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Information card for entry 7245000
Preview
| Coordinates | 7245000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 Cu N4 O12 |
|---|---|
| Calculated formula | C17 H16 Cu N4 O12 |
| Title of publication | Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative |
| Authors of publication | Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 21 |
| Pages of publication | 3953 - 3961 |
| a | 8.0763 ± 0.0004 Å |
| b | 13.5075 ± 0.0007 Å |
| c | 14.4614 ± 0.0007 Å |
| α | 102.125 ± 0.002° |
| β | 98.222 ± 0.002° |
| γ | 105.058 ± 0.002° |
| Cell volume | 1456.47 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.1024 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.1826 |
| Weighted residual factors for all reflections included in the refinement | 0.1936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275692 (current) | 2022-05-31 | cif/ Adding structures of 7244998, 7244999, 7245000, 7245001 via cif-deposit CGI script. |
7245000.cif |
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Users of the data should acknowledge the original authors of the
structural data.