Information card for entry 7250332

Structure parameters

• Formula: C12 H12 F6 I N4 O2 P
• Calculated formula: C12 H12 F6 I N4 O2 P
• Title of publication: Hierarchical iodine(i) complexes of nicotinamide
• Authors of publication: Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 3295 - 3301
• a: 13.7177 ± 0.0002 Å
• b: 11.8709 ± 0.0002 Å
• c: 10.3823 ± 0.0002 Å
• α: 90°
• β: 92.41 ± 0.002°
• γ: 90°
• Cell volume: 1689.17 ± 0.05 ų
• Cell temperature: 120.02 ± 0.1 K
• Ambient diffraction temperature: 120.02 ± 0.1 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: 0.0174
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No