Information card for entry 7055967

Structure parameters

• Formula: C12 H13 N2 Na O6 S
• Calculated formula: C12 H13 N2 Na O6 S
• SMILES: c1(cc(ccc1)/N=N/c1ccc(O)cc1)S(=O)(=O)[O-].[Na+].O.O
• Title of publication: Ag(i) bipyridyl coordination polymers containing functional anions
• Authors of publication: Dodds, Christopher A.; Hobday, Claire L.; Kennedy, Alan R.; McKellar, Scott C.; Smillie, Katy; Walls, Aiden
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1574
• a: 7.1227 ± 0.0003 Å
• b: 11.9399 ± 0.0002 Å
• c: 32.5608 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2769.11 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No