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Information card for entry 1517984
Preview
| Coordinates | 1517984.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H9 B F4 I N O2 |
|---|---|
| Calculated formula | C12 H9 B F4 I N O2 |
| SMILES | [I+](c1ccccc1)c1ccc(N(=O)=O)cc1.[B](F)(F)(F)[F-] |
| Title of publication | Controlled covalent modification of epitaxial single layer graphene on 6H-SiC (0001) with aryliodonium salts using electrochemical methods. |
| Authors of publication | Stevenson, K. J.; Veneman, P. A.; Gearba, R. I.; Mueller, K. M.; Holliday, B. J.; Ohta, T.; Chan, C. K. |
| Journal of publication | Faraday discussions |
| Year of publication | 2014 |
| Journal volume | 172 |
| Pages of publication | 273 - 291 |
| a | 16.725 ± 0.008 Å |
| b | 10.562 ± 0.005 Å |
| c | 16.707 ± 0.008 Å |
| α | 90° |
| β | 111.932 ± 0.008° |
| γ | 90° |
| Cell volume | 2738 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0365 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.249 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517984.cif |
| 288505 | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
1517984.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517984.cif |
| 128402 | 2014-12-06 | cif/ Updating files of 1517984 Original log message: Adding full bibliography for 1517984.cif. |
1517984.cif |
| 125263 | 2014-10-11 | cif/ Adding structures of 1517984 via cif-deposit CGI script. |
1517984.cif |
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Users of the data should acknowledge the original authors of the
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