Information card for entry 2007018

Structure parameters

• Chemical name: Polymeric Pyrazine-Bis[N-salicylideneglycinato-copper(II)]-1,4-dioxane
• Formula: C26 H26 Cu2 N4 O8
• Calculated formula: C26 H26 Cu2 N4 O8
• SMILES: [Cu]12(Oc3ccccc3C=[N]2CC(=O)O1)([O]1CC[O](CC1)[Cu]12([N](=Cc3c(O2)cccc3)CC(=O)O1)[n]1ccncc1)[n]1cc[n](cc1)[Cu]12([N](=Cc3c(O2)cccc3)CC(=O)O1)[O]1CC[O](CC1)[Cu]12Oc3ccccc3C=[N]1CC(=O)O2
• Title of publication: <i>catena</i>-Poly[[(<i>N</i>-salicylideneglycinato-<i>N</i>,<i>O</i>,<i>O</i>')copper(II)-μ-pyrazine-<i>N</i>:<i>N</i>'-(<i>N</i>-salicylideneglycinato-<i>N</i>,<i>O</i>,<i>O</i>')copper(II)]-μ-1,4-dioxane-<i>O</i>:<i>O</i>']
• Authors of publication: Warda, Salam A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 189 - 191
• a: 8.5214 ± 0.0007 Å
• b: 15.3737 ± 0.0018 Å
• c: 9.9845 ± 0.0005 Å
• α: 90°
• β: 100.905 ± 0.005°
• γ: 90°
• Cell volume: 1284.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No