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Information card for entry 2312077
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| Coordinates | 2312077.cif |
|---|---|
| Structure factors | 2312077.hkl |
| Original IUCr paper | HTML |
| Common name | 1,2-Ethanediammonium bis(nitrosocarbamoylcyanomethanide) |
|---|---|
| Chemical name | Ethane-1,2-bis(aminium) bis(nitrosocarbamoylcyanomethanide) |
| Formula | C8 H14 N8 O4 |
| Calculated formula | C8 H14 N8 O4 |
| Title of publication | Gradual evolution of hydrogen-bonding patterns with the carbamoylcyanonitrosomethanide anion in a series of aliphatic diammonium salts. |
| Authors of publication | Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 5 |
| Pages of publication | 177 - 185 |
| a | 7.1203 ± 0.0008 Å |
| b | 7.2221 ± 0.001 Å |
| c | 7.3808 ± 0.0009 Å |
| α | 96.813 ± 0.008° |
| β | 106.031 ± 0.007° |
| γ | 114.329 ± 0.008° |
| Cell volume | 320.47 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.1362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284367 (current) | 2023-06-06 | cif/ Updating files of 2312077, 2312078, 2312079, 2312080 Original log message: Adding full bibliography for 2312077--2312080.cif. |
2312077.cif 2312077.hkl |
| 282448 | 2023-04-06 | cif/ hkl/ Adding structures of 2312077, 2312078, 2312079, 2312080 via cif-deposit CGI script. |
2312077.cif 2312077.hkl |
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Users of the data should acknowledge the original authors of the
structural data.