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Information card for entry 4081419
Preview
| Coordinates | 4081419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H47 F12 Ir N8 O12 Pt2 S4 Se2 |
|---|---|
| Calculated formula | C54 H47 F12 Ir N8 O12 Pt2 S4 Se2 |
| SMILES | [Pt]12([Se][c]34[cH]5[Ir]6789%10%11%123([cH]5[c]6([Se][Pt]35[n]6ccccc6c6cccc([n]36)c3[n]5cccc3)[cH]7[cH]48)[c]3([c]9([c]%10([c]%11([c]%123C)C)C)C)C)[n]3ccccc3c3cccc([n]13)c1cccc[n]21.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N#CC.N#CC |
| Title of publication | Dinuclear Platinum(II) Terpyridyl Complexes with apara-Diselenobenzoquinone Organometallic Linker: Synthesis, Structures, and Room-Temperature Phosphorescence |
| Authors of publication | Moussa, Jamal; Wong, Keith Man-Chung; Le Goff, Xavier F.; Rager, Marie Noelle; Chan, Carmen Ka-Man; Yam, Vivian Wing-Wah; Amouri, Hani |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 17 |
| Pages of publication | 4985 |
| a | 12.69 ± 0.001 Å |
| b | 16.024 ± 0.001 Å |
| c | 17.34 ± 0.001 Å |
| α | 69.701 ± 0.001° |
| β | 88.746 ± 0.001° |
| γ | 75.607 ± 0.001° |
| Cell volume | 3195.2 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0961 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178703 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/14. |
4081419.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4081419.cif |
| 89229 | 2013-10-09 | cif/ Adding structures of 4081419, 4081420 via cif-deposit CGI script. |
4081419.cif |
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Users of the data should acknowledge the original authors of the
structural data.