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Information card for entry 8104652
Preview
| Coordinates | 8104652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H34 N8 O7 |
|---|---|
| Calculated formula | C25 H34 N8 O7 |
| Title of publication | Crystal structure of N′,N′′′-((1E,1′E)-(propane-2,2-diylbis(1H-pyrrole-5,2diyl))bis(methaneylylidene))di(nicotinohydrazide) pentahydrate, C25H24N8O2·5H2O |
| Authors of publication | Zhou, Yi; Zhang, Min; Xiong, Ying |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 1011 - 1013 |
| a | 7.507 ± 0.002 Å |
| b | 8.0276 ± 0.0018 Å |
| c | 23.653 ± 0.006 Å |
| α | 93.062 ± 0.008° |
| β | 97.015 ± 0.009° |
| γ | 99.478 ± 0.008° |
| Cell volume | 1391.5 ± 0.6 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0587 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1366 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273480 (current) | 2022-03-07 | cif/ Adding structures of 8104652 via cif-deposit CGI script. |
8104652.cif |
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Users of the data should acknowledge the original authors of the
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