Information card for entry 1546806

Structure parameters

• Chemical name: Complex of AgBF4 with tris(2-pyridyl)phosphine
• Formula: C72 H69 Ag5 B5 F20 N15 O2 P4
• Calculated formula: C70.5 H64.5 Ag5 B5 F20 N15 O1.5 P4
• SMILES: [Ag]12[n]3c([P]45[Ag]6789[Ag]%10([n]%11c4cccc%11)([n]4c([P]7(c7[n]1cccc7)c1[n]([Ag]76[n]6c([P]8(c8[n]%10cccc8)c8[n]([Ag]([N]#CC)([n]%10c([P]9(c9[n]2cccc9)c2[n]7cccc2)cccc%10)[n]2c5cccc2)cccc8)cccc6)cccc1)cccc4)[N]#CC)cccc3.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=C(C)C.O=C(C)C.N#CC
• 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: 23.685 ± 0.003 Å
• b: 22.865 ± 0.002 Å
• c: 30.599 ± 0.003 Å
• α: 90°
• β: 90.97 ± 0.004°
• γ: 90°
• Cell volume: 16569 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No