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Information card for entry 1556988
Preview
| Coordinates | 1556988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H9 N2 O8 P2 S |
|---|---|
| Calculated formula | C3 H9 N2 O8 P2 S |
| Title of publication | Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals |
| Authors of publication | Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2020 |
| a | 5.26221 ± 0.00011 Å |
| b | 8.96277 ± 0.00016 Å |
| c | 10.8217 ± 0.0002 Å |
| α | 97.609 ± 0.0013° |
| β | 95.9417 ± 0.0015° |
| γ | 98.5964 ± 0.0012° |
| Cell volume | 496.242 ± 0.017 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1365 |
| Weighted residual factors for all reflections included in the refinement | 0.1384 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246715 (current) | 2020-01-11 | cif/ Adding structures of 1556988 via cif-deposit CGI script. |
1556988.cif |
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Users of the data should acknowledge the original authors of the
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