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Information card for entry 7226078
Preview
| Coordinates | 7226078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H11 Li N14 O3 |
|---|---|
| Calculated formula | C3 H11 Li N14 O3 |
| Title of publication | Synthesis, Crystal Structure and Properties of a New 1D Polymeric Nitrogen-Rich Energetic Complex {TAG[Li(BTO)(H2O)]}n based on 1H,1'H-5,5'-bitetrazole-1,1'-diolate (BTO) |
| Authors of publication | Zhang, Zhibin; Xu, Caixia; Yin, Lei; Wang, Zhen; Yin, Xin; Zhang, Jianguo |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 15.656 ± 0.005 Å |
| b | 6.3323 ± 0.0019 Å |
| c | 23.814 ± 0.007 Å |
| α | 90° |
| β | 91.342 ± 0.003° |
| γ | 90° |
| Cell volume | 2360.2 ± 1.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0733 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1524 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184720 (current) | 2016-07-29 | cif/ Adding structures of 7226078 via cif-deposit CGI script. |
7226078.cif |
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