Information card for entry 7705703

Structure parameters

• Formula: C50 H44 Cu F8 N10 Na O6
• Calculated formula: C50 H44 Cu F8 N10 Na O6
• 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: 8.5816 ± 0.0002 Å
• b: 18.3478 ± 0.0005 Å
• c: 19.5899 ± 0.0005 Å
• α: 117.093 ± 0.003°
• β: 91.791 ± 0.002°
• γ: 103.115 ± 0.002°
• Cell volume: 2641.99 ± 0.14 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No