Information card for entry 7013057

Structure parameters

• Formula: C39 H52 Gd Mn2 N9 O28
• Calculated formula: C39 H52 Gd Mn2 N9 O28
• SMILES: [Gd]1234([O]=N(=O)O1)(ON(=[O]2)=O)([O]=N(=O)O3)(ON(=[O]4)=O)(ON(=O)=O)[OH]C.[Mn]123(Oc4c(OC)cccc4C=[N]2CCC[N]3=Cc2c(c(OC)ccc2)O1)([OH2])[OH2].[Mn]123(Oc4c(OC)cccc4C=[N]2CCC[N]3=Cc2c(c(OC)ccc2)O1)([OH2])[OH2]
• Title of publication: Reaction of a manganese(III)-Schiff base complex with gadolinium nitrate: synthesis, structure and magnetic properties of an ionic species [LMn(H2O)2]2[Gd(NO3)5(MeOH)](H2L = 1,3-bis((3-methoxysalicylidene)amino)-2,2'-dimethylpropane)
• Authors of publication: Jean-Pierre Costes; Françoise Dahan; Bruno Donnadieu; Maria-Isabel Fernandez-Garcia; Maria-Jesus Rodriguez-Douton
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3776 - 3779
• a: 7.6348 ± 0.0004 Å
• b: 25.2598 ± 0.0013 Å
• c: 26.1515 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5043.4 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No