Information card for entry 2222859

Structure parameters

• Chemical name: 1,4-Diferrocenyl-2-methylpiperazine-1,4-diium bis(trifluoroacetate)
• Formula: C31 H34 F6 Fe2 N2 O4
• Calculated formula: C31 H34 F6 Fe2 N2 O4
• Title of publication: 1,4-Diferrocenyl-2-methylpiperazine-1,4-diium bis(trifluoroacetate)
• Authors of publication: Chen, Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m961
• a: 11.922 ± 0.003 Å
• b: 9.7977 ± 0.0016 Å
• c: 13.628 ± 0.004 Å
• α: 90°
• β: 99.998 ± 0.015°
• γ: 90°
• Cell volume: 1567.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes