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Information card for entry 8101961
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| Coordinates | 8101961.cif |
|---|
| Chemical name | catena-(aqua-tris(1H-imidazole-N)(μ-sulfato)copper(II)) |
|---|---|
| Formula | C9 H14 Cu N6 O5 S |
| Calculated formula | C9 H14 Cu N6 O5 S |
| SMILES | [Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)(OS(=O)(=O)[O-])[OH2] |
| Title of publication | Crystal structure of catena-aquatris(1H-imidazole-N)-(μ-sulfato) copper(II), Cu(H~2~O)(C~3~H~4~N~2~)~3~(SO~4~) |
| Authors of publication | Fu, F.; Guo, J.-X.; Li, D.-S.; Tang, L.; Zhang, M.-L.; Wang, J.-W. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 2 |
| Pages of publication | 195 - 196 |
| a | 11.723 ± 0.002 Å |
| b | 8.6507 ± 0.0016 Å |
| c | 13.839 ± 0.003 Å |
| α | 90° |
| β | 91.703 ± 0.004° |
| γ | 90° |
| Cell volume | 1402.8 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0747 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| 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. |
8101961.cif |
| 107948 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101961.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101961.cif |
| 12700 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101961 via cif-deposit CGI script. |
8101961.cif |
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Users of the data should acknowledge the original authors of the
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