Information card for entry 2233031

Structure parameters

• Chemical name: Bis[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboximidato- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']iron(III) tris(cyanido-κ<i>C</i>)[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2- carboximidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ferrate(III) monohydrate
• Formula: C39 H26 Fe2 N12 O7
• Calculated formula: C39 H26 Fe2 N12 O7
• Title of publication: Bis[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboximidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']iron(III) tris(cyanido-κ<i>C</i>)[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboximidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ferrate(III) monohydrate
• Authors of publication: Xiao, Yunyun; Shen, Xiaoping; Li, Yizhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1734
• a: 9.6116 ± 0.0012 Å
• b: 14.2025 ± 0.0013 Å
• c: 15.1032 ± 0.0016 Å
• α: 98.154 ± 0.002°
• β: 99.645 ± 0.003°
• γ: 104.558 ± 0.002°
• Cell volume: 1930.4 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes