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Information card for entry 7209977
Preview
Coordinates | 7209977.cif |
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Original paper (by DOI) | HTML |
Formula | C3 H3 I3 N2 |
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Calculated formula | C3 H3 I3 N2 |
SMILES | c1[nH]c(I)c(I)[nH+]1.[I-] |
Title of publication | Synthesis, crystal structure and phase transitions of a series of imidazolium iodides |
Authors of publication | Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 28 |
Pages of publication | 5633 |
a | 7.2366 ± 0.0003 Å |
b | 8.4314 ± 0.0003 Å |
c | 7.2292 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 441.09 ± 0.03 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 59 |
Hermann-Mauguin space group symbol | P m m n :2 |
Hall space group symbol | -P 2ab 2a |
Residual factor for all reflections | 0.0276 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.0492 |
Weighted residual factors for all reflections included in the refinement | 0.0514 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180430 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/99. |
7209977.cif |
86889 | 2013-07-12 | cif/ Adding structures of 7209977, 7209978, 7209979, 7209980, 7209981 via cif-deposit CGI script. |
7209977.cif |
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Users of the data should acknowledge the original authors of the
structural data.