Information card for entry 2018579

Structure parameters

• Chemical name: poly[μ~2~-aqua-diaqua(2,2'-bipyridyl)(μ~5~- 2-sulfonatobutanedioato)copper(II)sodium(I)]
• Formula: C28 H34 Cu2 N4 Na2 O20 S2
• Calculated formula: C28 H34 Cu2 N4 Na2 O20 S2
• SMILES: [Na+].[Na+].[Cu]12([OH2])([n]3c(c4[n]1cccc4)cccc3)OC(=O)[C@H](S(=O)(=O)[O-])CC(=O)O[Cu]1([OH2])([n]3c(c4[n]1cccc4)cccc3)OC(=O)[C@@H](S(=O)(=O)[O-])CC(=O)O2.O.O.O.O
• Title of publication: A one-dimensional heterometallic coordination polymer with a three-dimensional supramolecular framework: poly[μ~2~-aqua-diaqua(2,2'-bipyridyl)(μ~5~-2-sulfonatobutanedioato)copper(II)sodium(I)]
• Authors of publication: Fu, Jiang-Hong; Wang, Yu-Ling; Chen, Ying; Hu, Chang-Hui; Tang, Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m209 - m212
• a: 7.156 ± 0.0005 Å
• b: 9.8692 ± 0.0006 Å
• c: 12.9585 ± 0.0008 Å
• α: 95.853 ± 0.001°
• β: 90.544 ± 0.001°
• γ: 95.643 ± 0.001°
• Cell volume: 905.82 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes