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Information card for entry 1548525
Preview
| Coordinates | 1548525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H12.5 Al3 F N O12.25 P3 |
|---|---|
| Calculated formula | C5 H12 Al3 F N O12.25 P3 |
| Title of publication | Origin of the structure-directing effect resulting in identical topological open-framework materials |
| Authors of publication | Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan |
| Journal of publication | Scientific Reports |
| Year of publication | 2015 |
| Journal volume | 5 |
| Pages of publication | 14940 |
| a | 9.18 ± 0.0008 Å |
| b | 9.1957 ± 0.0008 Å |
| c | 9.3606 ± 0.0008 Å |
| α | 86.532 ± 0.002° |
| β | 78.192 ± 0.002° |
| γ | 87.739 ± 0.002° |
| Cell volume | 771.76 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204444 (current) | 2017-12-21 | cif/ Adding structures of 1548525 via cif-deposit CGI script. |
1548525.cif |
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Users of the data should acknowledge the original authors of the
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