Information card for entry 7109155

Structure parameters

• Formula: C26 H40 Gd Mn N6 O14
• Calculated formula: C26 H40 Gd Mn N6 O14
• SMILES: [Gd]123456([O](C)c7c8[O]1[Mn]19%10([N](Cc8cc(C)c7)(C)CC[N]1(C)CC[N]9(C)Cc1c([O]2%10)c([O]3C)cc(C)c1)OC)(ON(=[O]4)=O)(ON(=[O]5)=O)ON(=[O]6)=O
• Title of publication: A ferromagnetically coupled diphenoxo-bridged Gd3±Mn2+ dinuclear complex with a large magneto-caloric effect
• Authors of publication: Enrique Colacio; Jose Ruiz; Giulia Lorusso; Euan K. Brechin; Marco Evangelisti
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3845
• a: 12.7772 ± 0.0009 Å
• b: 16.9237 ± 0.0011 Å
• c: 15.5766 ± 0.001 Å
• α: 90°
• β: 92.7 ± 0.003°
• γ: 90°
• Cell volume: 3364.5 ± 0.4 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: 0.0349
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0657
• 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: No
• Has Fobs: No