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Information card for entry 2232982
Preview
Coordinates | 2232982.cif |
---|---|
Structure factors | 2232982.hkl |
Original IUCr paper | HTML |
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)] |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2232982.html
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