Information card for entry 7041931

Structure parameters

• Formula: C88.19 H130.58 Gd4 N36 O45.1
• Calculated formula: C88.188 H130.576 Gd4 N36 O45.1
• Title of publication: Single-molecule magnet behaviour in a tetranuclear Dy(III) complex formed from a novel tetrazine-centered hydrazone Schiff base ligand.
• Authors of publication: Lacelle, T.; Brunet, G.; Pialat, A.; Holmberg, R. J.; Lan, Y.; Gabidullin, B.; Korobkov, I.; Wernsdorfer, W.; Murugesu, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2471 - 2478
• a: 11.9318 ± 0.0003 Å
• b: 15.1642 ± 0.0004 Å
• c: 18.9347 ± 0.0006 Å
• α: 104.855 ± 0.002°
• β: 101.124 ± 0.002°
• γ: 107.478 ± 0.002°
• Cell volume: 3020.17 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No