Information card for entry 7126744

Structure parameters

• Formula: C12 H15 Ag F6 N3 P
• Calculated formula: C12 H15 Ag F6 N3 P
• SMILES: [Ag]([n]1ccccc1)[n]1ccc(N(C)C)cc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Asymmetric [N-I-N]⁺ halonium complexes.
• Authors of publication: Ward, Jas S.; Fiorini, Giorgia; Frontera, Antonio; Rissanen, Kari
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 60
• Pages of publication: 8428 - 8431
• a: 7.8394 ± 0.0005 Å
• b: 14.2529 ± 0.0008 Å
• c: 14.6397 ± 0.0008 Å
• α: 90°
• β: 100.629 ± 0.003°
• γ: 90°
• Cell volume: 1607.69 ± 0.16 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No