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Information card for entry 2108671
Preview
| Coordinates | 2108671.cif |
|---|---|
| Structure factors | 2108671.hkl |
| Original IUCr paper | HTML |
| Formula | C3 H8 N2 O6 P2 |
|---|---|
| Calculated formula | C3 H8 N2 O6 P2 |
| Title of publication | Crystal structures and phase transitions of imidazolium hypodiphosphates |
| Authors of publication | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| a | 6.962 ± 0.003 Å |
| b | 8.368 ± 0.003 Å |
| c | 14.388 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 838.2 ± 0.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256763 (current) | 2020-09-25 | cif/ hkl/ Adding structures of 2108670, 2108671, 2108672, 2108673 via cif-deposit CGI script. |
2108671.cif 2108671.hkl |
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Users of the data should acknowledge the original authors of the
structural data.