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Information card for entry 7715784
Preview
| Coordinates | 7715784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H12 Cl N O7 |
|---|---|
| Calculated formula | C4 H11.9997 Cl N O7 |
| Title of publication | Plastic Phase Transitions in Tris(hydroxymethyl)aminomethane Perchlorate |
| Authors of publication | Zhou, Feng; Weng, Yan-Ran; Shi, Yu; Yu, Yun-Hui; lu, dan; yu, yong; she, jiazi; Ai, Yong |
| Journal of publication | Dalton Transactions |
| Year of publication | 2024 |
| a | 8.0483 ± 0.0002 Å |
| b | 8.0483 ± 0.0002 Å |
| c | 23.8037 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1335.31 ± 0.05 Å3 |
| Cell temperature | 299.98 ± 0.1 K |
| Ambient diffraction temperature | 299.98 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1439 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291278 (current) | 2024-04-19 | cif/ Adding structures of 7715784 via cif-deposit CGI script. |
7715784.cif |
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Users of the data should acknowledge the original authors of the
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