Information card for entry 2214473

Structure parameters

• Chemical name: {1,4-Bis[3-(3-methoxy-2-oxidobenzylideneamino)propyl]piperazine}iron(III) tetrafluoridoborate
• Formula: C26 H34 B F4 Fe N4 O4
• Calculated formula: C26 H34 B F4 Fe N4 O4
• Title of publication: {1,4-Bis[3-(3-methoxy-2-oxidobenzylideneamino)propyl]piperazine}iron(III) tetrafluoridoborate
• Authors of publication: Butcher, Ray J.; Pourian, Mohamad; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1913 - m1914
• a: 18.809 ± 0.004 Å
• b: 10.801 ± 0.002 Å
• c: 13.559 ± 0.003 Å
• α: 90°
• β: 92.89 ± 0.03°
• γ: 90°
• Cell volume: 2751.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1291
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes