Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1516979
Preview
| Coordinates | 1516979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H31 Au F3 N4 O6.5 P Re S |
|---|---|
| Calculated formula | C37 H31 Au F3 N4 O6.5 P Re S |
| SMILES | [Au]([n]1ccn([Re]2(C#[O])(C#[O])(C#[O])[n]3ccccc3c3[n]2cccc3)c1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.O(CC)CC |
| Title of publication | Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy |
| Authors of publication | Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción |
| Journal of publication | Chem. Sci. |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 11 |
| Pages of publication | 4434 |
| a | 13.0494 ± 0.0002 Å |
| b | 13.4519 ± 0.0002 Å |
| c | 22.5256 ± 0.0004 Å |
| α | 95.947 ± 0.001° |
| β | 99.847 ± 0.001° |
| γ | 102.157 ± 0.001° |
| Cell volume | 3768.28 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0525 |
| Weighted residual factors for all reflections included in the refinement | 0.0533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
1516979.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1516979.cif |
| 124663 | 2014-10-06 | cif/ Updating files of 1516976, 1516977, 1516978, 1516979 Original log message: Adding full bibliography for 1516976--1516979.cif. |
1516979.cif |
| 119804 | 2014-07-09 | cif/ Adding structures of 1516976, 1516977, 1516978, 1516979 via cif-deposit CGI script. |
1516979.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.