Information card for entry 7011939

Structure parameters

• Formula: C14 H11 Fe N8 O1.5
• Calculated formula: C14 H8 Fe N8 O1.5
• Title of publication: Structural analysis and magnetic properties of the 1D [Fe(dca)2bipy(H2O)]·1/2H2O and the 3D [Ni(dca)2bipy] (dca = dicyanamide; bipy = 4,4'-bipyridine)
• Authors of publication: Susana Martín; M. Gotzone Barandika; J. M. Ezpeleta; Roberto Cortés; J. I. Ruiz de Larramendi; Luis Lezama; Teófilo Rojo
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4275 - 4280
• a: 22.366 ± 0.005 Å
• b: 22.366 ± 0.005 Å
• c: 13.311 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6659 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.648
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No