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Information card for entry 8105065
Preview
| Coordinates | 8105065.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H25 N9 O4 |
|---|---|
| Calculated formula | C21 H25 N9 O4 |
| Title of publication | Crystal structure of N′2,N′6-bis((E)-1-(pyrazin-2-yl)ethylidene)pyridine-2,6-dicarbohydrazide — methanol (1/2), C21H25N9O4 |
| Authors of publication | Xiangqing, Fang; Ren, Wang; Kai, Du; Jia, Gu; Liguo, Yang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 235 |
| Journal issue | 1 |
| Pages of publication | 223 - 224 |
| a | 10.277 ± 0.003 Å |
| b | 10.081 ± 0.003 Å |
| c | 11.264 ± 0.004 Å |
| α | 90° |
| β | 104.582 ± 0.004° |
| γ | 90° |
| Cell volume | 1129.4 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274679 (current) | 2022-04-26 | cif/ Adding structures of 8105065 via cif-deposit CGI script. |
8105065.cif |
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Users of the data should acknowledge the original authors of the
structural data.