Information card for entry 4317550

Structure parameters

• Formula: C28 H32 Fe2 Mn N12 O8
• Calculated formula: C28 H16 Fe2 Mn N12 O8
• SMILES: C(#[N][Mn]([N]#C[Fe]1(C#N)(C#N)(C#N)[n]2ccccc2c2cccc[n]12)([OH2])([OH2])([OH2])[OH2])[Fe]1(C#N)(C#N)(C#N)[n]2c(cccc2)c2cccc[n]12.O.O.O.O
• Title of publication: [Fe(bipy)(CN)4]- as a Versatile Building Block for the Design of Heterometallic Systems: Synthesis, Crystal Structure, and Magnetic Properties of PPh4[FeIII(bipy)(CN)4].H2O, [{FeIII(bipy)(CN)4}2MII(H2O)4].4H2O, and [{FeIII(bipy)(CN)4}2ZnII].2H2O [bipy = 2,2'-Bipyridine; M = Mn and Zn]
• Authors of publication: Rodrigue Lescouëzec; Francesc Lloret; Miguel Julve; Jacqueline Vaissermann; Michel Verdaguer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 818 - 826
• a: 6.62 ± 0.007 Å
• b: 19.134 ± 0.004 Å
• c: 14.319 ± 0.004 Å
• α: 90°
• β: 93.9 ± 0.05°
• γ: 90°
• Cell volume: 1810 ± 2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.0693
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No