Information card for entry 7108761

Structure parameters

• Formula: C79.5 H57 Cl3 F12 N4 O16 S28 Yb2
• Calculated formula: C79.38 H56.76 Cl2.76 F12 N4 O16 S28 Yb2
• Title of publication: A redox-active luminescent ytterbium based single molecule magnet
• Authors of publication: Fabrice Pointillart; Boris Le Guennic; Stephane Golhen; Olivier Cador; Olivier Maury; Lahcene Ouahab
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 615
• a: 11.5275 ± 0.0005 Å
• b: 13.2193 ± 0.0005 Å
• c: 19.2725 ± 0.0008 Å
• α: 97.135 ± 0.002°
• β: 95.251 ± 0.002°
• γ: 96.738 ± 0.002°
• Cell volume: 2877.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No