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Information card for entry 4085565
Preview
| Coordinates | 4085565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94.06 H56.37 Cl3.69 Ir N |
|---|---|
| Calculated formula | C94.058 H56.372 Cl3.686 Ir N |
| Title of publication | Coordination Complexes of Pentamethylcyclopentadienyl Iridium(III) Diiodide with Tin(II) Phthalocyanine and Pentamethylcyclopentadienyl Iridium(II) Halide with Fullerene C60‒Anions |
| Authors of publication | Konarev, Dmitri V.; Troyanov, Sergey I.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 5 |
| Pages of publication | 879 |
| a | 27.517 ± 0.002 Å |
| b | 15.031 ± 0.001 Å |
| c | 30.299 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12531.9 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1232 |
| Residual factor for significantly intense reflections | 0.1148 |
| Weighted residual factors for significantly intense reflections | 0.2615 |
| Weighted residual factors for all reflections included in the refinement | 0.2645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.84344 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178744 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55. |
4085565.cif |
| 134865 | 2015-04-04 | cif/ Updating files of 4085565, 4085566, 4085567, 4085568 Original log message: Adding full bibliography for 4085565--4085568.cif. |
4085565.cif |
| 132515 | 2015-02-27 | cif/ Adding structures of 4085565 via cif-deposit CGI script. |
4085565.cif |
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Users of the data should acknowledge the original authors of the
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