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Information card for entry 7010621
Preview
| Coordinates | 7010621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H30 F12 N4 Ni P2 |
|---|---|
| Calculated formula | C26 H30 F12 N4 Ni P2 |
| SMILES | [Ni]123[N]4(CCC[N]1=C(c1[n]3c(C(=[N]2CCC4)C)ccc1)C)Cc1cc2c(cc1)cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | A novel fluorescence redox switch based on the formal NiII/NiI couple † |
| Authors of publication | Di Casa, Michela; Fabbrizzi, Luigi; Licchelli, Maurizio; Poggi, Antonio; Sacchi, Donata; Zema, Michele |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 11 |
| Pages of publication | 1671 |
| a | 6.922 ± 0.005 Å |
| b | 18.364 ± 0.01 Å |
| c | 11.729 ± 0.01 Å |
| α | 90° |
| β | 101.91 ± 0.06° |
| γ | 90° |
| Cell volume | 1458.8 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2961 |
| Residual factor for significantly intense reflections | 0.102 |
| Weighted residual factors for significantly intense reflections | 0.2292 |
| Weighted residual factors for all reflections included in the refinement | 0.316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.844 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010621.cif |
| 179810 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/06. |
7010621.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010621.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010621.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010621.cif |
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