Information card for entry 7117414

Structure parameters

• Chemical name: hydronium catena(bis(2-cyanido)-tetracyanido-(1,4,8,11-tetraazacyclotetradecane)-nickel(III)-iron(II)) pentahydrate
• Formula: C16 H37 Fe N10 Ni O6
• Calculated formula: C16 H36 Fe N10 Ni O6
• Title of publication: Hydration-switchable charge transfer in the first bimetallic assembly based on the [Ni(cyclam)]^3+^ - magnetic CN-bridged chain {(H3O)[Ni^III^(cyclam)][Fe^II^(CN)6]^.^5H2O}n
• Authors of publication: Beata Nowicka; Mateusz Reczynski; Michal Rams; Wojciech Nitek; Jan Zukrowski; Czeslaw Kapusta; Barbara Sieklucka
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11485
• a: 13.863 ± 0.0004 Å
• b: 12.502 ± 0.0004 Å
• c: 10.093 ± 0.0004 Å
• α: 90°
• β: 133.02 ± 0.002°
• γ: 90°
• Cell volume: 1278.92 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No