Information card for entry 7718850

Structure parameters

• Formula: C46 H42 Fe2 N4 O6
• Calculated formula: C46 H42 Fe2 N4 O6
• Title of publication: Intermolecular π-stacking stabilization of a new high-M/L-ratio coordination motif for a dinuclear Fe(III) complex supported by a "salen-type" Schiff base derivative of <i>o</i>-xylylenediamine.
• Authors of publication: Shutilov, Ilia D.; Volodin, Pavel A.; Ovsyannikov, Alexander S.; Pyataev, Andrew V.; Frantsuzova, Lyubov V.; Gerasimova, Daria P.; Khamatgalimov, Ayrat R.; Solovieva, Svetlana E.; Antipin, Igor S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 10222 - 10226
• a: 11.0074 ± 0.0006 Å
• b: 15.0503 ± 0.0009 Å
• c: 11.45 ± 0.0006 Å
• α: 90°
• β: 96.275 ± 0.002°
• γ: 90°
• Cell volume: 1885.5 ± 0.18 ų
• Cell temperature: 102 K
• Ambient diffraction temperature: 102 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: 0.0779
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No