Information card for entry 4341684

Structure parameters

• Formula: C142 H202 Cl8 Cu4 N6 O66 Tb12
• Calculated formula: C142 H154 Cl7.98 Cu4 N6 O65.96 Tb12
• Title of publication: Synthesis, Structure, and Magnetism of a Family of Heterometallic {Cu2Ln7} and {Cu4Ln12} (Ln = Gd, Tb, and Dy) Complexes: The Gd Analogues Exhibiting a Large Magnetocaloric Effect
• Authors of publication: Langley, Stuart K.; Moubaraki, Boujemaa; Tomasi, Corrado; Evangelisti, Marco; Brechin, Euan K.; Murray, Keith S.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Pages of publication: 141119100121008
• a: 17.84 ± 0.004 Å
• b: 17.86 ± 0.004 Å
• c: 18.51 ± 0.004 Å
• α: 64.24 ± 0.03°
• β: 64.98 ± 0.03°
• γ: 86.83 ± 0.03°
• Cell volume: 4753 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71078 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No