Information card for entry 2007958

Structure parameters

• Chemical name: μ-Pyrazine-N:N'-bis[aqua(N-salicylideneglycinato-O,N,O')copper(II)] dihydrate
• Formula: C22 H26 Cu2 N4 O10
• Calculated formula: C22 H26 Cu2 N4 O10
• SMILES: C1c2c(O[Cu]3([N]=1CC(=O)O3)([n]1cc[n]([Cu]34(Oc5ccccc5C=[N]3CC(=O)O4)[OH2])cc1)[OH2])cccc2.O.O
• Title of publication: μ-Pyrazine-<i>N</i>:<i>N</i>'-bis[aqua(<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)] Dihydrate
• Authors of publication: Warda, Salam A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1756 - 1758
• a: 7.1135 ± 0.0007 Å
• b: 16.1388 ± 0.0016 Å
• c: 10.9876 ± 0.001 Å
• α: 90°
• β: 99.439 ± 0.011°
• γ: 90°
• Cell volume: 1244.3 ± 0.2 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No