Information card for entry 4345166

Structure parameters

• Formula: C218 H100 Cu3 F48 N29 P6
• Calculated formula: C218 H100 Cu3 F48 N29 P6
• Title of publication: The Salts of Copper Octafluoro- and Hexadecafluorophthalocyanines Containing [Cu(II)(F8Pc)(4-)](2-) Dianions and [CuF16Pc](-) Monoanions.
• Authors of publication: Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Ishikawa, Manabu; Faraonov, Maxim A.; Khasanov, Salavat S.; Litvinov, Alexey L.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 1804 - 1813
• a: 22.847 ± 0.001 Å
• b: 9.9281 ± 0.0003 Å
• c: 40.385 ± 0.001 Å
• α: 90°
• β: 97.718 ± 0.005°
• γ: 90°
• Cell volume: 9077.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.84344 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No