Information card for entry 4117287

Structure parameters

• Formula: C112 H222 Co8 Er8 N4 O73 P8
• Calculated formula: C112 H222 Co8 Er8 N4 O73 P8
• 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: 35.5392 ± 0.0015 Å
• b: 20.4949 ± 0.0008 Å
• c: 25.0246 ± 0.001 Å
• α: 90°
• β: 100.996 ± 0.001°
• γ: 90°
• Cell volume: 17892.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No