Information card for entry 7711421

Structure parameters

• Formula: C24 H28 Br2 Gd Mn N5 O13
• Calculated formula: C24 H28 Br2 Gd Mn N5 O13
• SMILES: [Mn]1234[N]5(Cc6c7c(C=[O][Gd]89%10([O]=N(=O)O8)([O]=N(=O)O9)([O]37)([O]=C(C)O2)[O]4c2c(C[N]1(CC5)C)cc(Br)cc2C=[O]%10)cc(Br)c6)C.C(#N)C.O
• 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: 13.5996 ± 0.0004 Å
• b: 15.0087 ± 0.0004 Å
• c: 15.709 ± 0.0005 Å
• α: 90°
• β: 90.733 ± 0.001°
• γ: 90°
• Cell volume: 3206.14 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No