Information card for entry 7040610

Structure parameters

• Formula: C156 H302.5 Cr6 N7.5 O146 S4.5 Tb14
• Calculated formula: C153.75 H195 Cr6 N7.5 O146 S2.91 Tb14
• 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: 24.0037 ± 0.0006 Å
• b: 24.0037 ± 0.0006 Å
• c: 32.042 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15988.5 ± 0.7 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: 0.1237
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No