Information card for entry 7207529

Structure parameters

• Chemical name: tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II) half-hydrate
• Formula: C16 H10 Cu N8 O9
• Calculated formula: C16 H10 Cu N8 O9
• 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: 5.4 ± 0.002 Å
• b: 8.849 ± 0.003 Å
• c: 11.531 ± 0.005 Å
• α: 88.24 ± 0.02°
• β: 77.28 ± 0.02°
• γ: 82.33 ± 0.03°
• Cell volume: 532.7 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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 all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No