Information card for entry 1519375

Structure parameters

• Chemical name: [bis(pyridine)silver]hexafluorophosphate
• Formula: C12 H14 Ag Cl2 F6 N2 P
• Calculated formula: C12 H14 Ag Cl2 F6 N2 P
• SMILES: [Ag]([n]1ccccc1)[n]1ccccc1.ClCCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Counterion influence on the N‒I‒N halogen bond
• Authors of publication: Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 3746
• a: 9.968 ± 0.002 Å
• b: 10.512 ± 0.002 Å
• c: 10.679 ± 0.002 Å
• α: 111.37 ± 0.03°
• β: 116.82 ± 0.03°
• γ: 97.43 ± 0.03°
• Cell volume: 869.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0818
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No