Information card for entry 4304081

Structure parameters

• Formula: C46 H44 B2 F2 Fe N9 O10.5 S2
• Calculated formula: C46 H44 B2 F2 Fe N9 O10.5 S2
• Title of publication: Interaction of Dichloride Iron(II) Clathrochelate with Dimercaptomaleodinitrile: Synthesis of the Precursor Monoribbed-Functionalized Phthalocyaninoclathrochelates and the Unexpected Formation of a New Thiophene-Containing Heterocyclic System in the Ribbed Chelate Fragment of the Clathrochelate Framework
• Authors of publication: Yan Z. Voloshin; Oleg A. Varzatskii; Alexander S. Belov; Zoya A. Starikova; Kyrill Y. Suponitsky; Valentin V. Novikov; Yurii N. Bubnov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2155 - 2161
• a: 11.9309 ± 0.001 Å
• b: 11.9718 ± 0.001 Å
• c: 19.2325 ± 0.0016 Å
• α: 80.312 ± 0.002°
• β: 80.917 ± 0.002°
• γ: 68.869 ± 0.002°
• Cell volume: 2511.7 ± 0.4 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: 0.1248
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No