Information card for entry 4310622

Structure parameters

• Formula: C21 H26 Fe N6 O2 S2
• Calculated formula: C21 H26 Fe N6 O2 S2
• 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: 8.7674 ± 0.0009 Å
• b: 12.0938 ± 0.0013 Å
• c: 12.2634 ± 0.0014 Å
• α: 106.685 ± 0.014°
• β: 93.689 ± 0.014°
• γ: 108.508 ± 0.013°
• Cell volume: 1163.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No