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Information card for entry 7207507
Preview
| Coordinates | 7207507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | N,N',N''-tris(3-methylpentyl)triazatriangulenium tetrafluoroborate |
|---|---|
| Formula | C37 H48 B F4 N3 |
| Calculated formula | C37 H48 B F3.99 N3 |
| Title of publication | Large area, soft crystalline thin films of N,N′,N′′-trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice |
| Authors of publication | Sørensen, Thomas Just; Hildebrandt, Christoffer B.; Elm, Jonas; Andreasen, Jens W.; Madsen, Anders Ø.; Westerlund, Fredrik; Laursen, Bo W. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 11 |
| Pages of publication | 4797 |
| a | 12.57 ± 0.001 Å |
| b | 12.57 ± 0.001 Å |
| c | 35.496 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4857.1 ± 0.6 Å3 |
| Cell temperature | 122.4 ± 0.5 K |
| Ambient diffraction temperature | 122.4 ± 0.5 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.125 |
| Residual factor for significantly intense reflections | 0.1003 |
| Weighted residual factors for significantly intense reflections | 0.3425 |
| Weighted residual factors for all reflections included in the refinement | 0.3734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.563 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180406 (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 7/20/75. |
7207507.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207507.cif |
| 37713 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7207507 via cif-deposit CGI script. |
7207507.cif |
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Users of the data should acknowledge the original authors of the
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