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Information card for entry 8101982
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| Coordinates | 8101982.cif |
|---|---|
| External links | PubChem |
| Chemical name | aqua-bis(acrylato-O,O')-bis(1,10-phenanthroline-N,N')zinc(II) hydrate |
|---|---|
| Formula | C18 H18 N2 O6 Zn |
| Calculated formula | C18 H18 N2 O6 Zn |
| SMILES | [Zn]1(OC(=O)C=C)([OH2])(OC(=O)C=C)[n]2c3c4[n]1cccc4ccc3ccc2.O |
| Title of publication | Crystal structure of aquabis(acrylato-O,O')-(1,10-phenanthroline-N, N')zinc(II) hydrate, Zn(C~3~H~3~O~2~)~2~(H~2~O)(C~12~H~10~N~2~) · H~2~O |
| Authors of publication | Deng, Q.; Jiang, W.-J.; Peng, Z.-S.; Long, Y.-F.; Cai, T.-J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 287 - 288 |
| a | 9.2816 ± 0.0007 Å |
| b | 10.5205 ± 0.0008 Å |
| c | 11.0378 ± 0.0007 Å |
| α | 103.144 ± 0.004° |
| β | 99.428 ± 0.004° |
| γ | 111.743 ± 0.003° |
| Cell volume | 937.53 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101982.cif |
| 176728 | 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. |
8101982.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8101982.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101982.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101982.cif |
| 12721 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101982 via cif-deposit CGI script. |
8101982.cif |
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Users of the data should acknowledge the original authors of the
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