Information card for entry 7716981

Structure parameters

• Formula: C32 H87.6 Cu13 Gd2 N20 O67.8
• Calculated formula: C32 H87.596 Cu13 Gd2 N20 O67.798
• 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: 9.293 ± 0.0013 Å
• b: 14.602 ± 0.002 Å
• c: 16.484 ± 0.002 Å
• α: 97.361 ± 0.002°
• β: 100.37 ± 0.002°
• γ: 99.751 ± 0.002°
• Cell volume: 2139.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No