Information card for entry 7705702

Structure parameters

• Formula: C68 H72 Cu F16 N12 Na2 O12
• Calculated formula: C68 H72 Cu F16 N12 Na2 O12
• Title of publication: Effect of reduction on the molecular structure and optical and magnetic properties of fluorinated copper(II) phthalocyanines.
• Authors of publication: Konarev, Dmitri V.; Faraonov, Maxim A.; Batov, Mikhail S.; Andronov, Mikhail G.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16821 - 16829
• a: 22.0273 ± 0.0005 Å
• b: 11.7156 ± 0.0002 Å
• c: 30.592 ± 0.0007 Å
• α: 90°
• β: 108.615 ± 0.002°
• γ: 90°
• Cell volume: 7481.7 ± 0.3 ų
• Cell temperature: 117.6 ± 0.9 K
• Ambient diffraction temperature: 118 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No