Information card for entry 2017110

Structure parameters

• Chemical name: <i>catena</i>-poly[[[(2,2'-bipyridine-1κ^2^<i>N</i>,<i>N</i>')tris(methanol- 2κ<i>O</i>)(nitrato-2κ^2^<i>O</i>,<i>O</i>')-μ-cyanido- 1:2<i>C</i>:<i>N</i>-cyanido-1κ<i>C</i>-iron(II)neodymium(III)]-di-μ-cyanido- 1:2'<i>C</i>:<i>N</i>;2:1'<i>N</i>:<i>C</i>] methanol solvate]
• Formula: C18 H24 Fe N7 Nd O7
• Calculated formula: C18 H24 Fe N7 Nd O7
• SMILES: [Nd]1([OH]C)([OH]C)([OH]C)([O]=N(=O)O1)([N]#C[Fe]1(C#[N]2)(C#N)(C#N)[n]3ccccc3c3cccc[n]13)[N]#C[Fe]1(C#[N][Nd]324([OH]C)([OH]C)([OH]C)[O]=N(=O)O3)(C#N)([n]2ccccc2c2cccc[n]12)C#[N][Nd]1([OH]C)([OH]C)([OH]C)([O]=N(=O)O1)([N]#C[Fe]1(C#[N]2)(C#[N]4)(C#N)[n]3ccccc3c3cccc[n]13)[N]#C[Fe]1(C#[N][Nd]32([OH]C)([OH]C)([OH]C)[O]=N(=O)O3)(C#N)([n]2ccccc2c2cccc[n]12)C#N.CO.CO.CO.CO
• Title of publication: A cyanide-bridged Fe^II^‒Nd^III^ bimetallic assembly with a one-dimensional ladder-like chain structure
• Authors of publication: Xu, Yan; Zhou, Hu; Yuan, Ai-Hua; Shen, Xiao-Ping; Zhang, Qian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m177 - m179
• a: 12.9908 ± 0.0017 Å
• b: 18.311 ± 0.003 Å
• c: 10.9171 ± 0.0014 Å
• α: 90°
• β: 103.099 ± 0.002°
• γ: 90°
• Cell volume: 2529.3 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes