Information card for entry 7043743

Structure parameters

• Formula: C72 H124 Gd8 N12 Ni6 O74 S12
• Calculated formula: C72 H83.9996 Gd8 N12 Ni6 O52 S12
• Title of publication: A novel alb metalloring organic framework with a {Ni12Gd24} cage exhibiting significant magnetocaloric effect
• Authors of publication: Feng, Ya-Nan; Tian, Chong-Bin; Du, Shaowu
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 17.551 ± 0.004 Å
• b: 17.551 ± 0.004 Å
• c: 12.722 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3393.8 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No