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Information card for entry 4327667
Preview
| Coordinates | 4327667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H16 Cl Co N2 O6 S2 |
|---|---|
| Calculated formula | C7 H16 Cl Co N2 O6 S2 |
| Title of publication | Three-Membered -SCoCH2 Chelate Ring Complex Formed by Photodecarboxylation Reaction of Optically Active trans(O)-[Co(edtda)(en)]Cl (edtda = Ethylenedithiodiacetate) |
| Authors of publication | Toshiaki Yonemura; Kimi Shibuya; Tomoharu Ama; Hiroshi Kawaguchi; Ken-ichi Okamoto; Jinsai Hidaka; Takaji Yasui |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 3244 - 3247 |
| a | 12.401 ± 0.001 Å |
| b | 14.782 ± 0.001 Å |
| c | 15.16 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2779 ± 0.3 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198748 (current) | 2017-07-16 | cif/ (antanas@kurmis) Placing the _exptl_crystal_description data item into an unlooped context in entries 2204854, 4327666, 4327667. |
4327667.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4327667.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4327667.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327667.cif |
| 61644 | 2012-07-05 | cif/ Adding structures of 4327667 via cif-deposit CGI script. |
4327667.cif |
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Users of the data should acknowledge the original authors of the
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