Information card for entry 7040609

Structure parameters

• Formula: C153.9 H271.8 Cr6 Dy14 N7.5 O147 S4.95
• Calculated formula: C153.9 H204 Cr6 Dy14 N7.5 O147.01 S2.4
• Title of publication: Supramolecular 3d-4f single-molecule magnet architectures.
• Authors of publication: Schmitz, Sebastian; van Leusen, Jan; Izarova, Natalya V.; Lan, Yanhua; Wernsdorfer, Wolfgang; Kögerler, Paul; Monakhov, Kirill Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 41
• Pages of publication: 16148 - 16152
• a: 23.9817 ± 0.0004 Å
• b: 23.9817 ± 0.0004 Å
• c: 31.9326 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15904.7 ± 0.4 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No