Information card for entry 7029148

Structure parameters

• Formula: C54 H39 Cl2 N11 O8 Ru
• Calculated formula: C54 H39 Cl2 N11 O8 Ru
• SMILES: [Ru]123([n]4c(c([nH]c4c4ccc(cc4)c4cc(nc(c4)c4ccccn4)c4ccccn4)c4ccccn4)c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, structural characterization, and multichannel anion and cation sensing studies of a bifunctional Ru(ii) polypyridyl-imidazole based receptor.
• Authors of publication: Das, Shyamal; Karmakar, Srikanta; Mardanya, Sourav; Baitalik, Sujoy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3767 - 3782
• a: 19.089 ± 0.005 Å
• b: 15.026 ± 0.005 Å
• c: 21.23 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.527 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6061 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No