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Information card for entry 4122296
Preview
| Coordinates | 4122296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H45.5 F24 N8.5 Sb4 |
|---|---|
| Calculated formula | C45 H45.5 F24 N8.5 Sb4 |
| SMILES | [Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)([F-])(F)F.[n+]12ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)C2.N#CC.N#CC.N#CC.N#CC.N#CC |
| Title of publication | Solid-state characterization and photoinduced intramolecular electron transfer in a nanoconfined octacationic homo[2]catenane. |
| Authors of publication | Barnes, Jonathan C.; Frasconi, Marco; Young, Ryan M.; Khdary, Nezar H.; Liu, Wei-Guang; Dyar, Scott M.; McGonigal, Paul R.; Gibbs-Hall, Ian C; Diercks, Christian S.; Sarjeant, Amy A.; Stern, Charlotte L.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 30 |
| Pages of publication | 10569 - 10572 |
| a | 16.4947 ± 0.0007 Å |
| b | 16.7464 ± 0.0007 Å |
| c | 22.8838 ± 0.001 Å |
| α | 86.675 ± 0.002° |
| β | 78.45 ± 0.002° |
| γ | 71.512 ± 0.002° |
| Cell volume | 5873.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1005 |
| Residual factor for significantly intense reflections | 0.0886 |
| Weighted residual factors for significantly intense reflections | 0.2435 |
| Weighted residual factors for all reflections included in the refinement | 0.2552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190287 (current) | 2017-01-09 | cif/4: Fixing Z values and formulae |
4122296.cif |
| 179024 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/22. |
4122296.cif |
| 121257 | 2014-08-05 | cif/ Updating files of 4122296 Original log message: Adding full bibliography for 4122296.cif. |
4122296.cif |
| 120631 | 2014-07-22 | cif/ Adding structures of 4122296 via cif-deposit CGI script. |
4122296.cif |
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