Information card for entry 7245594

Structure parameters

• Formula: C11 H16 F6 I N2 O P
• Calculated formula: C11 H16 F6 I N2 O P
• Title of publication: The Solid-state Hierarchy and Iodination Potential of [bis(3-acetaminopyridine)iodine(I)]PF6
• Authors of publication: Ward, Jas S.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.4701 ± 0.0001 Å
• b: 14.7904 ± 0.0001 Å
• c: 10.5256 ± 0.0001 Å
• α: 90°
• β: 100.659 ± 0.001°
• γ: 90°
• Cell volume: 1601.84 ± 0.02 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No