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Information card for entry 4070527
Preview
| Coordinates | 4070527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H24 Cl3 N3 Pt |
|---|---|
| Calculated formula | C21 H24 Cl3 N3 Pt |
| SMILES | [Pt]12(Cl)(Cl)(Cl)[N](Cc3c2c(cc(c3)/C=C/c2ccc(cc2)C#N)C[N]1(C)C)(C)C |
| Title of publication | Substituted 4,4′-Stilbenoid NCN-Pincer Platinum(II) Complexes. Luminescence and Tuning of the Electronic and NLO Properties and the Application in an OLED |
| Authors of publication | Batema, Guido D.; Lutz, Martin; Spek, Anthony L.; van Walree, Cornelis A.; Donegá, Celso de Mello; Meijerink, Andries; Havenith, Remco W. A.; Pérez-Moreno, Javier; Clays, Koen; Büchel, Michael; Dijken, Addy van; Bryce, David L.; van Klink, Gerard P. M.; Koten, Gerard van |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1690 |
| a | 25.7528 ± 0.0004 Å |
| b | 6.9451 ± 0.0001 Å |
| c | 24.4159 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4366.92 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0625 |
| Weighted residual factors for all reflections included in the refinement | 0.0654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178594 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05. |
4070527.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070527.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070527.cif |
| 42541 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070527 via cif-deposit CGI script. |
4070527.cif |
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Users of the data should acknowledge the original authors of the
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