Information card for entry 7250334

Structure parameters

• Formula: C12.65 H14.6 F6 I N4 O2.65 P
• Calculated formula: C12.65 H14.6 F6 I N4 O2.65 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: 7.1197 ± 0.0004 Å
• b: 10.6071 ± 0.0005 Å
• c: 14.9177 ± 0.0008 Å
• α: 101.982 ± 0.004°
• β: 103.673 ± 0.005°
• γ: 90.888 ± 0.004°
• Cell volume: 1068.33 ± 0.1 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No