Information card for entry 4117278

Structure parameters

• Formula: C108 H176 Co8 Gd2 N6 O42 P4
• Calculated formula: C108 H176 Co8 Gd2 N6 O42 P4
• 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: 16.4875 ± 0.001 Å
• b: 31.7246 ± 0.0018 Å
• c: 26.0325 ± 0.0016 Å
• α: 90°
• β: 99.152 ± 0.001°
• γ: 90°
• Cell volume: 13443.2 ± 1.4 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: 0.0738
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No