Information card for entry 7250330

Structure parameters

• Formula: C36 H36 F6 I N12 O6 P
• Calculated formula: C36 H36 F6 I N12 O6 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: 7.8185 ± 0.0001 Å
• b: 8.9131 ± 0.0001 Å
• c: 14.4394 ± 0.0003 Å
• α: 91.167 ± 0.001°
• β: 96.566 ± 0.001°
• γ: 99.162 ± 0.001°
• Cell volume: 986.12 ± 0.03 ų
• Cell temperature: 119.81 ± 0.1 K
• Ambient diffraction temperature: 119.81 ± 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: 0.0181
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No