Information card for entry 4304965

Structure parameters

• Formula: C61 H65 Cl Co F24 N14 O P4
• Calculated formula: C61 H65 Cl Co F24 N14 O P4
• SMILES: [Co]12345[n]6c(ccc(C[n+]7ccn(Cc8c(c(c(c(c8CC)Cn8cc[n+](c8)Cc8ccc(c9cccc[n]59)[n]4c8)CC)Cn4cc[n+](c4)Cc4ccc(c5cccc[n]35)[n]2c4)CC)c7)c6)c2cccc[n]12.[Cl-].O.N#CC.N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Redox Active Cage for the Electrochemical Sensing of Anions
• Authors of publication: Valeria Amendola; Massimo Boiocchi; Benoît Colasson; Luigi Fabbrizzi; Enrico Monzani; Maria Jesús Douton-Rodriguez; Cristina Spadini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4808 - 4816
• a: 11.294 ± 0.0012 Å
• b: 15.2088 ± 0.0016 Å
• c: 25.1876 ± 0.0014 Å
• α: 79.766 ± 0.003°
• β: 88.132 ± 0.005°
• γ: 85.28 ± 0.004°
• Cell volume: 4242.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.208
• Residual factor for significantly intense reflections: 0.1335
• Weighted residual factors for significantly intense reflections: 0.3701
• Weighted residual factors for all reflections included in the refinement: 0.4104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No