Information card for entry 7250331

Structure parameters

• Formula: C14 H15 F6 I N5 O2 P
• Calculated formula: C14 H15 F6 I N5 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: 9.6283 ± 0.0003 Å
• b: 10.63453 ± 0.00018 Å
• c: 11.1454 ± 0.0002 Å
• α: 70.4689 ± 0.0018°
• β: 67.86 ± 0.002°
• γ: 80.4421 ± 0.0018°
• Cell volume: 995.19 ± 0.04 ų
• Cell temperature: 119.6 ± 0.6 K
• Ambient diffraction temperature: 119.6 ± 0.6 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: 0.0198
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No