Information card for entry 4117269

Structure parameters

• Formula: C104 H214 Co6 Er8 N0 O62 P6
• Calculated formula: C104 H214 Co6 Er8 O62 P6
• 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: 29.342 ± 0.004 Å
• b: 17.0426 ± 0.0017 Å
• c: 34.304 ± 0.003 Å
• α: 90°
• β: 105.356 ± 0.003°
• γ: 90°
• Cell volume: 16542 ± 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: 0.1117
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No