Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101977
Preview
| Coordinates | 8101977.cif |
|---|
| Chemical name | chloro-acrylato-bis(1,10-phenanthroline)-cadmium(II) |
|---|---|
| Formula | C27 H19 Cd Cl N4 O2 |
| Calculated formula | C27 H19 Cd Cl N4 O2 |
| SMILES | [Cd]123(Cl)([O]=C(C=C)O1)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12 |
| Title of publication | Crystal structure of chloro(acrylato-O,O')bis(1,10-phenanthroline- N,N')cadmium(II), CdCl(C~3~H~3~O~2~)(C~12~H~8~N~2~)~2~ |
| Authors of publication | Cai, T.-J.; Jiang, W.-J.; Peng, Z.-S.; Long, Y.-F.; Deng, Q. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 2 |
| Pages of publication | 231 - 232 |
| a | 9.485 ± 0.003 Å |
| b | 10.65 ± 0.003 Å |
| c | 13.167 ± 0.004 Å |
| α | 80.904 ± 0.007° |
| β | 85.256 ± 0.007° |
| γ | 66.161 ± 0.006° |
| Cell volume | 1201 ± 0.6 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0272 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101977.cif |
| 107948 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101977.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101977.cif |
| 12716 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101977 via cif-deposit CGI script. |
8101977.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.