Information card for entry 7044008

Structure parameters

• Chemical name: [Pc2Y]BF4
• Formula: C64 H32 B F4 N16 Y
• Calculated formula: C64 H32 B F4 N16 Y
• Title of publication: Observation of magnetic interactions between localized 4f- and itinerant π-electrons in a single crystal of cationic bisphthalocyanine complexes containing diluted spin centres
• Authors of publication: Fukuda, Takamitsu; Onodera, Shun; Watanabe, Hirohito; Shirasaki, Kenji; Fuyuhiro, Akira; Yamamura, Tomoo; Ishikawa, Naoto
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.6812 ± 0.0006 Å
• b: 19.6812 ± 0.0006 Å
• c: 6.43784 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2493.69 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No