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Information card for entry 7207311
Preview
| Coordinates | 7207311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 7-(Methylsulfinyl)-14-phenylbenzo(5,6)tetraceno(1,12,11,10- jklmna)acridin-14-ium hexafluorophosphate(V), acetonitrile solvate |
|---|---|
| Chemical name | 7-(Methylsulfinyl)-14-phenylbenzo[5,6]tetraceno[1,12,11,10-jklmna]acridin-14-ium hexafluorophosphate(V), acetonitrile solvate |
| Formula | C36 H23 F6 N2 O P S |
| Calculated formula | C36 H23 F6 N2 O P S |
| Title of publication | Photoinduced charge shift and charge recombination through an alkynyl spacer for an expanded acridinium-based dyad. |
| Authors of publication | Benniston, Andrew C.; Hagon, Jerry; He, Xiaoyan; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 3194 - 3199 |
| a | 13.773 ± 0.004 Å |
| b | 6.7999 ± 0.0018 Å |
| c | 15.291 ± 0.004 Å |
| α | 90° |
| β | 96.715 ± 0.003° |
| γ | 90° |
| Cell volume | 1422.3 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0909 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.2157 |
| Weighted residual factors for all reflections included in the refinement | 0.2342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.6709 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180404 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/73. |
7207311.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207311.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207311.cif |
| 33569 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7207311 via cif-deposit CGI script. |
7207311.cif |
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Users of the data should acknowledge the original authors of the
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