Information card for entry 7031048

Structure parameters

• Formula: C148 H168 Ag4 F24 N16 Sb4
• Calculated formula: C128 H120 Ag4 F24 N16 Sb4
• SMILES: c12c3c4cc(cc5c4c(c3c3c4[n]([Ag]67[n]3[n]2[Ag]2([n]3c1cccc3)[n]1[n]6c3c6c(c1c1[n]([Ag]89[n]%10c(c%11c(c%12c%13[n]([Ag]([n]%10%12)([n]%10[n]9c(c9c(c%10c%10[n]7cccc%10)c7cc(cc%10cc(cc9c7%10)C(C)(C)C)C(C)(C)C)c7[n]2cccc7)[n]2c3cccc2)cccc%13)c2cc(cc3cc(cc%11c23)C(C)(C)C)C(C)(C)C)c2[n]8cccc2)cccc1)c1cc(cc2cc(cc6c12)C(C)(C)C)C(C)(C)C)cccc4)cc(c5)C(C)(C)C)C(C)(C)C.[F-][Sb](F)(F)(F)(F)F.F[Sb](F)(F)(F)(F)[F-].[F-][Sb](F)(F)(F)(F)F.F[Sb](F)(F)(F)(F)[F-]
• Title of publication: Cu(i) and Ag(i) complexes of 7,10-bis-N-heterocycle-diazafluoranthenes: programmed molecular grids?
• Authors of publication: Rahanyan, Nelli; Duttwyler, Simon; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 11027 - 11038
• a: 34.994 ± 0.0006 Å
• b: 17.4149 ± 0.0004 Å
• c: 12.8469 ± 0.0003 Å
• α: 90°
• β: 92.8779 ± 0.0014°
• γ: 90°
• Cell volume: 7819.2 ± 0.3 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No