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Information card for entry 7034325
Preview
| Coordinates | 7034325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H48 Cl6 Ir2 N4 |
|---|---|
| Calculated formula | C32 H48 Cl6 Ir2 N4 |
| SMILES | [Ir]12345([n]6n(Cn7[n]1c(cc7C)C)c(C)cc6C)(Cl)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Ir]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(Cl)(Cl)Cl.C(Cl)Cl |
| Title of publication | Synthesis of new heteroscorpionate iridium(i) and iridium(iii) complexes. |
| Authors of publication | Roa, A. E.; Campos, J.; Paneque, M.; Salazar, V.; Otero, A.; Lara-Sánchez, A; Rodríguez, A M; López-Solera, I; Gómez, M V |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 15 |
| Pages of publication | 6987 - 6998 |
| a | 9.9001 ± 0.0002 Å |
| b | 14.2474 ± 0.0003 Å |
| c | 26.5788 ± 0.0006 Å |
| α | 90° |
| β | 93.156 ± 0.001° |
| γ | 90° |
| Cell volume | 3743.27 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.0229 |
| Weighted residual factors for significantly intense reflections | 0.0528 |
| Weighted residual factors for all reflections included in the refinement | 0.0568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180049 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/43. |
7034325.cif |
| 134974 | 2015-04-06 | cif/ Updating files of 7034323, 7034324, 7034325, 7034326 Original log message: Adding full bibliography for 7034323--7034326.cif. |
7034325.cif |
| 133749 | 2015-03-10 | cif/ Adding structures of 7034323, 7034324, 7034325, 7034326 via cif-deposit CGI script. |
7034325.cif |
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Users of the data should acknowledge the original authors of the
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