Information card for entry 7711471

Structure parameters

• Formula: C60.5 H87.5 N4 O6 Tb
• Calculated formula: C60.5 H87.5 N4 O6 Tb
• Title of publication: Crystalline paramagnetic supramolecular 2D-polymer of tetra(4-pyridyl)porphyrin and terbium(III) complex
• Authors of publication: Nazarov, Dmitry I.; Faraonov, Maxim A.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.4122 ± 0.0003 Å
• b: 27.6488 ± 0.0003 Å
• c: 23.3343 ± 0.0003 Å
• α: 90°
• β: 92.932 ± 0.001°
• γ: 90°
• Cell volume: 12507.7 ± 0.3 ų
• Cell temperature: 104 ± 6 K
• Ambient diffraction temperature: 104.15 K
• Number of distinct elements: 5
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No