Information card for entry 7112796

Structure parameters

• Formula: C36 H32 Cl3 Dy F18 N4 O10
• Calculated formula: C36 H32 Cl3 Dy F18 N4 O10
• SMILES: C1(C)(C)C(C)(C)N(=C2c3cccc(c3)C3[N](C(C(C)(C)N=3=O)(C)C)=[O][Dy]345([O]=[N]12)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O3)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O5)=O.C(Cl)(Cl)Cl
• Title of publication: Single molecule magnet behaviour in robust dysprosium-biradical complexes.
• Authors of publication: Bernot, Kevin; Pointillart, Fabrice; Rosa, Patrick; Etienne, Mael; Sessoli, Roberta; Gatteschi, Dante
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6458 - 6460
• a: 12.187 ± 0.0004 Å
• b: 13.163 ± 0.0004 Å
• c: 31.581 ± 0.0011 Å
• α: 90.001 ± 0.0014°
• β: 79.831 ± 0.0015°
• γ: 76.741 ± 0.0014°
• Cell volume: 4849.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No