Information card for entry 2242977

Structure parameters

• Common name: Aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2<i>R</i>,3<i>R</i>)-\ tartrato(4-)]dicopper(II) octahydrate
• Chemical name: Aqua-1κ<i>O</i>-bis(4,4'-dimethoxy-2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';2κ^2^<i>N</i>,<i>N</i>'-[μ-(2<i>R</i>,3<i>R</i>)-2,3-dioxidosuccinato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dicopper(II) octahydrate
• Formula: C28 H44 Cu2 N4 O19
• Calculated formula: C28 H44 Cu2 N4 O19
• SMILES: c1cc(cc2c3cc(cc[n]3[Cu]3([n]12)(O[C@H]([C@@H]1C(=O)O[Cu]2([n]4ccc(cc4c4cc(cc[n]24)OC)OC)O1)C(=O)O3)[OH2])OC)OC.O.O.O.O.O.O.O.O
• Title of publication: Synthesis, characterization, and crystal structure of aquabis(4,4'-dimethoxy-2,2'-bipyridine)[μ-(2<i>R</i>,3<i>R</i>)-tartrato(4{-})]dicopper(II) octahydrate
• Authors of publication: Wiedemann, Dennis; Kulko, Roman-David; Grohmann, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• Pages of publication: 972 - 975
• a: 8.5134 ± 0.0004 Å
• b: 23.7812 ± 0.0009 Å
• c: 8.9028 ± 0.0004 Å
• α: 90°
• β: 101.401 ± 0.004°
• γ: 90°
• Cell volume: 1766.88 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes