Information card for entry 7045218

Structure parameters

• Formula: C84 H170 Mo12 N23 Nd3 O71
• Calculated formula: C84 H170 Mo12 N23 Nd3 O71
• Title of publication: A novel trigonal propeller-shaped hybrid tri-neodymium-polyoxometalate exhibiting single-molecule magnet behavior.
• Authors of publication: Zhang, Hai-Long; Wu, Xiao-Yuan; Liao, Jian-Zhen; Kuang, Xiao-Fei; Yang, Wenbin; Lu, Can-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1796 - 1800
• a: 35.7841 ± 0.0013 Å
• b: 18.6471 ± 0.0006 Å
• c: 23.5985 ± 0.0007 Å
• α: 90°
• β: 120.26 ± 0.003°
• γ: 90°
• Cell volume: 13601.1 ± 0.9 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No