Information card for entry 7707622

Structure parameters

• Formula: C144 H196 N17 O16 Tb
• Calculated formula: C144 H196 N17 O16 Tb
• Title of publication: Structural, magnetic and theoretical analyses of anionic and cationic phthalocyaninato-terbium(III) double-decker complexes: magnetic relaxation <i>via</i> higher ligand-field sublevels enhanced by oxidation.
• Authors of publication: Horii, Yoji; Damjanović, Marko; Katoh, Keiichi; Yamashita, Masahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 28
• Pages of publication: 9719 - 9724
• a: 20.6206 ± 0.0004 Å
• b: 30.5969 ± 0.0005 Å
• c: 23.4609 ± 0.0005 Å
• α: 90°
• β: 101.534 ± 0.002°
• γ: 90°
• Cell volume: 14503.2 ± 0.5 ų
• Cell temperature: 263 K
• Ambient diffraction temperature: 263 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No