Information card for entry 4087683

Structure parameters

• Formula: C44 H28 Ag4 F20
• Calculated formula: C44 H28 Ag4 F20
• SMILES: [c]12(c(c(c(c(c1F)F)F)F)F)[Ag]13[c]4(c(c(F)c(c(c4F)F)F)F)[Ag]43[c]3(c(c(c(c(c3F)F)F)F)F)[Ag]34[Ag]21[c]13c(c(F)c(c(F)c1F)F)F.c1c(c(c(cc1C)C)C)C.c1c(c(c(cc1C)C)C)C
• Title of publication: Pentafluorophenyl Silver: Structure and Bonding of Arene Solvates
• Authors of publication: Ibad, Muhammad Farooq; Schulz, Axel; Villinger, Alexander
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3893
• a: 11.7064 ± 0.0002 Å
• b: 20.1576 ± 0.0004 Å
• c: 9.1518 ± 0.0002 Å
• α: 90°
• β: 90.138 ± 0.001°
• γ: 90°
• Cell volume: 2159.57 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No