Information card for entry 7716983

Structure parameters

• Formula: C16 H56.05 Cr Cu5 Gd N10 O40.02
• Calculated formula: C16 H56.046 Cr Cu5 Gd N10 O40.023
• 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: 13.547 ± 0.003 Å
• b: 25.425 ± 0.006 Å
• c: 14.885 ± 0.003 Å
• α: 90°
• β: 105.569 ± 0.003°
• γ: 90°
• Cell volume: 4938.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No