Information card for entry 4508418

Structure parameters

• Formula: C12 H19 Gd2 N3 O14
• Calculated formula: C12 H19 Gd2 N3 O14
• Title of publication: 3D GdIIIComplex Containing Gd16Macrocycles Exhibiting Large Magnetocaloric Effect
• Authors of publication: Jia, Ji-Min; Liu, Sui-Jun; Cui, Yu; Han, Song-De; Hu, Tong-Liang; Bu, Xian-He
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 4631
• a: 25.83 ± 0.004 Å
• b: 25.83 ± 0.004 Å
• c: 11.945 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7970 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No