Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019466
Preview
| Coordinates | 2019466.cif |
|---|---|
| Structure factors | 2019466.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[diaqua[5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^]lead(II)]-μ-5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylato-κ^3^<i>N</i>^3^,<i>O</i>^4^:<i>N</i>^2^] dihydrate] |
|---|---|
| Formula | C20 H20 N6 O12 Pb |
| Calculated formula | C20 H20 N6 O12 Pb |
| SMILES | [Pb]12([OH2])([OH2])([n]3c(c4cccnc4)[nH]c(c3C(=O)O1)C(=O)O)[n]1c([nH]c(c1C(O2)=O)C(=O)O)c1ccc[n](c1)[Pb]12([OH2])([OH2])([n]3c(c4cccnc4)[nH]c(c3C(=O)O1)C(=O)O)[n]1c([nH]c(c1C(O2)=O)C(=O)O)c1cccnc1.O.O.O.O |
| Title of publication | A one-dimensional lead(II) coordination polymer with terminal and bridging 5-carboxy-2-(pyridin-3-yl)-1<i>H</i>-imidazole-4-carboxylate ligands |
| Authors of publication | Guo, Lei; Li, Jia-Qun; Xie, Yu-Ting; Lu, Chu-Qin; Wu, Jian-Zhong |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | 428 - 431 |
| a | 7.1384 ± 0.0019 Å |
| b | 18.424 ± 0.005 Å |
| c | 17.907 ± 0.005 Å |
| α | 90° |
| β | 90.984 ± 0.003° |
| γ | 90° |
| Cell volume | 2354.7 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0524 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019466.cif 2019466.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019466.cif 2019466.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019466.cif 2019466.hkl |
| 115935 | 2014-06-06 | cif/ Updating files of 2019466 Original log message: Adding full bibliography for 2019466.cif. |
2019466.cif 2019466.hkl |
| 109228 | 2014-04-10 | cif/ hkl/ Adding structures of 2019466 via cif-deposit CGI script. |
2019466.cif 2019466.hkl |
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.