Information card for entry 4336896

Structure parameters

• Formula: C28 H31.5 Cu1.5 N9.5 O5.5 Tb0.5 W0.5
• Calculated formula: C28 H31.5 Cu1.5 N9.5 O5.5 Tb0.5 W0.5
• 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: 14.4966 ± 0.0008 Å
• b: 15.1538 ± 0.0008 Å
• c: 17.8509 ± 0.0009 Å
• α: 73.872 ± 0.003°
• β: 81.949 ± 0.003°
• γ: 62.803 ± 0.002°
• Cell volume: 3350.2 ± 0.3 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No