Information card for entry 7014495

Structure parameters

• Formula: C40 H30 Ag2 F12 N6 P2
• Calculated formula: C40 H30 Ag2 F12 N6 P2
• SMILES: c1ccc2=C(c3ccc[nH]3)c3ccc(cc3)c3cc[n]([Ag][n]4cccc4=C(c4ccc[nH]4)c4ccc(cc4)c4cc[n]([Ag][n]12)cc4)cc3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 10.3668 ± 0.0003 Å
• b: 13.6996 ± 0.0004 Å
• c: 13.8058 ± 0.0004 Å
• α: 90°
• β: 95.626 ± 0.001°
• γ: 90°
• Cell volume: 1951.27 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No