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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)] |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/29. |
2232982.cif 2232982.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232982.cif 2232982.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232982.cif 2232982.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232982.cif 2232982.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232982.cif 2232982.hkl |
| 31875 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232982 via cif-deposit CGI script. |
2232982.cif |
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Users of the data should acknowledge the original authors of the
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