Information card for entry 7700931

Structure parameters

• Formula: C60 H48 N2 O16 S6 Tb2
• Calculated formula: C60 H48 N2 O16 S6 Tb2
• Title of publication: Exploration of SMM behavior of Ln₂ complexes derived from thianaphthene-2-carboxylic acid.
• Authors of publication: Biswas, Soumava; Mandal, Leena; Shen, Yongbing; Yamashita, Masahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14096 - 14102
• a: 8.656 ± 0.003 Å
• b: 25.176 ± 0.008 Å
• c: 14.15 ± 0.005 Å
• α: 90°
• β: 106.742 ± 0.004°
• γ: 90°
• Cell volume: 2952.9 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.1114
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No