Information card for entry 7716982

Structure parameters

• Formula: C32 H56 Cu13 Gd2 N20 O52
• Calculated formula: C32 H56 Cu13 Gd2 N20 O52
• Title of publication: Magnetocaloric Effect in 1D-Polymers Bearing 15-Metallacrown-5 {GdCu5}3+ Units and Anionic Oxalate Complexes
• Authors of publication: Pavlishchuk, Anna; Kolotilov, Sergey V.; Zeller, Matthias; Pavlishchuk, Vitaly; Pointillart, Fabrice; Addison, Anthony W.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.803 ± 0.002 Å
• b: 13.995 ± 0.004 Å
• c: 16.256 ± 0.004 Å
• α: 92.029 ± 0.009°
• β: 99.867 ± 0.009°
• γ: 104.771 ± 0.009°
• Cell volume: 1901.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.2173
• Residual factor for significantly intense reflections: 0.1273
• Weighted residual factors for significantly intense reflections: 0.3373
• Weighted residual factors for all reflections included in the refinement: 0.4062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No