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Information card for entry 7202073
Preview
| Coordinates | 7202073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 Pb S2 |
|---|---|
| Calculated formula | C12 H10 Pb S2 |
| Title of publication | Polymorphism of lead(ii) benzenethiolate: a noncentrosymmetric new allotropic form of Pb(SPh)2 |
| Authors of publication | Giffard, Michel; Mercier, Nicolas; Gravoueille, Benoît; Ripaud, Emilie; Luc, Jerôme; Sahraoui, Bouchta |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 8 |
| Pages of publication | 968 |
| a | 27.0798 ± 0.0013 Å |
| b | 5.7437 ± 0.0003 Å |
| c | 7.452 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1159.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P m c n |
| Hall space group symbol | -P 2n 2a |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for all reflections included in the refinement | 0.0627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7202073.cif |
| 180351 | 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 7/20/20. |
7202073.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202073.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202073.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202073.cif |
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Users of the data should acknowledge the original authors of the
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