Information card for entry 7110532

Structure parameters

• Formula: C42 H96 Fe2 N24 Ni3 O12
• Calculated formula: C42 H60 Fe2 N24 Ni3 O12
• Title of publication: A novel two-dimensional honeycomb-like bimetallic iron(III)‒nickel(II) cyanide-bridged magnetic material [Ni(cyclam)]3[Fe(CN)6]2·nH2O(cyclam = 1,4,8,11-tetraazacyclodecane)
• Authors of publication: Colacio, Enrique; Domínguez-Vera, José M.; Ghazi, Mustapha; Moreno, José M.; Kivekäs, Raikko; Lloret, Francesc; Stoeckli-Evans, Helen
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 987
• a: 27.384 ± 0.003 Å
• b: 14.3128 ± 0.0011 Å
• c: 8.4772 ± 0.0008 Å
• α: 90°
• β: 90.176 ± 0.013°
• γ: 90°
• Cell volume: 3322.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No