Information card for entry 4309653

Structure parameters

• Formula: C52 H64 Ce2 Fe2 N20 O16
• Calculated formula: C52 H64 Ce2 Fe2 N20 O16
• SMILES: c1cc2c3[n](cccc3)[Ce]3([n]2cc1)([n]1ccccc1c1[n]3cccc1)([N]#C[Fe](C#N)(C#[N][Ce]12([n]3ccccc3c3cccc[n]13)([n]1ccccc1c1[n]2cccc1)([OH2])([OH2])([OH2])[OH2])(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: 10.1999 ± 0.0005 Å
• b: 11.4896 ± 0.0005 Å
• c: 15.66 ± 0.0007 Å
• α: 87.165 ± 0.001°
• β: 87.692 ± 0.001°
• γ: 66.409 ± 0.001°
• Cell volume: 1679.38 ± 0.13 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: 0.0274
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No