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Information card for entry 2019561
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| Coordinates | 2019561.cif |
|---|---|
| Structure factors | 2019561.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[μ~3~-benzotriazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^-copper(I)] |
|---|---|
| Formula | C6 H4 Cu N3 |
| Calculated formula | C6 H4 Cu N3 |
| Title of publication | A copper(I) coordination polymer incorporation the corrosion inhibitor 1<i>H</i>-benzotriazole: poly[μ~3~-benzotriazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^-copper(I)] |
| Authors of publication | Liu, Jian-Jun; Li, Zuo-Yin; Yuan, Xiong; Wang, Yao; Huang, Chang-Cang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | 599 - 602 |
| a | 19.116 ± 0.004 Å |
| b | 11.968 ± 0.002 Å |
| c | 11.139 ± 0.002 Å |
| α | 90° |
| β | 107.7 ± 0.03° |
| γ | 90° |
| Cell volume | 2427.7 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0906 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019561.cif 2019561.hkl |
| 180863 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/95. |
2019561.cif 2019561.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2019561.cif 2019561.hkl |
| 119344 | 2014-07-05 | cif/ Updating files of 2019561 Original log message: Adding full bibliography for 2019561.cif. |
2019561.cif 2019561.hkl |
| 114406 | 2014-05-24 | cif/ hkl/ Adding structures of 2019561 via cif-deposit CGI script. |
2019561.cif 2019561.hkl |
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