Information card for entry 4310620

Structure parameters

• Formula: C22 H23 Fe2 N7 O4
• Calculated formula: C22 H23 Fe2 N7 O4
• SMILES: [Fe]123([O]4[Fe]5([N](CCC4CC[N]2=C(c2[n]1cccc2)C)=C(c1[n]5cccc1)C)([N]3=C=O)N=C=O)N=C=O
• Title of publication: New Poly-Iron(II) Complexes of N4O Dinucleating Schiff Bases and Pseudohalides: Syntheses, Structures, and Magnetic and Mössbauer Properties
• Authors of publication: Athanassios K. Boudalis; Juan-Modesto Clemente-Juan; Françoise Dahan; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1574 - 1586
• a: 8.4152 ± 0.001 Å
• b: 9.135 ± 0.001 Å
• c: 17.666 ± 0.002 Å
• α: 97.486 ± 0.014°
• β: 100.026 ± 0.014°
• γ: 113.51 ± 0.013°
• Cell volume: 1195.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No