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Information card for entry 4339821
Preview
| Coordinates | 4339821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 04053 |
|---|---|
| Formula | C37 H26 Cl4 Ir2 N4 S4 |
| Calculated formula | C37 H26 Cl4 Ir2 N4 S4 |
| Title of publication | Selective low-temperature syntheses of facial and meridional tris-cyclometalated iridium(III) complexes. |
| Authors of publication | McGee, Kari A.; Mann, Kent R. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 19 |
| Pages of publication | 7800 - 7809 |
| a | 15.165 ± 0.002 Å |
| b | 21.011 ± 0.003 Å |
| c | 11.8879 ± 0.0018 Å |
| α | 90° |
| β | 102.626 ± 0.002° |
| γ | 90° |
| Cell volume | 3696.3 ± 0.9 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 | 0.0241 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0538 |
| Weighted residual factors for all reflections included in the refinement | 0.0553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4339821.cif |
| 179501 | 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 4/33/98. |
4339821.cif |
| 117563 | 2014-06-15 | cif/ Adding structures of 4339819, 4339820, 4339821, 4339822, 4339823, 4339824 via cif-deposit CGI script. |
4339821.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.