Information card for entry 7107185

Structure parameters

• Formula: C81 H66 Cl6 Dy2 F18 O16 S10
• Calculated formula: C81 H66 Cl6 Dy2 F18 O16 S10
• Title of publication: A single molecule magnet behaviour in a D3h symmetry Dy(III) complex involving a quinone-tetrathiafulvalene-quinone bridge
• Authors of publication: Fabrice Fabrice Pointillart; Svetlana Klementieva; Viacheslav Kuropatov; Yann Le Gal; Stephane Golhen; Olivier Cador; Vladimir Cherkasov; Lahcene Ouahab
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 714
• a: 26.443 ± 0.005 Å
• b: 22.306 ± 0.004 Å
• c: 17.858 ± 0.003 Å
• α: 90 ± 0.005°
• β: 114.895 ± 0.006°
• γ: 90 ± 0.005°
• Cell volume: 9555 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2294
• Weighted residual factors for all reflections included in the refinement: 0.2838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No