Information card for entry 7711423

Structure parameters

• Formula: C44 H52 Gd Mn N7 O12
• Calculated formula: C44 H52 Gd Mn N7 O12
• SMILES: [Mn]12345[O]6[Gd]789%10([O](C)c%11c(c(cc(C)c%11)C[N]1(C)CC[N]2(C)CC[N]3(C)Cc1c6c(cc(C)c1)[O]9C)[O]47)([O]=N(=O)O%10)([O]=N(=O)O8)[O]=C(c1c2ccccc2cc2ccccc12)O5.C(#N)C.C(#N)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: 13.4699 ± 0.0019 Å
• b: 23.62 ± 0.003 Å
• c: 14.908 ± 0.002 Å
• α: 90°
• β: 102.773 ± 0.0016°
• γ: 90°
• Cell volume: 4625.7 ± 1.1 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: 0.0262
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No