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Information card for entry 1554083
Preview
| Coordinates | 1554083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H17 F Fe N2 |
|---|---|
| Calculated formula | C20 H17 F Fe N2 |
| Title of publication | New Internal-Charge-Transfer Second-Order Nonlinear Optical Chromophores Based on the Donor Ferrocenylpyrazole Moiety |
| Authors of publication | Senthilkumar, Kabali; Pizzotti, Maddalena; Thirumoorthy, Krishnan; Di Carlo, Gabriele; Righetto, Stefania; Orbelli Biroli, Alessio; Haukka, Matti; Palanisami, Nallasamy |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2016 |
| Journal volume | 120 |
| Journal issue | 36 |
| Pages of publication | 20277 |
| a | 15.4527 ± 0.0002 Å |
| b | 9.963 ± 0.0001 Å |
| c | 10.9741 ± 0.0002 Å |
| α | 90° |
| β | 109.922 ± 0.002° |
| γ | 90° |
| Cell volume | 1588.41 ± 0.04 Å3 |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.031 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236549 (current) | 2019-11-24 | cif/ Adding structures of 1554082, 1554083, 1554084, 1554085 via cif-deposit CGI script. |
1554083.cif |
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Users of the data should acknowledge the original authors of the
structural data.