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Information card for entry 4327813
Preview
| Coordinates | 4327813.cif |
|---|---|
| Structure factors | 4327813.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H17 N3 Pb S2 |
|---|---|
| Calculated formula | C10 H17 N3 Pb S2 |
| Title of publication | Synthesis, Characterization, and Calculated Electronic Structure of the Crystalline Metal-Organic Polymers [Hg(SC6H4S)(en)]n and [Pb(SC6H4S)(dien)]n |
| Authors of publication | Dayna L. Turner; Kevin H. Stone; Peter W. Stephens; Aron Walsh; Mayank Pratap Singh; Thomas P. Vaid |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 370 - 376 |
| a | 7.3106 ± 0.0003 Å |
| b | 10.2825 ± 0.0004 Å |
| c | 10.2809 ± 0.0004 Å |
| α | 61.186 ± 0.003° |
| β | 86.117 ± 0.003° |
| γ | 86.053 ± 0.003° |
| Cell volume | 675.01 ± 0.05 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor R(I) for significantly intense reflections | 1.872 |
| Goodness-of-fit parameter for all reflections | 1.746 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.69702 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4327813.cif 4327813.hkl |
| 181931 | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/32. |
4327813.cif 4327813.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4327813.cif 4327813.hkl |
| 179381 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78. |
4327813.cif 4327813.hkl |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4327813.cif 4327813.hkl |
| 76863 | 2013-03-21 | cif/ hkl/ Updating files of 4327813 Original log message: Adding Fobs data. |
4327813.cif 4327813.hkl |
| 76735 | 2013-03-21 | cif/ Adding structures of 4327813 via cif-deposit CGI script. |
4327813.cif |
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