Information card for entry 2232982

Structure parameters

• Chemical name: Poly[pentakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)tris(5-phenyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')pentacopper(I)]
• Formula: C53 H36 Cu5 N11
• Calculated formula: C53 H36 Cu5 N11
• SMILES: [Cu]1([n]2c(ccc(c2)c2ccccc2)c2[n]1cccc2)C#[N][Cu]([N]#C[Cu]1[n]2c(c3[n]1cc(cc3)c1ccccc1)cccc2)C#[N][Cu]1([n]2c(ccc(c2)c2ccccc2)c2[n]1cccc2)C#[N][Cu]([N]#C[Cu]1[n]2c(c3[n]1cc(cc3)c1ccccc1)cccc2)C#N.[Cu]([N]#C[Cu]1[n]2c(c3[n]1cc(cc3)c1ccccc1)cccc2)C#[N][Cu]([N]#C[Cu]1[n]2c(c3[n]1cc(cc3)c1ccccc1)cccc2)C#N
• Title of publication: Poly[pentakis(μ-cyanido-κ^2^<i>N</i>:<i>C</i>)tris(5-phenyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')pentacopper(I)]
• Authors of publication: Cui, Shuxin; Zuo, Minghui; Zhang, Jingping; Zhao, Yulong; Tan, Rongxin; Liu, Shujuan; Su, Shuangyue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1706 - m1707
• a: 32.132 ± 0.008 Å
• b: 8.361 ± 0.002 Å
• c: 34.836 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9359 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes