Information card for entry 7716947

Structure parameters

• Common name: FeBAME (NO3)3
• Chemical name: Diaqua Iron (III) N,N?- bis(4-antipyrlmethylidene)ethylenediamine trinitrate
• Formula: C29.5 H35.5 Fe N9 O13
• Calculated formula: C29.5 H35.5 Fe N9 O13
• Title of publication: Mononuclear Fe(III) Schiff Base Antipyrine Complexes for Catalytic Hydrogen Generation
• Authors of publication: Cropley, Jessica; Mitchell, Amanda; Fritsch, Nicole; Ho, Marissa; Wells, Timothy; Reynolds, Todd M.; Brennessel, William W.; McNamara, William Robert
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.8121 ± 0.0005 Å
• b: 14.4735 ± 0.0007 Å
• c: 15.1409 ± 0.0007 Å
• α: 115.034 ± 0.002°
• β: 94.913 ± 0.002°
• γ: 104.992 ± 0.002°
• Cell volume: 1834.57 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No