Information card for entry 7245596

Structure parameters

• Formula: C14 H16 F6 I N4 O2 P
• Calculated formula: C14 H16 F6 I N4 O2 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: 8.1008 ± 0.0004 Å
• b: 10.1196 ± 0.0007 Å
• c: 12.4667 ± 0.0006 Å
• α: 98.71 ± 0.005°
• β: 92.055 ± 0.004°
• γ: 105.936 ± 0.005°
• Cell volume: 968.14 ± 0.1 ų
• Cell temperature: 200.01 ± 0.1 K
• Ambient diffraction temperature: 200.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No