Information card for entry 7709712

Structure parameters

• Formula: C60.12 H49.12 B Cl6.38 Fe N14 O6 Zr
• Calculated formula: C60.125 H49.125 B Cl6.375 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: 12.875 ± 0.003 Å
• b: 14.749 ± 0.003 Å
• c: 19.981 ± 0.004 Å
• α: 101.3 ± 0.03°
• β: 104.72 ± 0.03°
• γ: 96.6 ± 0.03°
• Cell volume: 3543.9 ± 1.5 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: 0.1003
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.80246 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No