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Information card for entry 1574880
Preview
| Coordinates | 1574880.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | I-Si |
|---|---|
| Formula | C104 H92 N4 O40 P4 Si W12 |
| Calculated formula | C104 H92 N4 O40 P4 Si W12 |
| Title of publication | Synthesis of a Keggin-type polyoxoselenidotungstate via site-selective oxygen-to-selenium substitution |
| Authors of publication | Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, Robert John; Yamaguchi, Kazuya; Suzuki, Kosuke |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 13.90582 ± 0.00011 Å |
| b | 15.07813 ± 0.00013 Å |
| c | 15.90307 ± 0.00014 Å |
| α | 112.371 ± 0.0008° |
| β | 104.294 ± 0.0007° |
| γ | 100.202 ± 0.0007° |
| Cell volume | 2848.02 ± 0.05 Å3 |
| Cell temperature | 178 ± 2 K |
| Ambient diffraction temperature | 178 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.0518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300097 (current) | 2025-06-17 | cif/ Adding structures of 1574880, 1574881 via cif-deposit CGI script. |
1574880.cif |
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