Information card for entry 7709713

Structure parameters

• Formula: C54.5 H43.5 B Cl6 Fe N14 O6 Zr
• Calculated formula: C53.5 H42.5 B Cl4.5 Fe N14 O6 Zr
• Title of publication: Hybrid Iron(II) Phthalocyaninoclathrochelates with Terminal Reactive Vinyl Group and their Organo-Inorganic Polymeric Derivatives: Synthetic Approaches, X-ray Structures and Copolymerization with Styrene
• Authors of publication: Dudkin, Semyon V.; Chuprin, Alexander S.; Belova, Svetlana; Vologzhanina, Anna V. V.; Zubavichus, Yan V.; Kaletina, Polina M.; Shundrina, Inna; Bagryanskaya, Elena; Voloshin, Yan Z.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.061 ± 0.003 Å
• b: 13.926 ± 0.003 Å
• c: 17.455 ± 0.004 Å
• α: 73.63 ± 0.03°
• β: 87.99 ± 0.03°
• γ: 76.02 ± 0.03°
• Cell volume: 2954.1 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0828
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.80246 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No