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Information card for entry 1565047
Preview
| Coordinates | 1565047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H20 Br3 Cr O2 |
|---|---|
| Calculated formula | C11 H20 Br3 Cr O2 |
| SMILES | [Cr]1(Br)(Br)(Br)(=C2C(=C2CC)CC)[O](C)CC[O]1C |
| Title of publication | Chromium carbides and cyclopropenylidenes |
| Authors of publication | Kurogi, Takashi; Irifune, Keiichi; Takai, Kazuhiko |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 10.606 ± 0.003 Å |
| b | 11.192 ± 0.003 Å |
| c | 13.906 ± 0.004 Å |
| α | 90° |
| β | 102.494 ± 0.003° |
| γ | 90° |
| Cell volume | 1611.6 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.0584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270105 (current) | 2021-10-29 | cif/ Adding structures of 1565046, 1565047 via cif-deposit CGI script. |
1565047.cif |
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Users of the data should acknowledge the original authors of the
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