Information card for entry 7014494

Structure parameters

• Formula: C42 H30 Ag2 F6 N6 O6 S2
• Calculated formula: C42 H30 Ag2 F6 N6 O6 S2
• SMILES: c1ccc2=C(c3ccc(cc3)c3cc[n]([Ag][n]4cccc4=C(c4ccc[nH]4)c4ccc(cc4)c4cc[n]([Ag][n]12)cc4)cc3)c1ccc[nH]1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Dipyrrin based silver [2 + 2] metallamacrocycles.
• Authors of publication: Pogozhev, Dmitry; Baudron, Stéphane A; Hosseini, Mir Wais
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 437 - 445
• a: 9.8577 ± 0.0004 Å
• b: 11.13 ± 0.0004 Å
• c: 11.5098 ± 0.0005 Å
• α: 118.056 ± 0.001°
• β: 92.695 ± 0.002°
• γ: 107.912 ± 0.001°
• Cell volume: 1032.41 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No