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Information card for entry 7707927
Preview
| Coordinates | 7707927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H24 Ba2 N18 O15 |
|---|---|
| Calculated formula | C12 H24 Ba2 N18 O15 |
| Title of publication | Ba-MOFs with tetrazole-based acetic acids: unusual configuration, novel topology and high proton conductivity. |
| Authors of publication | Yang, Jie; Zhang, Shunlin; Feng, Zhe; Cao, Ying; Zhu, Dun-Ru |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 34 |
| Pages of publication | 11975 - 11985 |
| a | 8.8208 ± 0.0018 Å |
| b | 13.413 ± 0.003 Å |
| c | 14.323 ± 0.003 Å |
| α | 78.52 ± 0.03° |
| β | 78.89 ± 0.03° |
| γ | 87.03 ± 0.03° |
| Cell volume | 1629.4 ± 0.6 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268808 (current) | 2021-09-06 | cif/ Updating files of 7707926, 7707927, 7707928 Original log message: Adding full bibliography for 7707926--7707928.cif. |
7707927.cif |
| 267799 | 2021-07-29 | cif/ Adding structures of 7707926, 7707927, 7707928 via cif-deposit CGI script. |
7707927.cif |
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Users of the data should acknowledge the original authors of the
structural data.