Information card for entry 1517984

Structure parameters

• 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 ų
• 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