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Information card for entry 4323340
Preview
| Coordinates | 4323340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H28 N4 S6 |
|---|---|
| Calculated formula | C22 H18 N4 S6 |
| Title of publication | Syntheses, X-ray Crystal Structures, and Spectroscopic Properties of New Nickel Dithiolenes and Related Compounds |
| Authors of publication | Francesco Bigoli; Paola Deplano; Francesco A. Devillanova; John. R. Ferraro; Vito Lippolis; Peter J. Lukes; Maria Laura Mercuri; Maria Angela Pellinghelli; Emanuele F. Trogu; Jack M. Williams |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1997 |
| Journal volume | 36 |
| Pages of publication | 1218 - 1226 |
| a | 13.104 ± 0.006 Å |
| b | 15.091 ± 0.006 Å |
| c | 6.067 ± 0.007 Å |
| α | 90 ± 0° |
| β | 103 ± 0.02° |
| γ | 90 ± 0° |
| Cell volume | 1169 ± 1.5 Å3 |
| Cell temperature | 295 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Goodness-of-fit parameter for significantly intense reflections | 1.652 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | Cu_Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284577 (current) | 2023-06-29 | cif/4/32/33/ Updated information in entries 4323339-4323343 after consulting the original publication. |
4323340.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. |
4323340.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. |
4323340.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4323340.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4323340.cif |
| 23368 | 2011-08-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4323340 via cif-deposit CGI script. |
4323340.cif |
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