Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018994
Preview
| Coordinates | 2018994.cif |
|---|---|
| Structure factors | 2018994.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]] |
|---|---|
| Formula | C10 H16 Cd Cl3 N |
| Calculated formula | C10 H16 Cd Cl3 N |
| SMILES | [Cd]12(Cl)(Cl)(Cl)[Cl][Cd]([Cl]1)[Cl]2.C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1 |
| Title of publication | A one-dimensional <i>ABX</i>~3~-type coordination polymer: <i>catena</i>-poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]] |
| Authors of publication | Wu, De-Hong; Jin, Lei |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | 491 - 493 |
| a | 6.7538 ± 0.0014 Å |
| b | 22.852 ± 0.005 Å |
| c | 8.959 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1382.7 ± 0.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0543 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 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 2/01/89. |
2018994.cif 2018994.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. |
2018994.cif 2018994.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018994.cif 2018994.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018994.cif 2018994.hkl |
| 86730 | 2013-07-11 | cif/ Adding structures of 2018994 via cif-deposit CGI script. |
2018994.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.