Information card for entry 4342718

Structure parameters

• Formula: C332.81 H442.69 Cd2 N40 O48.54 Tb2
• Calculated formula: C332.82 H442.72 Cd2 N40 O48.54 Tb2
• Title of publication: Effects of f-f Interactions on the Single-Molecule Magnet Properties of Terbium(III)-Phthalocyaninato Quintuple-Decker Complexes.
• Authors of publication: Horii, Yoji; Katoh, Keiichi; Yasuda, Nobuhiro; Breedlove, Brian K.; Yamashita, Masahiro
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3297 - 3305
• a: 24.213 ± 0.002 Å
• b: 38.234 ± 0.004 Å
• c: 35.147 ± 0.003 Å
• α: 90°
• β: 99.449 ± 0.007°
• γ: 90°
• Cell volume: 32096 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2265
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2758
• Weighted residual factors for all reflections included in the refinement: 0.3616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.6868 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No