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Information card for entry 7245782
Preview
| Coordinates | 7245782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Al H30 N15 O15 |
|---|---|
| Calculated formula | Al H30 N15 O15 |
| SMILES | [Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.[n-]1nnnn1.O.O.O.[n-]1nnnn1.O.O.O.O.[n-]1nnnn1.O |
| Title of publication | Synthesis and characterization of cyclo-pentazolate salts of iron(iii) and aluminum(iii) |
| Authors of publication | Chen, Lei; Yang, Chen; Hu, Haoran; Shi, Lei; Zhang, Chong; Sun, Chengguo; Gao, Chao; Du, Yang; Hu, Bingcheng |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 16.7321 ± 0.0008 Å |
| b | 14.5671 ± 0.0006 Å |
| c | 20.0005 ± 0.0007 Å |
| α | 90° |
| β | 92.771 ± 0.002° |
| γ | 90° |
| Cell volume | 4869.2 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0904 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.1611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279164 (current) | 2022-11-10 | cif/ Adding structures of 7245781, 7245782 via cif-deposit CGI script. |
7245782.cif |
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Users of the data should acknowledge the original authors of the
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