Information card for entry 4318029

Structure parameters

• Formula: C24 H36 Fe Gd N5 O16
• Calculated formula: C24 H36 Fe Gd N5 O16
• SMILES: [Gd]123456([O]7[Fe]89([N](=Cc%10c7c(ccc%10)[O]1C)CC(C[N]9=Cc1c([O]28)c(ccc1)[O]3C)(C)C)[OH]C)(ON(=[O]4)=O)([O]=N(=O)O5)ON(=[O]6)=O.OC.OC
• Title of publication: Dinuclear (FeII, GdIII) Complexes Deriving from Hexadentate Schiff Bases: Synthesis, Structure, and Mössbauer and Magnetic Properties
• Authors of publication: Jean-Pierre Costes; Juan Modesto Clemente-Juan; Françoise Dahan; Frédéric Dumestre; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2886 - 2891
• a: 22.141 ± 0.003 Å
• b: 9.4159 ± 0.0016 Å
• c: 15.2075 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3170.4 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No