Information card for entry 2005492

Structure parameters

• Chemical name: catena-poly[-μ-aqua-bis(trifluoromethanesulphonatosilver-μ- (1,4-dicyanobenzene-N:N'))]
• Formula: C18 H10 Ag2 F6 N4 O7 S2
• Calculated formula: C18 H10 Ag2 F6 N4 O7 S2
• SMILES: [Ag]1(OS(=O)(=[O]2)C(F)(F)F)([OH2][Ag]2(OS(=[O]1)(=O)C(F)(F)F)[N]#Cc1ccc(cc1)C#[N][Ag]12(OS(=O)(=[O]3)C(F)(F)F)[N]#Cc4ccc(cc4)C#N)[N]#Cc4ccc(cc4)C#[N][Ag]3(OS(=O)(=[O]1)C(F)(F)F)([OH2]2)[N]#Cc1ccc(cc1)C#N
• Title of publication: Silver(I) Complexes of 1,4-Dicyanobenzene
• Authors of publication: Venkataraman, D.; Gardner, G. B.; Covey, A. C.; Lee, S.; Moore, J. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2416 - 2419
• a: 13.032 ± 0.004 Å
• b: 11.948 ± 0.004 Å
• c: 16.295 ± 0.005 Å
• α: 90°
• β: 103.83 ± 0.02°
• γ: 90°
• Cell volume: 2463.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No