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Information card for entry 7045183
Preview
| Coordinates | 7045183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H0.75 N5 Na O0.375 |
|---|---|
| Calculated formula | N5 Na O0.375 |
| SMILES | [n-]1nnnn1.O.[Na+] |
| Title of publication | Self-assembled energetic 3D metal-organic framework [Na<sub>8</sub>(N<sub>5</sub>)<sub>8</sub>(H<sub>2</sub>O)<sub>3</sub>]<sub>n</sub> based on cyclo-N<sub>5</sub><sup/>. |
| Authors of publication | Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Mei, Xuefeng; Lu, Ming |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 5 |
| Pages of publication | 1398 - 1401 |
| a | 18.238 ± 0.01 Å |
| b | 18.238 ± 0.01 Å |
| c | 18.238 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6066 ± 6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 223 |
| Hermann-Mauguin space group symbol | P m -3 n |
| Hall space group symbol | -P 4n 2 3 |
| Residual factor for all reflections | 0.0784 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1803 |
| Weighted residual factors for all reflections included in the refinement | 0.2027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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