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Information card for entry 8104845
Preview
| Coordinates | 8104845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H39 Cl N2 O4 |
|---|---|
| Calculated formula | C23 H39 Cl N2 O4 |
| Title of publication | Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4 |
| Authors of publication | Liu, Xiao-jing; Li, Zhuang-yu; Liu, E; Jian, Fang-fang; Liang, Tong-ling |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 2 |
| Pages of publication | 405 - 407 |
| a | 9.0752 ± 0.0019 Å |
| b | 9.542 ± 0.002 Å |
| c | 16.049 ± 0.003 Å |
| α | 99.088 ± 0.004° |
| β | 94.422 ± 0.004° |
| γ | 107.146 ± 0.004° |
| Cell volume | 1300 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1429 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.1854 |
| Weighted residual factors for all reflections included in the refinement | 0.2298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273928 (current) | 2022-03-23 | cif/ Adding structures of 8104845 via cif-deposit CGI script. |
8104845.cif |
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Users of the data should acknowledge the original authors of the
structural data.