Information card for entry 7207527

Structure parameters

• Chemical name: Poly[[diaquabis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo- 4,5-dihydro-1H-pyrrol-2-olato-κ^2^N^3^:N^3'^)copper(II)] dihydrate]
• Formula: C16 H10 Cu N8 O8
• Calculated formula: C16 H10 Cu N8 O8
• Title of publication: The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations
• Authors of publication: Gurskiy, Stanislav I.; Tafeenko, Viktor A.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2721
• a: 18.9657 ± 0.0019 Å
• b: 10.8842 ± 0.0011 Å
• c: 11.7477 ± 0.0012 Å
• α: 90°
• β: 125.406 ± 0.012°
• γ: 90°
• Cell volume: 1976.6 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No