Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2234203
Preview
| Coordinates | 2234203.cif |
|---|---|
| Structure factors | 2234203.hkl |
| Original IUCr paper | HTML |
| Common name | (D-penicillaminato)lead(II) |
|---|---|
| Chemical name | <i>catena</i>-poly[(μ-2-amino-3-methyl-3-sulfidobutanoato)lead(II)] |
| Formula | C5 H9 N O2 Pb S |
| Calculated formula | C5 H9 N O2 Pb S |
| SMILES | C1([C@@H]2C(=O)O[Pb]([NH2]2)S1)(C)C |
| Title of publication | Redetermination of (<small>D</small>-penicillaminato)lead(II) |
| Authors of publication | Schell, Adam C.; Parvez, Masood; Jalilehvand, Farideh |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m489 - m490 |
| a | 6.251 ± 0.004 Å |
| b | 6.179 ± 0.003 Å |
| c | 10.259 ± 0.006 Å |
| α | 90° |
| β | 107.72 ± 0.02° |
| γ | 90° |
| Cell volume | 377.5 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0816 |
| Weighted residual factors for all reflections included in the refinement | 0.0846 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181264 (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 2/23/42. |
2234203.cif 2234203.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. |
2234203.cif 2234203.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234203.cif 2234203.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. | 2234203.cif 2234203.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234203.cif 2234203.hkl |
| 55469 | 2012-05-05 | cif/ Adding structures of 2234203 via cif-deposit CGI script. |
2234203.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.