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Information card for entry 7710947
Preview
| Coordinates | 7710947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H32 N4 O2 |
|---|---|
| Calculated formula | C33 H32 N4 O2 |
| Title of publication | The effect of outer-sphere anions on the spectroscopic response of metal-binding chemosensors |
| Authors of publication | Ihde, Michael Henry; Covey, Gabrielle; Johnson, Ashley D. G.; Fronczek, Frank R.; Wallace, Karl; Bonizzoni, Marco |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 11.3318 ± 0.0004 Å |
| b | 13.1141 ± 0.0005 Å |
| c | 18.3687 ± 0.0007 Å |
| α | 76.736 ± 0.003° |
| β | 88.534 ± 0.002° |
| γ | 86.056 ± 0.002° |
| Cell volume | 2650.46 ± 0.17 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1296 |
| Residual factor for significantly intense reflections | 0.0692 |
| Weighted residual factors for significantly intense reflections | 0.1705 |
| Weighted residual factors for all reflections included in the refinement | 0.2018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277209 (current) | 2022-08-12 | cif/ Adding structures of 7710947 via cif-deposit CGI script. |
7710947.cif |
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Users of the data should acknowledge the original authors of the
structural data.