Information card for entry 7709563

Structure parameters

• Formula: C10 H15 F6 I N5 P
• Calculated formula: C10 H15 F6 I N5 P
• SMILES: [I+]([n]1ccc(N(C)C)cc1)[n]1nn(cc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ligand Exchange Among Iodine(I) Complexes
• Authors of publication: Yu, Shilin; Ward, Jas S.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.796 ± 0.0003 Å
• b: 20.9622 ± 0.0005 Å
• c: 14.3983 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3258.45 ± 0.14 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No