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Information card for entry 6000412
Preview
| Coordinates | 6000412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 Ca O15 S2 |
|---|---|
| Calculated formula | C14 H16 Ca O15 S2 |
| Title of publication | The crystal structure and the second harmonic generation efficiency of the sulfosalicylate |
| Authors of publication | Li, Y.-Q.; Deng, L.-Z.; Zhou, X.-H.; Zhang, S.-H. |
| Journal of publication | Acta Physico-chimica Sinica |
| Year of publication | 1998 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 778 - 783 |
| a | 5.604 ± 0.001 Å |
| b | 18.56 ± 0.004 Å |
| c | 10.006 ± 0.002 Å |
| α | 90° |
| β | 102.19 ± 0.03° |
| γ | 90° |
| Cell volume | 1017.26 Å3 |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0244 |
| Weighted residual factors for all reflections | 0.032 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277869 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
6000412.cif |
| 188722 | 2016-11-28 | cif/6/00/04 (antanas@kurmis) Updating bibliography, adding R values and atom coordinates to entry 6000412, 6000413. |
6000412.cif |
| 176292 | 2016-02-09 | cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries. |
6000412.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
6000412.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
6000412.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
6000412.cif |
| 878 | 2009-11-19 | cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif |
6000412.cif |
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Users of the data should acknowledge the original authors of the
structural data.