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Information card for entry 8105951
Preview
| Coordinates | 8105951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H26 N4 O8 |
|---|---|
| Calculated formula | C18 H26 N4 O8 |
| Title of publication | Crystal structure of the 1:2 co-crystal between N,N′-bis(4-pyridylmethyl)oxalamide and acetic acid as a dihydrate, C14H14N4O2⋅2 C2H4O2⋅2 H2O |
| Authors of publication | Tan, Sang Loon; Tiekink, Edward R.T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 1109 - 1111 |
| a | 4.7975 ± 0.0002 Å |
| b | 9.8725 ± 0.0003 Å |
| c | 11.0244 ± 0.0003 Å |
| α | 85.312 ± 0.003° |
| β | 79.872 ± 0.003° |
| γ | 87.6 ± 0.003° |
| Cell volume | 512.09 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.039 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278731 (current) | 2022-10-24 | cif/ Adding structures of 8105951 via cif-deposit CGI script. |
8105951.cif |
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Users of the data should acknowledge the original authors of the
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