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Information card for entry 2019908
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| Coordinates | 2019908.cif |
|---|---|
| Structure factors | 2019908.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[dibromidobis(μ~2~-<i>L</i>-proline)calcium(II)] |
|---|---|
| Formula | C10 H18 Br2 Ca N2 O4 |
| Calculated formula | C10 H18 Br2 Ca N2 O4 |
| SMILES | [Br-].[Ca+2].[Br-].[O-]C(=[O])[C@@H]1CCC[NH2+]1.[O-]C(=[O])[C@@H]1CCC[NH2+]1 |
| Title of publication | One- and two-dimensional polymers from proline and calcium bromide |
| 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 | 20.598 ± 0.004 Å |
| b | 7.679 ± 0.0014 Å |
| c | 9.7974 ± 0.0017 Å |
| α | 90° |
| β | 95.553 ± 0.003° |
| γ | 90° |
| Cell volume | 1542.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019908.cif 2019908.hkl |
| 180867 | 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 2/01/99. |
2019908.cif 2019908.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019908.cif 2019908.hkl |
| 134224 | 2015-03-21 | cif/ hkl/ Adding structures of 2019907, 2019908 via cif-deposit CGI script. |
2019908.cif 2019908.hkl |
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Users of the data should acknowledge the original authors of the
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