Information card for entry 7039343

Structure parameters

• Formula: C60 H68 Gd N9 Ni2 O16
• Calculated formula: C60 H68 Gd N9 Ni2 O16
• 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: 13.2375 ± 0.0006 Å
• b: 15.1226 ± 0.0009 Å
• c: 17.6501 ± 0.001 Å
• α: 72.987 ± 0.002°
• β: 89.432 ± 0.003°
• γ: 66.867 ± 0.002°
• Cell volume: 3084.8 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.115
• 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