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Information card for entry 8106725
Preview
| Coordinates | 8106725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21.5 H64 N19 O10.5 |
|---|---|
| Calculated formula | C21.5 H64 N19 O10.5 |
| Title of publication | Crystal structure of dodecaguanidinium bis(tetrapropylammonium) heptacarbonate, C43H128N38O21 |
| Authors of publication | Zhu, Xin; Liu, Xianghua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 931 - 933 |
| a | 19.556 ± 0.004 Å |
| b | 20.105 ± 0.004 Å |
| c | 20.573 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8089 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1397 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.1028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280826 (current) | 2023-02-08 | cif/ Adding structures of 8106725 via cif-deposit CGI script. |
8106725.cif |
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Users of the data should acknowledge the original authors of the
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