Information card for entry 7017488

Structure parameters

• Formula: C50 H18 B2 Cl6 Co F24 N6 O6 S6
• Calculated formula: C50 H18 B2 Cl6 Co F24 N6 O6 S6
• SMILES: [Co]12345[N]6O[B]7(O[N]2=C(C(Sc2c(c(c(Cl)c(c2F)F)F)F)=[N]3O[B](O[N]1=C(C=6Sc1c(F)c(F)c(Cl)c(c1F)F)Sc1c(c(c(Cl)c(c1F)F)F)F)(O[N]5=C(C(Sc1c(c(c(Cl)c(c1F)F)F)F)=[N]4O7)Sc1c(c(c(Cl)c(c1F)F)F)F)CCCC)Sc1c(c(c(Cl)c(c1F)F)F)F)CCCC
• Title of publication: Formation of the second superhydrophobic shell around an encapsulated metal ion: synthesis, X-ray structure and electrochemical study of the clathrochelate and bis-clathrochelate iron(II) and cobalt(II, III) dioximates with ribbed perfluoroarylsulfide substituents.
• Authors of publication: Voloshin, Y. Z.; Belaya, I. G.; Belov, A. S.; Platonov, V. E.; Maksimov, A. M.; Vologzhanina, A. V.; Starikova, Z. A.; Dolganov, A. V.; Novikov, V. V.; Bubnov, Y. N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 737 - 746
• a: 16.399 ± 0.003 Å
• b: 17.273 ± 0.003 Å
• c: 23.26 ± 0.004 Å
• α: 70.408 ± 0.003°
• β: 86.475 ± 0.003°
• γ: 86.659 ± 0.003°
• Cell volume: 6190.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No