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Information card for entry 8104711
Preview
| Coordinates | 8104711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H46 N10 O8 |
|---|---|
| Calculated formula | C31 H46 N10 O8 |
| Title of publication | Crystal structure of N′,N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis(methaneylylidene))-di(isonicotinohydrazide)– water – dimethylformamide (1/4/2), C25H24N8O2·4H2O·2C3H7NO |
| Authors of publication | Xiong, Ying; An, Ya |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 785 - 787 |
| a | 8.8207 ± 0.0006 Å |
| b | 9.7818 ± 0.0008 Å |
| c | 20.9498 ± 0.0017 Å |
| α | 90° |
| β | 97.259 ± 0.003° |
| γ | 90° |
| Cell volume | 1793.1 ± 0.2 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 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 | 0.0571 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1208 |
| Weighted residual factors for all reflections included in the refinement | 0.1269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273588 (current) | 2022-03-10 | cif/ Adding structures of 8104711 via cif-deposit CGI script. |
8104711.cif |
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Users of the data should acknowledge the original authors of the
structural data.