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Information card for entry 8104929
Preview
| Coordinates | 8104929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H24 Ba N12 O15 |
|---|---|
| Calculated formula | C14 H24 Ba N12 O15 |
| Title of publication | Crystal structure of catena-poly[triqua-bis(μ 2-4-carboxy-2-(1H-tetrazol-1-yl)-1H-imidazole-5-carboxylato-k3 N,O:O′)barium(II)] tetrahydrate, C14H14BaN12O15 |
| Authors of publication | Xie, Wei; Li, Rui; Wang, Chuan-Qi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 227 - 229 |
| a | 21.787 ± 0.004 Å |
| b | 6.7594 ± 0.0011 Å |
| c | 18.143 ± 0.003 Å |
| α | 90° |
| β | 102.456 ± 0.002° |
| γ | 90° |
| Cell volume | 2609 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0222 |
| Residual factor for significantly intense reflections | 0.0209 |
| Weighted residual factors for significantly intense reflections | 0.0559 |
| Weighted residual factors for all reflections included in the refinement | 0.0567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274083 (current) | 2022-03-29 | cif/ Adding structures of 8104929 via cif-deposit CGI script. |
8104929.cif |
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Users of the data should acknowledge the original authors of the
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