Information card for entry 1564105

Structure parameters

• Formula: C193 H184 Cl3 F108 N10 O53 Tb6
• Calculated formula: C193 H184 Cl3 F108 N10 O53 Tb6
• Title of publication: Single-Chain Magnet Behavior in a Finite Linear Hexanuclear Molecule
• Authors of publication: Houard, Félix V.; Bernot, Kevin; Mannini, Matteo; Guillou, Olivier; Daiguebonne, Carole; Calvez, Guillaume; Le Guennic, Boris; Guizouarn, Thierry; Suffren, Yan; Gendron, Frédéric; Dorcet, Vincent
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 27.995 ± 0.004 Å
• b: 22.437 ± 0.003 Å
• c: 41.691 ± 0.005 Å
• α: 90°
• β: 94.178 ± 0.004°
• γ: 90°
• Cell volume: 26118 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No