Information card for entry 7014491

Structure parameters

• Formula: C48 H40 Ag2 F6 N6 O6 S2
• Calculated formula: C48 H40 Ag2 F6 N6 O6 S2
• SMILES: c1ccc2[n]1[Ag][n]1ccc(C(=c3ccc[n]3[Ag][n]3ccc(C=2c2ccc[nH]2)cc3)c2ccc[nH]2)cc1.FC(F)(F)S(=O)(=O)[O-].c1ccccc1.c1ccccc1.FC(F)(F)S(=O)(=O)[O-].c1ccccc1
• 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: 9.2123 ± 0.0004 Å
• b: 10.0695 ± 0.0005 Å
• c: 13.2746 ± 0.0006 Å
• α: 102.508 ± 0.003°
• β: 93.81 ± 0.003°
• γ: 97.941 ± 0.003°
• Cell volume: 1184.71 ± 0.1 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: 0.1111
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No