Information card for entry 4327496

Structure parameters

• Formula: C43 H53 Fe4 N10 O7.5 S3
• Calculated formula: C43 H53 Fe4 N10 O7.5 S3
• Title of publication: Synthesis, Structure, and Magnetic Properties of Tetranuclear Cubane-like and Chain-like Iron(II) Complexes Based on the N4O Pentadentate Dinucleating Ligand 1,5-Bis[(2-pyridylmethyl)amino]pentan-3-ol
• Authors of publication: Juan M. Clemente-Juan; Christine Mackiewicz; Marc Verelst; Françoise Dahan; Azzedine Bousseksou; Yiannis Sanakis; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1478 - 1491
• a: 11.6153 ± 0.0017 Å
• b: 34.391 ± 0.017 Å
• c: 14.215 ± 0.0018 Å
• α: 90°
• β: 110.88 ± 0.05°
• γ: 90°
• Cell volume: 5305 ± 3 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: 0.1129
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No