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Information card for entry 7206500
Preview
| Coordinates | 7206500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N2 O9 Pb S |
|---|---|
| Calculated formula | C18 H16 N2 O9 Pb S |
| SMILES | [Pb]12(OC(=O)c3c(S(=O)(O1)=O)cc(C(=O)O)cc3)[n]1ccccc1c1[n]2cccc1.O.O |
| Title of publication | Structural analyses and luminescent properties of a series of lead(ii) metal‒organic frameworks based on 2-sulfoterephthalate |
| Authors of publication | Ren, Yi-Xia; Zheng, Xiang-Jun; Jin, Lin-Pei |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 19 |
| Pages of publication | 5915 |
| a | 7.316 ± 0.0014 Å |
| b | 10.8418 ± 0.0014 Å |
| c | 12.355 ± 0.003 Å |
| α | 80.397 ± 0.003° |
| β | 87.938 ± 0.002° |
| γ | 83.928 ± 0.002° |
| Cell volume | 960.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180396 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/65. |
7206500.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206500.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206500.cif |
| 28000 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7206499, 7206500, 7206501, 7206502, 7206503, 7206504 via cif-deposit CGI script. |
7206500.cif |
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Users of the data should acknowledge the original authors of the
structural data.