Information card for entry 7039341

Structure parameters

• Formula: C65 H78 Cl Dy N8 Ni2 O17.5
• Calculated formula: C65 H78 Cl Dy N8 Ni2 O17.654
• 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: 13.256 ± 0.006 Å
• b: 15.998 ± 0.007 Å
• c: 17.783 ± 0.008 Å
• α: 71.046 ± 0.007°
• β: 88.592 ± 0.007°
• γ: 68.988 ± 0.006°
• Cell volume: 3312 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1333
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No