Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4339940
Preview
| Coordinates | 4339940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H49 Cl2 Ir2 N9 O8 |
|---|---|
| Calculated formula | C68 H49 Cl2 Ir2 N9 O8 |
| SMILES | [Ir]123([n]4ccccc4c4[n]1c1c(cc4)c4c([n]5[Ir]67([n]8c(c5cc4)cccc8)([n]4c(c5c6cccc5)cccc4)[n]4c(c5c7cccc5)cccc4)cc1)([n]1c(c4c2cccc4)cccc1)[n]1c(c2c3cccc2)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC |
| Title of publication | Bimetallic iridium(III) complexes consisting of Ir(ppy)(2) units (ppy = 2-phenylpyridine) and two laterally connected N/Ν chelates as bridge: synthesis, separation, and photophysical properties. |
| Authors of publication | Auffrant, Audrey; Barbieri, Andrea; Barigelletti, Francesco; Lacour, Jérôme; Mobian, Pierre; Collin, Jean-Paul; Sauvage, Jean-Pierre; Ventura, Barbara |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 17 |
| Pages of publication | 6911 - 6919 |
| a | 51.366 ± 0.0006 Å |
| b | 15.024 ± 0.0002 Å |
| c | 16.383 ± 0.0002 Å |
| α | 90° |
| β | 107.887 ± 0.0006° |
| γ | 90° |
| Cell volume | 12032 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1014 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179502 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99. |
4339940.cif |
| 117629 | 2014-06-15 | cif/ Adding structures of 4339940 via cif-deposit CGI script. |
4339940.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.