Information card for entry 1520007

Structure parameters

• Formula: C62 H132 Cu2 Gd2 N2 O26
• Calculated formula: C62 H132 Cu2 Gd2 N2 O26
• SMILES: [Gd]123456(OC(=[O]1)C(C)(C)C)([O](C(=[O]4)C(C)(C)C)[Cu]14([OH]7[Gd]89%10%11(OC(=[O]8)C(C)(C)C)([O](=C(O%10)C(C)(C)C)[Cu]7([OH]61)([O]=C(O9)C(C)(C)C)[O]=C(O3)C(C)(C)C)([O]=C(O4)C(C)(C)C)[O]=C(O%11)C(C)(C)C)[O]=C(O2)C(C)(C)C)[O]=C(O5)C(C)(C)C.O.O.O.O.[NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C
• 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: 13.447 ± 0.0004 Å
• b: 22.2429 ± 0.0006 Å
• c: 14.1737 ± 0.0004 Å
• α: 90°
• β: 103.936 ± 0.003°
• γ: 90°
• Cell volume: 4114.6 ± 0.2 ų
• Cell temperature: 100.3 ± 0.6 K
• Ambient diffraction temperature: 100.3 ± 0.6 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No