Information card for entry 1546805

Structure parameters

• Chemical name: Complex of AgPF6 with tris(2-pyridyl)phosphine
• Formula: C62 H51 Ag5 F30 N13 P9
• Calculated formula: C62 H51 Ag5 F30 N13 P9
• SMILES: [Ag]12[n]3c([P]45[Ag]67[P]89c%10[n]([Ag]([n]%11ccccc%11[P]6(c6[n]1cccc6)c1[n]([Ag]([n]6c4cccc6)([n]4c8cccc4)[N]#CC)cccc1)[n]1ccccc1[P]7(c1[n]2cccc1)c1[n]([Ag]([n]2ccccc52)[n]2c9cccc2)cccc1)cccc%10)cccc3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A new family of clusters containing a silver-centered tetracapped [Ag@Ag ₄ (μ ₃ -P) ₄ ] tetrahedron, inscribed within a N ₁₂ icosahedron
• Authors of publication: Artem'ev, Alexander V.; Bagryanskaya, Irina Yu.; Doronina, Evgeniya P.; Tolstoy, Peter M.; Gushchin, Artem L.; Rakhmanova, Mariana I.; Ivanov, Alexander Yu.; Suturina, Anastasiya O.
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 12425 - 12429
• a: 18.482 ± 0.002 Å
• b: 22.8 ± 0.003 Å
• c: 24.67 ± 0.004 Å
• α: 90°
• β: 96.39 ± 0.006°
• γ: 90°
• Cell volume: 10331 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.177
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1962
• Weighted residual factors for all reflections included in the refinement: 0.2689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No