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Information card for entry 7209980
Preview
Coordinates | 7209980.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H10 I4 N4 |
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Calculated formula | C6 H10 I4 N4 |
SMILES | c1[nH]cc[nH+]1.c1[nH]cc[nH+]1.[I-].I[I-]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 | 13.9633 ± 0.0016 Å |
b | 15.6595 ± 0.001 Å |
c | 14.9399 ± 0.0013 Å |
α | 90° |
β | 116.778 ± 0.007° |
γ | 90° |
Cell volume | 2916.4 ± 0.5 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1224 |
Weighted residual factors for all reflections included in the refinement | 0.1289 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.201 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
212110 (current) | 2018-11-22 | cif/7 Fixing some Z values and formulae |
7209980.cif |
180430 | 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. |
7209980.cif |
86889 | 2013-07-12 | cif/ Adding structures of 7209977, 7209978, 7209979, 7209980, 7209981 via cif-deposit CGI script. |
7209980.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.