Information card for entry 7111184

Structure parameters

• Formula: C72 H70 Ag6 B5 F21 N12 O11
• Calculated formula: C72 H70 Ag6 B5 F21 N12 O11
• SMILES: [Ag]1[n]2c(C3=C4C5=C6c7[n]([Ag]89[Ag]([n]%10c6cccc%10)[n]6c(C%10=C%11C(=C%12c%13[n]([Ag]%14([Ag]([n]%15c(C(=C45)c4[n]([Ag]([F]8%14)[n]5c%10cccc5)cccc4)cccc%15)[n]4c%12cccc4)[n]4c3cccc4)cccc%13)C%11=C(c3[n]1cccc3)c1[n]9cccc1)cccc6)cccc7)cccc2.[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.O.O.O.O.O.O.O.O.O.O
• Title of publication: Hexa(2-pyridyl)[3]radialene: self-assembly of a hexanuclear silver array
• Authors of publication: Steel, Peter J.; Sumby, Christopher J.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 322
• a: 21.89 ± 0.007 Å
• b: 15.011 ± 0.005 Å
• c: 27.729 ± 0.009 Å
• α: 90°
• β: 112.604 ± 0.004°
• γ: 90°
• Cell volume: 8412 ± 5 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 7
• 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: 0.0885
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No