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Information card for entry 7007676
Preview
| Coordinates | 7007676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (1,4-bis(diphenylphosphino)propane)(2,9- dimethylphenanthroline) copper(i) (hexafluorophosphate) |
|---|---|
| Chemical name | (1,4-bis(diphenylphosphino)propane)(2,9-dimethylphenanthroline) copper(I) (hexafluorophosphate) |
| Formula | C82 H76 Cu2 F12 N4 P6 |
| Calculated formula | C41 H38 Cu F6 N2 P3 |
| SMILES | [Cu]12([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(ccc3ccc4ccc([n]2c4c13)C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | A series of luminescent Cu(I) mixed-ligand complexes containing 2,9-dimethyl-1,10-phenanthroline and simple diphosphine ligands. |
| Authors of publication | Saito, Ken; Arai, Takashi; Takahashi, Naoki; Tsukuda, Toshiaki; Tsubomura, Taro |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 37 |
| Pages of publication | 4444 - 4448 |
| a | 17.2378 ± 0.0009 Å |
| b | 15.4342 ± 0.0007 Å |
| c | 28.7424 ± 0.0014 Å |
| α | 90° |
| β | 102.727 ± 0.001° |
| γ | 90° |
| Cell volume | 7459.1 ± 0.6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0771 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1367 |
| Weighted residual factors for all reflections included in the refinement | 0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179780 (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 7/00/76. |
7007676.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007676.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007676.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007676.cif |
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