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Information card for entry 2239680
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| Coordinates | 2239680.cif |
|---|---|
| Structure factors | 2239680.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[(pyrazine-2-carboxamide-κ<i>N</i>^4^)copper(I)]-μ~3~-iodido] |
|---|---|
| Formula | C5 H5 Cu I N3 O |
| Calculated formula | C5 H5 Cu I N3 O |
| SMILES | [I]12[Cu]3([n]4cc(ncc4)C(=O)N)[Cu]14([I]3)([n]1cc(ncc1)C(=O)N)[Cu]213([n]2cc(ncc2)C(=O)N)[I]4[Cu]1([I]3)[n]1cc(ncc1)C(=O)N |
| Title of publication | <i>catena</i>-Poly[[(pyrazine-2-carboxamide-κ<i>N</i>^4^)copper(I)]-μ~3~-iodido] |
| Authors of publication | Krivosudský, Lukáš; Rakovský, Erik |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | m267 - m268 |
| a | 29.5408 ± 0.0007 Å |
| b | 4.0795 ± 0.0001 Å |
| c | 14.3164 ± 0.0003 Å |
| α | 90° |
| β | 111.712 ± 0.003° |
| γ | 90° |
| Cell volume | 1602.89 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for all reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0407 |
| Weighted residual factors for all reflections included in the refinement | 0.0421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239680.cif 2239680.hkl |
| 181315 | 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 2/23/96. |
2239680.cif 2239680.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. |
2239680.cif 2239680.hkl |
| 118117 | 2014-06-26 | cif/ hkl/ Adding structures of 2239680 via cif-deposit CGI script. |
2239680.cif 2239680.hkl |
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Users of the data should acknowledge the original authors of the
structural data.