Information card for entry 4117281

Structure parameters

• Formula: C116 H174 Co4 N2 O46 P6 Tb6
• Calculated formula: C116 H174 Co4 N2 O46 P6 Tb6
• Title of publication: Co-Ln Mixed-Metal Phosphonate Grids and Cages as Molecular Magnetic Refrigerants
• Authors of publication: Yan-Zhen Zheng; Marco Evangelisti; Floriana Tuna; Richard E. P. Winpenny
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 1057 - 1065
• a: 13.3959 ± 0.0011 Å
• b: 29.13 ± 0.003 Å
• c: 18.0769 ± 0.0015 Å
• α: 90°
• β: 97.55 ± 0.001°
• γ: 90°
• Cell volume: 6992.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No