Information card for entry 7707621

Structure parameters

• Formula: C191 H232 Cl6 N16 O16 Sb Tb
• Calculated formula: C191 H230 Cl5.996 N16 O16 Sb 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: 16.3767 ± 0.0002 Å
• b: 24.6005 ± 0.0003 Å
• c: 24.8548 ± 0.0002 Å
• α: 65.8 ± 0.001°
• β: 78.638 ± 0.001°
• γ: 80.674 ± 0.001°
• Cell volume: 8917.33 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No