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Information card for entry 8106723
Preview
| Coordinates | 8106723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H17 Cl2 N2 Na O9 |
|---|---|
| Calculated formula | C7 H17 Cl2 N2 Na O9 |
| Title of publication | Crystal structure of 1-methyl-1,4-diazabicyclo[2.2.2]octan-1-ium poly[aqua-bis(μ2-perchlorato-κ3 O,O′:O′′)sodium], C7H17Cl2N2NaO9 |
| Authors of publication | Liu, Mei-Ying |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 927 - 928 |
| a | 13.907 ± 0.003 Å |
| b | 10.927 ± 0.002 Å |
| c | 19.194 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2916.8 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280824 (current) | 2023-02-08 | cif/ Adding structures of 8106723 via cif-deposit CGI script. |
8106723.cif |
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