Information card for entry 4309655

Structure parameters

• Formula: C52 H64 Fe2 N20 Nd2 O16
• Calculated formula: C52 H64 Fe2 N20 Nd2 O16
• SMILES: c1cccc2c3[n](cccc3)[Nd]3([n]12)([n]1ccccc1c1[n]3cccc1)([N]#C[Fe](C#[N][Nd]12([n]3ccccc3c3cccc[n]13)([n]1ccccc1c1[n]2cccc1)([OH2])([OH2])([OH2])[OH2])(C#N)(C#N)(C#N)C#N)([OH2])([OH2])([OH2])[OH2].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: 10.1849 ± 0.0013 Å
• b: 11.4934 ± 0.0014 Å
• c: 15.618 ± 0.002 Å
• α: 87.131 ± 0.002°
• β: 87.587 ± 0.002°
• γ: 66.321 ± 0.002°
• Cell volume: 1671.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0276
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No