Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016913
Preview
| Coordinates | 7016913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 N3 O4 Re |
|---|---|
| Calculated formula | C16 H12 N3 O4 Re |
| SMILES | C(#[O])[Re]12(C#[O])(C#[O])N(C(c3cccc[n]23)c2cccc[n]12)C(=O)C |
| Title of publication | Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications. |
| Authors of publication | Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 39 |
| Pages of publication | 10215 - 10228 |
| a | 8.6598 ± 0.0001 Å |
| b | 8.7143 ± 0.0001 Å |
| c | 11.564 ± 0.0002 Å |
| α | 77.87 ± 0.001° |
| β | 88.862 ± 0.001° |
| γ | 70.192 ± 0.001° |
| Cell volume | 801.45 ± 0.02 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0166 |
| Residual factor for significantly intense reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0388 |
| Weighted residual factors for all reflections included in the refinement | 0.039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179873 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/69. |
7016913.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016913.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016913.cif |
| 28108 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016912, 7016913, 7016914, 7016915, 7016916, 7016917, 7016918, 7016919 via cif-deposit CGI script. |
7016913.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.