Information card for entry 4327498

Structure parameters

• Formula: C40 H46 Fe4 N14 O8
• Calculated formula: C40 H46 Fe4 N14 O8
• SMILES: c1cccc2C[NH]3CCC4[O]5[Fe]63([n]12)([N](=C=O)[Fe]123([n]7ccccc7C[NH]1CCC1[O]3[Fe]3([NH](CC1)Cc1[n]3cccc1)(N=C=O)[N]2=C=O)[N]6=C=O)[N]([Fe]15([NH](CC4)Cc2[n]1cccc2)N=C=O)=C=O
• 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: 11.7633 ± 0.0018 Å
• b: 18.234 ± 0.003 Å
• c: 10.4792 ± 0.0016 Å
• α: 90°
• β: 99.359 ± 0.018°
• γ: 90°
• Cell volume: 2217.8 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No