Information card for entry 4308902

Structure parameters

• Formula: C84 H67 Cl Co2 N12 O24 S8
• Calculated formula: C84 H67 Cl Co2 N12 O24 S8
• SMILES: [Co]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[Co]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.S1c2cc(S(=O)(=O)[O-])cc(Sc3cc(S(=O)(=O)[O-])cc(Sc4cc(S(=O)(=O)[O-])cc(Sc5cc(S(=O)(=O)[O-])cc1c5O)c4[O-])c3O)c2O.Cl(=O)(=O)(=O)[O-].O.O.O.O
• Title of publication: Outer-Sphere Association of p-Sulfonatothiacalix[4]arene and Tetrasulfonatomethylated Calix[4]resorcinarene with Cobalt(III) Tris(dipyridyl): The Effect on the Spectral and Electrochemical Properties of the Latter
• Authors of publication: Asiya R. Mustafina; Viktoriya V. Skripacheva; Aidar T. Gubaidullin; Shamil K. Latipov; Asiya V. Toropchina; Vitaly V. Yanilkin; Svetlana E. Solovieva; Igor S. Antipin; Alexander I. Konovalov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4017 - 4023
• a: 17.366 ± 0.007 Å
• b: 22.2492 ± 0.0015 Å
• c: 29.0904 ± 0.0019 Å
• α: 90 ± 0.05°
• β: 102.22 ± 0.04°
• γ: 90 ± 0.05°
• Cell volume: 10985 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2669
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No