Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7214892
Preview
| Coordinates | 7214892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H30 Br2 La N11 O11 S2 |
|---|---|
| Calculated formula | C38 H30 Br2 La N11 O11 S2 |
| SMILES | c1ccc2c3c(c4c5[n]([La]6789([n]1c25)(ON(=[O]7)=O)(ON(=O)=[O]9)([n]1cccc2c5c(c7ccc[n]6c7c12)nc([nH]5)c1sc(Br)cc1)ON(=[O]8)=O)ccc4)nc([nH]3)c1sc(Br)cc1.C(O)C.OCC |
| Title of publication | Comparative structural and spectral analyses for mononuclear and dinuclear metal complexes of 2-thiophen and 2-(5-bromothiophen) imidazo[4,5-f][1,10]phenanthroline |
| Authors of publication | Xu, Feng; Peng, Yu-Xin; Hu, Bin; Tao, Tao; Huang, Wei |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 23 |
| Pages of publication | 8023 |
| a | 25.896 ± 0.005 Å |
| b | 9.8455 ± 0.0019 Å |
| c | 18.182 ± 0.003 Å |
| α | 90° |
| β | 110.564 ± 0.002° |
| γ | 90° |
| Cell volume | 4340.3 ± 1.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0278 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0602 |
| Weighted residual factors for all reflections included in the refinement | 0.0613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7214892.cif |
| 180479 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/48. |
7214892.cif |
| 110988 | 2014-04-20 | cif/ Adding structures of 7214885, 7214886, 7214887, 7214888, 7214889, 7214890, 7214891, 7214892, 7214893, 7214894 via cif-deposit CGI script. |
7214892.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.