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Information card for entry 2236876
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| Coordinates | 2236876.cif |
|---|---|
| Structure factors | 2236876.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato- κ^2^<i>S</i>,<i>S</i>']lead(II) |
|---|---|
| Formula | C22 H32 O4 P2 Pb S4 |
| Calculated formula | C22 H32 O4 P2 Pb S4 |
| SMILES | [Pb]12([S]=P(S1)(OC(C)C)c1ccc(OCC)cc1)[S]=P(S2)(OC(C)C)c1ccc(OCC)cc1 |
| Title of publication | Bis[<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']lead(II) |
| Authors of publication | Sewpersad, Shirveen; Van Zyl, Werner E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1502 |
| a | 10.2092 ± 0.0008 Å |
| b | 11.7016 ± 0.001 Å |
| c | 12.9915 ± 0.001 Å |
| α | 89.297 ± 0.002° |
| β | 85.016 ± 0.002° |
| γ | 69.034 ± 0.001° |
| Cell volume | 1443.5 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0245 |
| Residual factor for significantly intense reflections | 0.02 |
| Weighted residual factors for significantly intense reflections | 0.0441 |
| Weighted residual factors for all reflections included in the refinement | 0.0454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181290 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/68. |
2236876.cif 2236876.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236876.cif 2236876.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236876.cif 2236876.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236876.cif 2236876.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236876.cif 2236876.hkl |
| 71137 | 2013-01-18 | cif/ Adding structures of 2236876 via cif-deposit CGI script. |
2236876.cif |
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Users of the data should acknowledge the original authors of the
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