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Information card for entry 1557680
Preview
| Coordinates | 1557680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H42 N7 Na Zn |
|---|---|
| Calculated formula | C39 H42 N7 Na Zn |
| Title of publication | A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity |
| Authors of publication | Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 25 |
| Pages of publication | 6510 - 6520 |
| a | 8.8556 ± 0.0002 Å |
| b | 17.4144 ± 0.0004 Å |
| c | 23.9796 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3698.01 ± 0.14 Å3 |
| Cell temperature | 123.05 ± 0.1 K |
| Ambient diffraction temperature | 123.05 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.883 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257340 (current) | 2020-10-06 | cif/ Updating files of 1557679, 1557680, 1557681, 1557682 Original log message: Adding full bibliography for 1557679--1557682.cif. |
1557680.cif |
| 253845 | 2020-07-06 | cif/ Updating files of 1557679, 1557680, 1557681, 1557682 Original log message: Adding full bibliography for 1557679--1557682.cif. |
1557680.cif |
| 249812 | 2020-03-28 | cif/ Adding structures of 1557679, 1557680, 1557681, 1557682 via cif-deposit CGI script. |
1557680.cif |
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Users of the data should acknowledge the original authors of the
structural data.