Information card for entry 4336900

Structure parameters

• Formula: C94 H176 Gd6 N2 Ni6 O56 P6
• Calculated formula: C94 H176 Gd6 N2 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: 15.4495 ± 0.0005 Å
• b: 16.0319 ± 0.0005 Å
• c: 16.3513 ± 0.0006 Å
• α: 104.512 ± 0.003°
• β: 101.152 ± 0.003°
• γ: 100.934 ± 0.003°
• Cell volume: 3723.8 ± 0.2 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No