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Information card for entry 1542482
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| Coordinates | 1542482.cif |
|---|---|
| Structure factors | 1542482.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Disodium <i>p</i>-terphenyl-4,4''-disulfonate |
|---|---|
| Formula | C18 H12 Na2 O6 S2 |
| Calculated formula | C18 H12 Na2 O6 S2 |
| SMILES | S(=O)(=O)([O-])c1ccc(c2ccc(c3ccc(S(=O)(=O)[O-])cc3)cc2)cc1.[Na+].[Na+] |
| Title of publication | Polymeric structure of disodium <i>p</i>-terphenyl-4,4''-disulfonate [Na~2~(O~3~S-C~6~H~4~-C~6~H~4~-C~6~H~4~-SO~3~] |
| Authors of publication | Albat, Martin; Stock, Norbert |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x160039 |
| a | 17.662 ± 0.004 Å |
| b | 8.2854 ± 0.0017 Å |
| c | 5.9719 ± 0.0012 Å |
| α | 90° |
| β | 91.38 ± 0.03° |
| γ | 90° |
| Cell volume | 873.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0986 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542482.cif 1542482.hkl |
| 177531 | 2016-03-04 | cif/ Updating files of 1542482 Original log message: Adding full bibliography for 1542482.cif. |
1542482.cif 1542482.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542482.cif 1542482.hkl |
| 176538 | 2016-02-17 | cif/ hkl/ Adding structures of 1542482 via cif-deposit CGI script. |
1542482.cif 1542482.hkl |
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