Information card for entry 7126747

Structure parameters

• Formula: C16 H24 Ag Cl2 F6 N4 P
• Calculated formula: C16 H24 Ag Cl2 F6 N4 P
• SMILES: [Ag]([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1.ClCCCl.[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: 7.7214 ± 0.0006 Å
• b: 10.584 ± 0.0008 Å
• c: 14.3078 ± 0.0015 Å
• α: 109.04 ± 0.008°
• β: 90.185 ± 0.007°
• γ: 90.561 ± 0.007°
• Cell volume: 1105.23 ± 0.17 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 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: 0.0879
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No