Information card for entry 2201383

Structure parameters

• Formula: C36 H98 Fe2 N30 Ni3 O10
• Calculated formula: C36 H78 Fe2 N30 Ni3 O10
• Title of publication: Tris[bis(diethylenetriamine)nickel(II)] bis[hexacyanoferrate(III)] decahydrate
• Authors of publication: Muga, Iñaki; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Luque, Antonio; Román, Pascual
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m524 - m526
• a: 27.195 ± 0.003 Å
• b: 12.602 ± 0.001 Å
• c: 19.747 ± 0.002 Å
• α: 90°
• β: 104.51 ± 0.01°
• γ: 90°
• Cell volume: 6551.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes