Information card for entry 8102736

Structure parameters

• Chemical name: Ammonium triiodide N-formyl-formamide adduct
• Formula: C2 H7 I3 N2 O2
• Calculated formula: C2 H7 I3 N2 O2
• SMILES: I[I-]I.O=CNC=O.[NH4+]
• Title of publication: Crystal structure of ammonium triiodide — N-formylformamide (1:1), NH4I3 · C2H3NO2
• Authors of publication: Hanne Nuss; Caterina Eberl; Martin Jansen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 417
• a: 9.729 ± 0.0006 Å
• b: 9.0538 ± 0.0005 Å
• c: 12.3633 ± 0.0007 Å
• α: 90°
• β: 110.403 ± 0.001°
• γ: 90°
• Cell volume: 1020.69 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No