Information card for entry 7020479

Structure parameters

• Formula: C32 H46 Fe2 N12 Ni O11
• Calculated formula: C32 H24 Fe2 N12 Ni O11
• Title of publication: [Fe(III)(dmbpy)(CN)(4)](-): a new building block for designing single-chain magnets.
• Authors of publication: Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 44
• Pages of publication: 13716 - 13726
• a: 26.78 ± 0.003 Å
• b: 12.585 ± 0.002 Å
• c: 14.116 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4757.5 ± 1.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.2786
• Weighted residual factors for all reflections included in the refinement: 0.3068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No