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Information card for entry 2300725
Preview
| Coordinates | 2300725.cif |
|---|---|
| Structure factors | 2300725.hkl |
| Original paper (by DOI) | HTML |
| Formula | C11 H10 O2 S |
|---|---|
| Calculated formula | C11 H10 O2 S |
| Title of publication | Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors. |
| Authors of publication | Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar |
| Journal of publication | Journal of applied crystallography |
| Year of publication | 2023 |
| Journal volume | 56 |
| Journal issue | Pt 5 |
| Pages of publication | 1322 - 1329 |
| a | 5.85 ± 0.002 Å |
| b | 8.924 ± 0.002 Å |
| c | 18.321 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 956.5 ± 0.4 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.014 |
| Residual factor for significantly intense reflections | 0.014 |
| Weighted residual factors for all reflections included in the refinement | 0.018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.288 |
| Diffraction radiation wavelength | 0.5134 Å |
| Diffraction radiation type | InKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286841 (current) | 2023-10-07 | cif/ Updating files of 2300712, 2300713, 2300714, 2300715, 2300716, 2300717, 2300718, 2300719, 2300720, 2300721, 2300722, 2300723, 2300724, 2300725 Original log message: Adding full bibliography for 2300712--2300725.cif. |
2300725.cif 2300725.hkl |
| 286222 | 2023-09-06 | cif/ hkl/ Adding structures of 2300712, 2300713, 2300714, 2300715, 2300716, 2300717, 2300718, 2300719, 2300720, 2300721, 2300722, 2300723, 2300724, 2300725 via cif-deposit CGI script. |
2300725.cif 2300725.hkl |
All data in the COD and the database itself are dedicated to the
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CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.