Information card for entry 2007093

Structure parameters

• Chemical name: μ, μ'-Pyrazine-bis(N-salicylidene-R,S-alaninato-copper(II)) tetrahydrate
• Formula: C24 H30 Cu2 N4 O10
• Calculated formula: C24 H30 Cu2 N4 O10
• SMILES: c12C=[N]3[C@H](C)C(=O)O[Cu]43([n]3cc[n](cc3)[Cu]356[O](c7ccccc7C=[N]5[C@H](C(=O)O3)C)[Cu]35[N](=Cc7c([O]65)cccc7)[C@@H](C(=O)O3)C)[O](c1cccc2)[Cu]12([O]4c3ccccc3C=[N]1[C@H](C(=O)O2)C)[n]1ccncc1.O.O.O.O.O.O.O.O
• Title of publication: Polymeric μ,μ'-Pyrazine-<i>N</i>,<i>N</i>'-bis(<i>N</i>-salicylidene-<i>R</i>,<i>S</i>-alaninato)copper(II) Tetrahydrate
• Authors of publication: Warda, Salam A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 302 - 304
• a: 7.775 ± 0.0005 Å
• b: 8.1044 ± 0.0007 Å
• c: 11.624 ± 0.0009 Å
• α: 70.474 ± 0.008°
• β: 81 ± 0.008°
• γ: 89.478 ± 0.008°
• Cell volume: 681.09 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No