Information card for entry 7050103

Structure parameters

• Formula: C86 H70 Ag2 B4 F16 Fe N22
• Calculated formula: C86 H70 Ag2 B4 F16 Fe N22
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[Ag]123[n]4ccccc4c4ccn(Cc5ccc(cc5)Cn5ccc6[n]5[Fe]5789[n]%10c6cccc%10c6ccn(Cc%10ccc(Cn%11ccc%12c%13cccc[n]%13[Ag]%13([n]%11%12)[n]%11ccccc%11c%11ccn(Cc%12ccc(Cn%14ccc(c%15cccc([n]5%15)c5ccn(Cc%15ccc(Cn%16ccc(c%17cccc[n]2%17)[n]3%16)cc%15)[n]95)[n]7%14)cc%12)[n]%13%11)cc%10)[n]86)[n]14.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Homo- and heteropolynuclear helicates with a ‘2 + 3 + 2’-dentate compartmental ligand
• Authors of publication: Argent, Stephen P.; Adams, Harry; Harding, Lindsay P.; Riis-Johannessen, T.; Jeffery, John C.; Ward, Michael D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 904
• a: 30.6701 ± 0.0018 Å
• b: 13.781 ± 0.0008 Å
• c: 21.3348 ± 0.0013 Å
• α: 90°
• β: 97.511 ± 0.002°
• γ: 90°
• Cell volume: 8940.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No