°
• γ: 88.024 ± 0.015°
• Cell volume: 2398.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No