Information card for entry 1512841

Structure parameters

• Formula: C48 H52 Er Mo12 N8 O50 P
• Calculated formula: C48 H48 Er Mo12 N8 O48 P
• Title of publication: New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization
• Authors of publication: Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 770 - 775
• a: 16.876 ± 0.002 Å
• b: 16.876 ± 0.002 Å
• c: 28.208 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8034 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No