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Information card for entry 7028501
Preview
| Coordinates | 7028501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36.5 H38 Br Cl F6 Ir N6 O0.5 P |
|---|---|
| Calculated formula | C32 H27 Br F6 Ir N6 P |
| Title of publication | Pyridine imines as ligands in luminescent iridium complexes. |
| Authors of publication | Davies, David L.; Lelj, Francesco; Lowe, Mark P.; Ryder, Karl S.; Singh, Kuldip; Singh, Shalini |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 10 |
| Pages of publication | 4026 - 4039 |
| a | 10.898 ± 0.002 Å |
| b | 12.91 ± 0.003 Å |
| c | 27.523 ± 0.006 Å |
| α | 90.069 ± 0.004° |
| β | 98.453 ± 0.004° |
| γ | 97.286 ± 0.004° |
| Cell volume | 3798.5 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7028501.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7028501.cif |
| 105347 | 2014-03-12 | cif/ Adding structures of 7028501, 7028502, 7028503, 7028504, 7028505, 7028506, 7028507 via cif-deposit CGI script. |
7028501.cif |
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Users of the data should acknowledge the original authors of the
structural data.