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Information card for entry 1565976
Preview
| Coordinates | 1565976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H126 F2 N4 O34 V12 |
|---|---|
| Calculated formula | C59 H126 F2 N4 O34 V12 |
| Title of publication | Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species |
| Authors of publication | Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 2438 - 2445 |
| a | 17.7995 ± 0.0004 Å |
| b | 23.6442 ± 0.0005 Å |
| c | 20.9424 ± 0.0004 Å |
| α | 90° |
| β | 91.945 ± 0.001° |
| γ | 90° |
| Cell volume | 8808.6 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274936 (current) | 2022-05-05 | cif/ Updating files of 1565975, 1565976, 1565977 Original log message: Adding full bibliography for 1565975--1565977.cif. |
1565976.cif |
| 272023 | 2022-01-14 | cif/ Adding structures of 1565975, 1565976, 1565977 via cif-deposit CGI script. |
1565976.cif |
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Users of the data should acknowledge the original authors of the
structural data.