Information card for entry 4309654

Structure parameters

• Formula: C52 H64 Fe2 N20 O16 Pr2
• Calculated formula: C52 H64 Fe2 N20 O16 Pr2
• SMILES: c1[n]2c(c3cccc[n]3[Pr]32([n]2ccccc2c2[n]3cccc2)([N]#C[Fe](C#[N][Pr]23([n]4ccccc4c4cccc[n]24)([n]2ccccc2c2[n]3cccc2)([OH2])([OH2])([OH2])[OH2])(C#N)(C#N)(C#N)C#N)([OH2])([OH2])([OH2])[OH2])ccc1.N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O.O.O.O.O
• Title of publication: Magnetic Properties of Cyano-Bridged Ln3±M3+ Complexes. Part I: Trinuclear Complexes (Ln3+= La, Ce, Pr, Nd, Sm; M3+= FeLS, Co) with bpy as Blocking Ligand
• Authors of publication: Albert Figuerola; Joan Ribas; Miquel Llunell; David Casanova; Miguel Maestro; Santiago Alvarez; Carmen Diaz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6939 - 6948
• a: 10.1882 ± 0.0005 Å
• b: 11.4854 ± 0.0006 Å
• c: 15.637 ± 0.0008 Å
• α: 87.157 ± 0.001°
• β: 87.596 ± 0.001°
• γ: 66.349 ± 0.001°
• Cell volume: 1673.53 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No