Information card for entry 2234679

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido- 1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-bromido-[(2,2'-bipyidine- 2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]- μ-cyanido-κ^2^<i>N</i>:<i>C</i>]
• Formula: C23 H16 Br Cu4 N7
• Calculated formula: C23 H16 Br Cu4 N7
• SMILES: [Cu]1([n]2c(c3[n]1cccc3)cccc2)C#[N][Cu]([Br][Cu]([N]#C[Cu]1[n]2c(c3[n]1cccc3)cccc2)[N]#C[Cu]([Br][Cu][N]#C[Cu]1[n]2c(c3[n]1cccc3)cccc2)[N]#C[Cu]1[n]2c(c3[n]1cccc3)cccc2)C#N
• Title of publication: <i>catena</i>-Poly[[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-bromido-[(2,2'-bipyidine-2κ^2^<i>N</i>,<i>N</i>')-μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicopper(I)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>]
• Authors of publication: Gu, Jia; Jiang, Xuee; Su, Zhanhua; Zhou, Baibin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m693
• a: 10.0074 ± 0.001 Å
• b: 17.7556 ± 0.0017 Å
• c: 14.5125 ± 0.0014 Å
• α: 90°
• β: 102.924 ± 0.001°
• γ: 90°
• Cell volume: 2513.4 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes