Information card for entry 4333756

Structure parameters

• Formula: C62 H32 Cl6 Er2 F36 N4 O16 S8
• Calculated formula: C62 H32 Cl6 Er2 F36 N4 O16 S8
• Title of publication: High Nuclearity Complexes of Lanthanide Involving Tetrathiafulvalene Ligands: Structural, Magnetic, and PhotoPhysical Properties
• Authors of publication: Fabrice Pointillart; Boris Le Guennic; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1610 - 1620
• a: 18.1845 ± 0.0007 Å
• b: 25.8088 ± 0.0008 Å
• c: 19.7696 ± 0.0008 Å
• α: 90°
• β: 108.026 ± 0.0019°
• γ: 90°
• Cell volume: 8822.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No