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Information card for entry 7001473
Preview
| Coordinates | 7001473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bis-(1,1'-di-isopropyl-3,3'-methylene-diimidazoline-2,2'- diylidene) platinum(ii) dibromide |
|---|---|
| Chemical name | Bis-(1,1'-di-isopropyl-3,3'-methylene-diimidazoline-2,2'-diylidene) platinum(II) dibromide |
| Formula | C38 H76 Br2 N8 O6 Pt S6 |
| Calculated formula | C30 H52 Br2 N8 O2 Pt S2 |
| SMILES | S(=O)(C)C.[Br-].[Pt]12(=C3N(C=CN3C(C)C)CN3C=1N(C=C3)C(C)C)=C1N(C=CN1C(C)C)CN1C=2N(C=C1)C(C)C.S(=O)(C)C.[Br-] |
| Title of publication | Near-UV phosphorescent emitters: N-heterocyclic platinum(ii) tetracarbene complexes |
| Authors of publication | Unger, Yvonne; Zeller, Alexander; Taige, Maria A.; Strassner, Thomas |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 24 |
| Pages of publication | 4786 - 4794 |
| a | 11.896 ± 0.0014 Å |
| b | 11.985 ± 0.002 Å |
| c | 12.036 ± 0.002 Å |
| α | 71.532 ± 0.012° |
| β | 61.951 ± 0.012° |
| γ | 83.852 ± 0.013° |
| Cell volume | 1434.7 ± 0.4 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179712 (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 7/00/14. |
7001473.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001473.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001473.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001473.cif |
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