Information card for entry 4327499

Structure parameters

• Formula: C34 H46 Fe4 N26 O2
• Calculated formula: C34 H46 Fe4 N26 O2
• SMILES: [Fe]1234([O]5[Fe]6([NH](CC[C@H]5CC[NH]2Cc2[n]1cccc2)Cc1cccc[n]61)([N]3=N#N)N=N#N)[N]([Fe]123([O]5[Fe]6([NH](CC[C@@H]5CC[NH]2Cc2[n]1cccc2)Cc1cccc[n]61)([N]3=N#N)N=N#N)[N]4=N#N)=N#N
• 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: 23.534 ± 0.003 Å
• b: 18.046 ± 0.002 Å
• c: 10.4865 ± 0.0016 Å
• α: 90°
• β: 97.8 ± 0.02°
• γ: 90°
• Cell volume: 4412.4 ± 1 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: 0.0462
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No