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Information card for entry 7004948
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| Coordinates | 7004948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cyclooctadiene-(3,4,7,8-tetramethyl-1,10-phenanthroline,N,N')- chloro-iridium(i) chloromethane solvate |
|---|---|
| Chemical name | cyclooctadiene-(3,4,7,8-tetramethyl-1,10-phenanthroline,N,N')-chloro-iridium(I) chloromethane solvate |
| Formula | C25 H30 Cl3 Ir N2 |
| Calculated formula | C25 H28 Cl3 Ir N2 |
| Title of publication | Evaluation of the donor ability of phenanthrolines in iridium complexes by means of synchrotron radiation photoemission spectroscopy and DFT calculations. |
| Authors of publication | Crotti, Corrado; Farnetti, Erica; Filipuzzi, Serena; Stener, Mauro; Zangrando, Ennio; Moras, Paolo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 1 |
| Pages of publication | 133 - 142 |
| a | 15.439 ± 0.003 Å |
| b | 11.262 ± 0.003 Å |
| c | 14.071 ± 0.003 Å |
| α | 90° |
| β | 103.78 ± 0.02° |
| γ | 90° |
| Cell volume | 2376.2 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0614 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1562 |
| Weighted residual factors for all reflections included in the refinement | 0.161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179753 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/49. |
7004948.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004948.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004948.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7004948.cif |
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