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Information card for entry 2019889
Preview
| Coordinates | 2019889.cif |
|---|---|
| Structure factors | 2019889.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[copper(II)-di-μ-chlorido-μ-proline-κ^2^<i>O</i>:<i>O</i>'] |
|---|---|
| Formula | C5 H9 Cl2 Cu N O2 |
| Calculated formula | C5 H9 Cl2 Cu N O2 |
| Title of publication | Unexpected proline coordination in the copper chain polymer [Cu(μ-Cl)~2~(μ-<small>DL</small>-proline-κ^2^<i>O</i>:<i>O</i>')]^1^~{\ιnfty ~} |
| Authors of publication | Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| a | 6.6312 ± 0.0014 Å |
| b | 9.717 ± 0.002 Å |
| c | 12.837 ± 0.003 Å |
| α | 76.136 ± 0.004° |
| β | 89.521 ± 0.004° |
| γ | 81.162 ± 0.004° |
| Cell volume | 793.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019889.cif 2019889.hkl |
| 180866 | 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 2/01/98. |
2019889.cif 2019889.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. |
2019889.cif 2019889.hkl |
| 133790 | 2015-03-11 | cif/ hkl/ Adding structures of 2019889 via cif-deposit CGI script. |
2019889.cif 2019889.hkl |
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Users of the data should acknowledge the original authors of the
structural data.