Information card for entry 1546804

Structure parameters

• Chemical name: Complex of silver(I) tetrafluoroborate and hexafluorophosphate witn tris(2-pyridyl)phosphine
• Formula: C72 H66 Ag5 B4 F22 N18 P5
• Calculated formula: C72 H66 Ag5 B4 F22 N18 P5
• SMILES: [Ag]1([n]2c3cccc2)([N]#CC)[n]2c(cccc2)[P]2(c4[n]([Ag]5[n]6c(cccc6)[P]36[Ag]237)cccc4)c2[n](cccc2)[Ag]2[n]4c(cccc4)[P]7(c4[n]1cccc4)c1[n](cccc1)[Ag]([n]1c6cccc1)([N]#CC)[n]1c(cccc1)[P]3(c1[n]5cccc1)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC.N#CC.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: 14.3371 ± 0.0006 Å
• b: 14.4204 ± 0.0005 Å
• c: 22.4241 ± 0.0009 Å
• α: 84.045 ± 0.001°
• β: 87.761 ± 0.001°
• γ: 69.157 ± 0.001°
• Cell volume: 4309.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0593
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No