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Information card for entry 7006093
Preview
| Coordinates | 7006093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H47 F12 Ir N8 O12 Pt2 S6 |
|---|---|
| Calculated formula | C54 H47 F12 Ir N8 O12 Pt2 S6 |
| SMILES | [Ir]123456789([c]%10([cH]1[cH]2[c]3(S[Pt]12[n]3ccccc3c3cccc([n]13)c1cccc[n]21)[cH]4[cH]5%10)S[Pt]12[n]3ccccc3c3[n]1c(ccc3)c1cccc[n]21)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.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.C(#N)C.C(#N)C |
| Title of publication | Luminescent 1D chain of platinum(II) terpyridyl units with p-dithiobenzoquinone organometallic linker: self-aggregation imparted from Pt...Pt/pi-pi interactions. |
| Authors of publication | Moussa, Jamal; Man-Chung Wong, Keith; Chamoreau, Lise-Marie; Amouri, Hani; Wing-Wah Yam, Vivian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 32 |
| Pages of publication | 3526 - 3530 |
| a | 12.836 ± 0.002 Å |
| b | 16.1552 ± 0.001 Å |
| c | 17.537 ± 0.002 Å |
| α | 69.378 ± 0.006° |
| β | 89.134 ± 0.009° |
| γ | 75.192 ± 0.008° |
| Cell volume | 3279.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.142 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1421 |
| Weighted residual factors for all reflections included in the refinement | 0.1695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179764 (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 7/00/60. |
7006093.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006093.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006093.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006093.cif |
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Users of the data should acknowledge the original authors of the
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