Information card for entry 7033822

Structure parameters

• Formula: C24 H33 Cu Fe N8 O11.5 Tb
• Calculated formula: C24 H33 Cu Fe N8 O11.5 Tb
• SMILES: [Tb]123([O]4[Cu]56[O]2c2c([O]1C)cccc2C=[N]6CC[N]5=Cc1cccc(c14)[O]3C)([OH2])([OH2])([OH2])[OH2].N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O
• Title of publication: A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.
• Authors of publication: Bridonneau, N.; Gontard, G.; Marvaud, V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 11
• Pages of publication: 5170 - 5178
• a: 25.6467 ± 0.0006 Å
• b: 11.9352 ± 0.0003 Å
• c: 22.8151 ± 0.0006 Å
• α: 90°
• β: 108.669 ± 0.002°
• γ: 90°
• Cell volume: 6616.2 ± 0.3 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.0418
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No