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Information card for entry 7043855
Preview
| Coordinates | 7043855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H27 Cd5 N36 |
|---|---|
| Calculated formula | C18 H27 Cd5 N36 |
| Title of publication | In situ synthesized 3D metal-organic frameworks (MOFs) constructed from transition metal cations and tetrazole derivatives : a family of insensitive energetic materials |
| Authors of publication | Xu, Yuangang; Liu, wei; li, dongxue; Chen, Houhe; Lu, Ming |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 13.149 ± 0.002 Å |
| b | 13.149 ± 0.002 Å |
| c | 13.596 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2035.8 ± 0.6 Å3 |
| Cell temperature | 205 K |
| Ambient diffraction temperature | 205 K |
| Number of distinct elements | 4 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.0768 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1915 |
| Weighted residual factors for all reflections included in the refinement | 0.2023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199421 (current) | 2017-08-01 | cif/ Adding structures of 7043853, 7043854, 7043855, 7043856 via cif-deposit CGI script. |
7043855.cif |
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Users of the data should acknowledge the original authors of the
structural data.