Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018944
Preview
| Coordinates | 2018944.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[dibromidocadmium(II)]-μ~3~-1-[(pyridin-3-yl)methyl]-2-[4-(pyridin-3-yl)phenyl]-1<i>H</i>-benzimidazole] monohydrate] |
|---|---|
| Formula | C24 H20 Br2 Cd N4 O |
| Calculated formula | C24 H20 Br2 Cd N4 O |
| SMILES | [Cd]1(Br)(Br)[n]2c(n(c3c2cccc3)Cc2cccnc2)c2ccc(cc2)c2ccc[n](c2)[Cd]2(Br)(Br)[n]3c(c4ccc(c5ccc[n]1c5)cc4)n(c1c3cccc1)Cc1ccc[n](c1)[Cd]1(Br)(Br)[n]3c(n(c4c3cccc4)Cc3ccc[n]2c3)c2ccc(cc2)c2ccc[n](c2)[Cd](Br)(Br)[n]2c(c3ccc(c4ccc[n]1c4)cc3)n(c1c2cccc1)Cc1cccnc1.O.O.O.O |
| Title of publication | Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I) |
| Authors of publication | Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | 476 - 479 |
| a | 9.379 ± 0.002 Å |
| b | 10.023 ± 0.002 Å |
| c | 13.773 ± 0.003 Å |
| α | 101.504 ± 0.003° |
| β | 107.424 ± 0.003° |
| γ | 99.561 ± 0.003° |
| Cell volume | 1174.7 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0786 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1669 |
| Weighted residual factors for all reflections included in the refinement | 0.1784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2018944.cif |
| 86473 | 2013-07-11 | cif/ Adding structures of 2018944, 2018945 via cif-deposit CGI script. |
2018944.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.