Information card for entry 1546807

Structure parameters

• Chemical name: Complex of AgOTf with tris(2-pyridyl)phosphine
• Formula: C83 H83 Ag5 F15 N12 O21 P4 S5
• Calculated formula: C83 H83 Ag5 F15 N12 O21 P4 S5
• SMILES: [Ag]12[n]3c([P]45[Ag]67[P]8(c9[n]([Ag]%10[n]%11ccccc%11[P]6(c6[n]([Ag]([n]%11c([P]7(c7[n]([Ag]([n]%12c5cccc%12)[n]5ccccc85)cccc7)c5[n]%10cccc5)cccc%11)[n]5ccccc45)cccc6)c4[n]1cccc4)cccc9)c1[n]2cccc1)cccc3.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C
• 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: 16.4246 ± 0.0007 Å
• b: 22.9762 ± 0.0011 Å
• c: 28.4848 ± 0.0011 Å
• α: 90°
• β: 105.155 ± 0.002°
• γ: 90°
• Cell volume: 10375.6 ± 0.8 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: 0.0954
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No