Information card for entry 7041930

Structure parameters

• Formula: C30 H46 N12 O8
• Calculated formula: C30 H46 N12 O8
• SMILES: c1(c(OC)cccc1/C=N/Nc1nnc(N/N=C/c2c(c(ccc2)OC)O)nn1)O.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
• 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: 11.7537 ± 0.0006 Å
• b: 21.3005 ± 0.0011 Å
• c: 7.0776 ± 0.0004 Å
• α: 90°
• β: 91.253 ± 0.003°
• γ: 90°
• Cell volume: 1771.52 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1736
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No