Information card for entry 7017490

Structure parameters

• Formula: C92 H18 B2 Co3 F60 N12 O12 S12
• Calculated formula: C92 H18 B2 Co3 F60 N12 O12 S12
• 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: 13.3708 ± 0.0014 Å
• b: 14.1004 ± 0.0015 Å
• c: 16.1554 ± 0.0018 Å
• α: 75.206 ± 0.002°
• β: 79.49 ± 0.002°
• γ: 76.152 ± 0.002°
• Cell volume: 2835.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No