Information card for entry 7044009

Structure parameters

• Chemical name: [Pc2Y0.95Tb0.05]BF4
• Formula: C64 H32 B F4 N16 Tb0.05 Y0.95
• Calculated formula: C64 H32 B F4 N16 Tb0.05 Y0.95
• 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: 19.5834 ± 0.0007 Å
• b: 19.5834 ± 0.0007 Å
• c: 6.489 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2488.59 ± 0.15 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• 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: 0.027
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No