Information card for entry 1512751

Structure parameters

• Formula: C101 H151 B2 Fe N6 O12 S6
• Calculated formula: C99.5 H144 B2 Fe N6 O12 S6
• Title of publication: Structure, spectral and electrochemical properties of the 2,6-di-tert-butylphenol-functionalized iron and cobalt(II) clathrochelates and their phenylsulfide analogs
• Authors of publication: Alexander S. Belov; Irina G. Belaya; Valentin V. Novikov; Zoya A. Starikova; Ernest V. Polshin; Alexander V. Dolganov; Ekaterina G. Lebed
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 269 - 281
• a: 14.37 ± 0.004 Å
• b: 15.159 ± 0.005 Å
• c: 30.681 ± 0.008 Å
• α: 80.973 ± 0.007°
• β: 89.983 ± 0.005°
• γ: 61.829 ± 0.005°
• Cell volume: 5798 ± 3 ų
• Cell temperature: 393 ± 2 K
• Ambient diffraction temperature: 393 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No