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Information card for entry 7111579
Preview
| Coordinates | 7111579.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H142 F12 N8 O24 P4 Pt2 S4 |
|---|---|
| Calculated formula | C144 H142 F12 N8 O24 P4 Pt2 S4 |
| SMILES | C1[P](c2ccccc2)(c2ccccc2)[Pt]2([n]3ccc(cc3)C#Cc3cc(c4N5CN(Cc4c3)c3c(C5)cc(C#Cc4cc[n](cc4)[Pt]4([n]5ccc(cc5)C#Cc5cc(c6N7CN(Cc6c5)c5c(C7)cc(C#Cc6cc[n]2cc6)cc5C)C)[P](CCC[P]4(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc3C)C)[P](CC1)(c1ccccc1)c1ccccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].O1CCOCC1.O1CCOCC1 |
| Title of publication | Formation of an heterochiral supramolecular cage by diastereomer self-discrimination: fluorescence enhancement and C60 sensing |
| Authors of publication | Arribas, Carlos Solano; Wendt, Ola F.; Sundin, Anders P.; Carling, Carl-Johan; Wang, Ruiyao; Lemieux, Robert P.; Wärnmark, Kenneth |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 24 |
| Pages of publication | 4381 - 4383 |
| a | 11.7008 ± 0.0014 Å |
| b | 16.243 ± 0.002 Å |
| c | 26.053 ± 0.004 Å |
| α | 81.532 ± 0.011° |
| β | 88.552 ± 0.01° |
| γ | 72.067 ± 0.011° |
| Cell volume | 4658.6 ± 1.1 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 | 0.2092 |
| Residual factor for significantly intense reflections | 0.138 |
| Weighted residual factors for significantly intense reflections | 0.333 |
| Weighted residual factors for all reflections included in the refinement | 0.3524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180229 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15. |
7111579.cif |
| 96674 | 2014-01-29 | cif/ Adding structures of 7111578, 7111579 via cif-deposit CGI script. |
7111579.cif |
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Users of the data should acknowledge the original authors of the
structural data.