Information card for entry 7716945

Structure parameters

• Common name: FeBAME
• Chemical name: Iron (III) N,N?- bis(4-antipyrlmethylidene)ethylenediamine dichloride
• Formula: C26 H28 Cl3 Fe N6 O2
• Calculated formula: C26 H28 Cl3 Fe N6 O2
• Title of publication: Mononuclear Fe(III) Schiff base antipyrine complexes for catalytic hydrogen generation.
• Authors of publication: Cropley, Jessica D.; Mitchell, Amanda C.; Fritsch, Nicole A.; Ho, Marissa; Wells, Timothy D.; Reynolds, Todd M.; Brennessel, William W.; McNamara, William R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 37
• Pages of publication: 15421 - 15426
• a: 18.0494 ± 0.0002 Å
• b: 26.5169 ± 0.0002 Å
• c: 28.1081 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13452.9 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No