Information card for entry 7709711

Structure parameters

• Formula: C57 H50.5 B Cl4.5 Fe N14 O6 Zr
• Calculated formula: C57 H50.5 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: 12.0551 ± 0.0007 Å
• b: 12.7677 ± 0.0007 Å
• c: 22.1716 ± 0.0013 Å
• α: 74.184 ± 0.003°
• β: 85.283 ± 0.003°
• γ: 62.992 ± 0.002°
• Cell volume: 2921.9 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1315
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for significantly intense reflections: 0.2469
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No