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Information card for entry 8102037
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| Coordinates | 8102037.cif |
|---|
| Chemical name | aquabis(acrylato-O,O')(1,10-phenanthroline-N,N')cadmium(II) |
|---|---|
| Formula | C18 H15 Cd N2 O5 |
| Calculated formula | C18 H15 Cd N2 O5 |
| SMILES | [Cd]123(OC(=[O]1)C=C)(OC(C=C)=[O]2)([OH2])[n]1cccc2ccc4ccc[n]3c4c12 |
| Title of publication | Crystal structure of aquabis(acrylato-O,O')(1,10-phenanthroline-N, N')cadmium(II), Cd(H~2~O)(C~3~H~3~O~2~)~2~(C~12~H~10~N~2~) |
| Authors of publication | Cai, T.-J.; Jiang, W.-J.; Peng, Z.-S.; Long, Y.-F.; Deng, Q. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 421 - 422 |
| a | 9.9973 ± 0.0005 Å |
| b | 9.0433 ± 0.0004 Å |
| c | 19.4849 ± 0.0008 Å |
| α | 90° |
| β | 101.235 ± 0.002° |
| γ | 90° |
| Cell volume | 1727.84 ± 0.14 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0316 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102037.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102037.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102037.cif |
| 12776 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8102037 via cif-deposit CGI script. |
8102037.cif |
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