Information card for entry 7045597

Structure parameters

• Formula: C50 H35 Ag2 F6 N7 O9 S2
• Calculated formula: C50 H35 Ag2 F6 N7 O9 S2
• SMILES: [Ag]12([n]3c(c4ccc5c(cccc5)[n]4[Ag]4[OH2])cc(cc3c5ccc6ccccc6[n]15)O)[n]1c(c3ccc5c(cccc5)[n]43)cc(cc1c1ccc3ccccc3[n]21)O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].CC#N
• Title of publication: Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone.
• Authors of publication: Farrow, Charlotte M. A.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Platts, James A.; Coogan, M. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3906 - 3912
• a: 12.72079 ± 0.00013 Å
• b: 30.3305 ± 0.0003 Å
• c: 13.47657 ± 0.00015 Å
• α: 90°
• β: 112.923 ± 0.0013°
• γ: 90°
• Cell volume: 4789.01 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No