Information card for entry 4336897

Structure parameters

• Formula: C54.5 H68.5 Cu3 N18.5 O14 Tb W
• Calculated formula: C54.5 H68.5 Cu3 N18.5 O14 Tb W
• Title of publication: Design of One-Dimensional Coordination Networks from a Macrocyclic {3d-4f} Single-Molecule Magnet Precursor Linked by [W(CN)8]3- Anions
• Authors of publication: Sébastien Dhers; Humphrey L. C. Feltham; Rodolphe Clérac; Sally Brooker
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13685 - 13691
• a: 22.615 ± 0.007 Å
• b: 14.423 ± 0.004 Å
• c: 19.72 ± 0.006 Å
• α: 90°
• β: 92.276 ± 0.014°
• γ: 90°
• Cell volume: 6427 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No