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Information card for entry 7240654
Preview
| Coordinates | 7240654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H20 N14 Na2 O8 |
|---|---|
| Calculated formula | C6 H20 N14 Na2 O8 |
| Title of publication | New nitrogen-rich heterocycle compound to build 3D energetic metal complexes |
| Authors of publication | Yang, Xiaoming; Wang, Yanna; Zhang, Weijing; Yin, Yanli; Li, Zhimin; Zhang, Tonglai |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 7.2002 ± 0.0014 Å |
| b | 17.795 ± 0.004 Å |
| c | 8.1862 ± 0.0016 Å |
| α | 90° |
| β | 109.91 ± 0.03° |
| γ | 90° |
| Cell volume | 986.2 ± 0.4 Å3 |
| Cell temperature | 153.15 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.147 |
| Weighted residual factors for all reflections included in the refinement | 0.1764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252964 (current) | 2020-06-06 | cif/ Adding structures of 7240654, 7240655, 7240656, 7240657, 7240658 via cif-deposit CGI script. |
7240654.cif |
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Users of the data should acknowledge the original authors of the
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