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Information card for entry 4001664
Preview
| Coordinates | 4001664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H14 F10 Ir N3 O4 |
|---|---|
| Calculated formula | C32 H14 F10 Ir N3 O4 |
| SMILES | Fc1c(c(c2c(c1)[Ir]13(OC(=O)c4[n]1cccc4)(c1cc(c(c(c1c1[n]3cccc1)F)C(=O)C(F)(F)F)F)n1c2cccc1)F)C(=O)C(F)(F)F |
| Title of publication | Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing |
| Authors of publication | Marín-Suárez, Marta; Curchod, Basile F. E.; Tavernelli, Ivano; Rothlisberger, Ursula; Scopelliti, Rosario; Jung, Il; Di Censo, Davide; Grätzel, Michael; Fernández-Sánchez, Jorge Fernando; Fernández-Gutiérrez, Alberto; Nazeeruddin, Md. Khaja; Baranoff, Etienne |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2012 |
| Journal volume | 24 |
| Journal issue | 12 |
| Pages of publication | 2330 |
| a | 20.248 ± 0.003 Å |
| b | 12.5782 ± 0.0014 Å |
| c | 15.3528 ± 0.001 Å |
| α | 90° |
| β | 91.222 ± 0.009° |
| γ | 90° |
| Cell volume | 3909.2 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001664.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001664.cif |
| 62274 | 2012-07-07 | cif/ Adding structures of 4001664 via cif-deposit CGI script. |
4001664.cif |
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