Information card for entry 4310252

Structure parameters

• Formula: C38 H36 Fe2 Mn N12 O8
• Calculated formula: C38 H36 Fe2 Mn N12 O8
• SMILES: C(#N)[Fe]12(C#N)(C#[N][Mn]([OH]C)([N]#C[Fe]34(C#N)(C#N)[n]5cccc6cccc(N3C(=O)c3[n]4cccc3)c56)([OH2])([OH2])[OH]C)[n]3cccc4c3c(N1C(=O)c1[n]2cccc1)ccc4.O.O
• Title of publication: mer-[Fe(pcq)(CN)3]-: A Novel Cyanide-Containing Building Block and Its Application to Assembling Cyanide-Bridged Trinuclear FeIII2MnII Complexes [pcq-= 8-(Pyridine-2-carboxamido)quinoline Anion]
• Authors of publication: Zhong-Hai Ni; Hui-Zhong Kou; Li-Fang Zhang; Wei-Wei Ni; Yun-Bo Jiang; Ai-Li Cui; Joan Ribas; Osamu Sato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9631 - 9633
• a: 21.125 ± 0.016 Å
• b: 14.483 ± 0.01 Å
• c: 15.061 ± 0.012 Å
• α: 90°
• β: 113.302 ± 0.003°
• γ: 90°
• Cell volume: 4232 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction 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: 0.0731
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No