Information card for entry 4312939

Structure parameters

• Formula: C18 H36 Fe N10 O8 Pr
• Calculated formula: C18 H36 Fe N10 O8 Pr
• SMILES: [Pr]([OH2])([OH2])([OH2])([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.O
• Title of publication: Synthesis and Characterization of Heterodinuclear Ln3±Fe3+ and Ln3±Co3+ Complexes, Bridged by Cyanide Ligand (Ln3+= Lanthanide Ions). Nature of the Magnetic Interaction in the Ln3±Fe3+ Complexes
• Authors of publication: Albert Figuerola; Carmen Diaz; Joan Ribas; Vassilis Tangoulis; Jaume Granell; Francesc Lloret; José Mahía; Miguel Maestro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 641 - 649
• a: 17.5319 ± 0.0003 Å
• b: 8.8811 ± 0.0001 Å
• c: 19.8373 ± 0.0001 Å
• α: 90°
• β: 95.795 ± 0.001°
• γ: 90°
• Cell volume: 3072.93 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No