Information card for entry 1520017

Structure parameters

• Formula: C66 H128 Gd2 N4 Ni2 O22
• Calculated formula: C66 H128 Gd2 N4 Ni2 O22
• Title of publication: Systematic Study of a Family of Butterfly-Like {M ₂ Ln ₂ } Molecular Magnets (M = Mg ^II , Mn ^III , Co ^II , Ni ^II , and Cu ^II ; Ln = Y ^III , Gd ^III , Tb ^III , Dy ^III , Ho ^III , and Er ^III )
• Authors of publication: Moreno Pineda, Eufemio; Chilton, Nicholas F.; Tuna, Floriana; Winpenny, Richard E. P.; McInnes, Eric J. L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5930 - 5941
• a: 15.9042 ± 0.0005 Å
• b: 12.969 ± 0.0003 Å
• c: 21.7691 ± 0.0006 Å
• α: 90°
• β: 111.352 ± 0.003°
• γ: 90°
• Cell volume: 4181.9 ± 0.2 ų
• Cell temperature: 100.3 ± 0.1 K
• Ambient diffraction temperature: 100.3 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No