Information card for entry 7711427

Structure parameters

• Formula: C27 H40 Gd Mn N5 O12
• Calculated formula: C27 H40 Gd Mn N5 O12
• SMILES: [Gd]123456(ON(=[O]1)=O)([O]=N(=O)O2)[O]=C(O[Mn]1278[O]4c4c([O]3C)cc(cc4C[N]1(C)CC[N]2(C)CC[N]7(C)Cc1c([O]58)c([O]6C)cc(C)c1)C)C
• Title of publication: Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.
• Authors of publication: Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 34
• Pages of publication: 12954 - 12967
• a: 11.3864 ± 0.0007 Å
• b: 14.6689 ± 0.0007 Å
• c: 20.1339 ± 0.0001 Å
• α: 90°
• β: 101.147 ± 0.002°
• γ: 90°
• Cell volume: 3299.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0859
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No