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Information card for entry 7129997
Preview
| Coordinates | 7129997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H91 N5 O19 V6 |
|---|---|
| Calculated formula | C62 H91 N5 O19 V6 |
| Title of publication | Mechanistic Insight into Rapid Oxygen-Atom Transfer from a Calix-Functionalized Polyoxovanadate |
| Authors of publication | Fertig, Alex A.; Cooney, Shannon E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 21.2605 ± 0.0002 Å |
| b | 17.6178 ± 0.0001 Å |
| c | 20.1094 ± 0.0002 Å |
| α | 90° |
| β | 104.83 ± 0.001° |
| γ | 90° |
| Cell volume | 7281.34 ± 0.11 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274602 (current) | 2022-04-21 | cif/ Adding structures of 7129996, 7129997 via cif-deposit CGI script. |
7129997.cif |
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Users of the data should acknowledge the original authors of the
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