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Information card for entry 2020452
Preview
| Coordinates | 2020452.cif |
|---|---|
| Structure factors | 2020452.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[diaquabis(μ~4~-biphenyl-3,4',5-tricarboxylato-κ^4^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^4'^)tris[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(II)dicopper(I)] |
|---|---|
| Formula | C66 H48 Cu4 N12 O14 |
| Calculated formula | C66 H48 Cu4 N12 O14 |
| Title of publication | A three-dimensional mixed-valence Cu^II^/Cu^I^ coordination polymer constructed from biphenyl-3,4',5-tricarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands |
| Authors of publication | Liu, Ya-Hui; Lu, Li-Ping; Zhu, Miao-Li; Su, Feng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 358 - 362 |
| a | 11.898 ± 0.002 Å |
| b | 28.663 ± 0.006 Å |
| c | 8.343 ± 0.002 Å |
| α | 90° |
| β | 97.77 ± 0.03° |
| γ | 90° |
| Cell volume | 2819.1 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0443 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.72 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182539 (current) | 2016-05-04 | cif/ Updating files of 2020452 Original log message: Adding full bibliography for 2020452.cif. |
2020452.cif 2020452.hkl |
| 181874 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04 |
2020452.cif 2020452.hkl |
| 180661 | 2016-04-01 | cif/ hkl/ Adding structures of 2020452 via cif-deposit CGI script. |
2020452.cif 2020452.hkl |
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