Information card for entry 7035893

Structure parameters

• Formula: C24 H72 Ce2 Mo10 N2 O50 S12
• Calculated formula: C24 H72 Ce2 Mo10 N2 O50 S12
• Title of publication: Single-molecule magnet behaviour in polynuclear assembly of trivalent cerium ions with polyoxomolybdates.
• Authors of publication: Khélifa, A Ben; Belkhiria, M. Salah; Huang, G.; Freslon, S.; Guillou, O.; Bernot, K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 37
• Pages of publication: 16458 - 16464
• a: 19.8077 ± 0.0002 Å
• b: 20.2005 ± 0.0002 Å
• c: 20.3525 ± 0.0002 Å
• α: 90°
• β: 95.825 ± 0.004°
• γ: 90°
• Cell volume: 8101.5 ± 0.15 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No