Information card for entry 4336899

Structure parameters

• Formula: C120 H230 Gd6 Ni6 O56 P6
• Calculated formula: C120 H230 Gd6 Ni6 O56 P6
• Title of publication: Wells-Dawson Cages as Molecular Refrigerants
• Authors of publication: Eufemio Moreno Pineda; Floriana Tuna; Yan-Zhen Zheng; Richard E. P. Winpenny; Eric J. L. McInnes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13702 - 13707
• a: 16.5791 ± 0.0004 Å
• b: 20.5132 ± 0.0004 Å
• c: 25.5694 ± 0.0005 Å
• α: 84.2046 ± 0.0017°
• β: 89.3037 ± 0.0018°
• γ: 89.3726 ± 0.0018°
• Cell volume: 8650.4 ± 0.3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No