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Information card for entry 7212787
Preview
| Coordinates | 7212787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H32 I N2 O0.5 |
|---|---|
| Calculated formula | C19 H32 I N2 O0.5 |
| SMILES | O.[I-].n1(c[n+](c2ccccc12)CCCCCC)CCCCCC |
| Title of publication | N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs |
| Authors of publication | Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 12 |
| Pages of publication | 4347 |
| a | 9.288 ± 0.007 Å |
| b | 13.7946 ± 0.0013 Å |
| c | 18.739 ± 0.003 Å |
| α | 69.402 ± 0.014° |
| β | 76.16 ± 0.03° |
| γ | 86.15 ± 0.03° |
| Cell volume | 2181.8 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1363 |
| Weighted residual factors for all reflections included in the refinement | 0.1457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180458 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27. |
7212787.cif |
| 125085 | 2014-10-08 | cif/7 Fixing Z values and formulae for several entries |
7212787.cif |
| 93278 | 2014-01-12 | cif/ Adding structures of 7212785, 7212786, 7212787 via cif-deposit CGI script. |
7212787.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.