Information card for entry 4301002

Structure parameters

• Formula: C52 H66 Fe2 N18 Ni O10
• Calculated formula: C52 H66 Fe2 N18 Ni O10
• SMILES: C(#[N][Ni]123([NH]4CN(C[NH]1CC[NH]3CN(C[NH]2CC4)CC)CC)[N]#C[Fe]123(C#N)N(C(=O)c4cccc[n]24)c2ccccc2N1C(=O)c1[n]3cccc1)[Fe]123(N(C(=O)c4cccc[n]14)c1ccccc1N2C(=O)c1[n]3cccc1)C#N.O.O.O.O.O.O
• Title of publication: [Fe(bpb)(CN)2]- as a Versatile Building Block for the Design of Novel Low-Dimensional Heterobimetallic Systems: Synthesis, Crystal Structures, and Magnetic Properties of Cyano-Bridged FeIII-NiII Complexes [(bpb)2- = 1,2-Bis(pyridine-2-carboxamido)benzenate]
• Authors of publication: Zhong-Hai Ni; Hui-Zhong Kou; Yi-Hua Zhao; Lei Zheng; Ru-Ji Wang; Ai-Li Cui; Osamu Sato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2050 - 2059
• a: 9.012 ± 0.0018 Å
• b: 12.754 ± 0.003 Å
• c: 15.216 ± 0.003 Å
• α: 114.37 ± 0.03°
• β: 93.67 ± 0.03°
• γ: 105.56 ± 0.03°
• Cell volume: 1504 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No