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Information card for entry 1516976
Preview
| Coordinates | 1516976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H13 F3 N3 O6 Re S |
|---|---|
| Calculated formula | C21 H13 F3 N3 O6 Re S |
| SMILES | [Re]1([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])(C#[O])[n]1cccc(c1)C#C.S(=O)(=O)([O-])C(F)(F)F |
| 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 | 13.1254 ± 0.0002 Å |
| b | 13.0009 ± 0.0002 Å |
| c | 13.7872 ± 0.0002 Å |
| α | 90° |
| β | 109.269 ± 0.002° |
| γ | 90° |
| Cell volume | 2220.88 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0158 |
| Residual factor for significantly intense reflections | 0.0144 |
| Weighted residual factors for significantly intense reflections | 0.0347 |
| Weighted residual factors for all reflections included in the refinement | 0.0352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| 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. |
1516976.cif |
| 176729 | 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 1. |
1516976.cif |
| 124663 | 2014-10-06 | cif/ Updating files of 1516976, 1516977, 1516978, 1516979 Original log message: Adding full bibliography for 1516976--1516979.cif. |
1516976.cif |
| 119804 | 2014-07-09 | cif/ Adding structures of 1516976, 1516977, 1516978, 1516979 via cif-deposit CGI script. |
1516976.cif |
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Users of the data should acknowledge the original authors of the
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