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Information card for entry 4333313
Preview
| Coordinates | 4333313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H36 N6 O14 Pb2 S2 |
|---|---|
| Calculated formula | C44 H36 N6 O14 Pb2 S2 |
| SMILES | C(=O)(c1c(ccc(c1)S(=O)(=O)[O-])O)O[Pb]1([n]2ccccc2c2[n]1cccc2)([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Pb]1(OC(=O)c2c(ccc(c2)S(=O)(=O)[O-])O)([n]2ccccc2c2[n]1cccc2)[OH2] |
| Title of publication | Syntheses, structures, and characterizations of four new lead(II) 5-sulfosalicylate complexes with both chelating and bridging neutral ligands. |
| Authors of publication | Fan, Sai-Rong; Zhu, Long-Guan |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 16 |
| Pages of publication | 6785 - 6793 |
| a | 14.1956 ± 0.0008 Å |
| b | 10.9841 ± 0.0007 Å |
| c | 15.5903 ± 0.0009 Å |
| α | 90° |
| β | 116.482 ± 0.002° |
| γ | 90° |
| Cell volume | 2175.9 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0281 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.0642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4333313.cif |
| 179436 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/33. |
4333313.cif |
| 116741 | 2014-06-13 | cif/ Updating files of 4333312, 4333313, 4333314, 4333315 Original log message: Adding full bibliography for 4333312--4333315.cif. |
4333313.cif |
| 98924 | 2014-01-30 | cif/ Adding structures of 4333313 via cif-deposit CGI script. |
4333313.cif |
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