Information card for entry 7039342

Structure parameters

• Formula: C60 H68 N9 Ni2 O16 Tb
• Calculated formula: C60 H68 N9 Ni2 O16 Tb
• Title of publication: Rare single-molecule magnets with six-coordinate Ln(III) ions exhibiting a trigonal antiprism configuration.
• Authors of publication: Yao, Min-Xia; Zhu, Zhao-Xia; Lu, Xing-Yun; Deng, Xiao-Wei; Jing, Su
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10689 - 10695
• a: 13.2669 ± 0.0007 Å
• b: 15.1167 ± 0.0007 Å
• c: 17.6076 ± 0.001 Å
• α: 73.3906 ± 0.0017°
• β: 89.3892 ± 0.0019°
• γ: 66.6355 ± 0.0016°
• Cell volume: 3085.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No