Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7015693
Preview
| Coordinates | 7015693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H18 Ag F3 N2 O8 S |
|---|---|
| Calculated formula | C23 H18 Ag F3 N2 O8 S |
| SMILES | [Ag]1([n]2c(c3[n]1c1ccccc1c(c3)C(=O)OC)cc(c1ccccc21)C(=O)OC)[OH2].C(S(=O)(=O)[O-])(F)(F)F |
| Title of publication | 2,2'-Biquinolines as test pilots for tuning the colour emission of luminescent mesomorphic silver(I) complexes. |
| Authors of publication | Pucci, Daniela; Crispini, Alessandra; Ghedini, Mauro; Szerb, Elisabeta I.; La Deda, Massimo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4614 - 4622 |
| a | 7.2305 ± 0.0016 Å |
| b | 12.765 ± 0.003 Å |
| c | 13.307 ± 0.003 Å |
| α | 83.416 ± 0.01° |
| β | 81.94 ± 0.01° |
| γ | 86.948 ± 0.01° |
| Cell volume | 1207.2 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179860 (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 7/01/56. |
7015693.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015693.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015693.cif |
| 21221 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015692, 7015693 via cif-deposit CGI script. |
7015693.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.