Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2238574
Preview
| Coordinates | 2238574.cif |
|---|---|
| Structure factors | 2238574.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-chlorido-dichloridobis{8-[2-(dimethylamino)ethylamino]quinoline}dicadmium monohydrate |
|---|---|
| Formula | C26 H36 Cd2 Cl4 N6 O |
| Calculated formula | C26 H36 Cd2 Cl4 N6 O |
| SMILES | c1ccc2c3c(ccc2)[NH]2CC[N](C)([Cd]42([n]13)([Cl][Cd]12([n]3cccc5c3c(ccc5)[NH]1CC[N]2(C)C)([Cl]4)Cl)Cl)C.O |
| Title of publication | Di-μ-chlorido-dichloridobis{8-[2-(dimethylamino)ethylamino]quinoline}dicadmium monohydrate |
| Authors of publication | Al-Sudani, Abdul-Razak H.; Kariuki, Benson M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | m491 - m492 |
| a | 20.7162 ± 0.0003 Å |
| b | 10.159 ± 0.0002 Å |
| c | 15.5574 ± 0.0003 Å |
| α | 90° |
| β | 107.315 ± 0.001° |
| γ | 90° |
| Cell volume | 3125.77 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0237 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.052 |
| Weighted residual factors for all reflections included in the refinement | 0.0533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181307 (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 2/23/85. |
2238574.cif 2238574.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. |
2238574.cif 2238574.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238574.cif 2238574.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238574.cif 2238574.hkl |
| 88719 | 2013-10-02 | cif/ Adding structures of 2238574 via cif-deposit CGI script. |
2238574.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.