Information card for entry 2016314

Structure parameters

• Chemical name: poly[[decaaqua-bis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H- pyrrol-2-olato-κ^2^N:N')bis(μ~2~-3-cyano-4-dicyanomethylene-3H-pyrrole- 2,5-diolate-κ^2^N:N')dicadmium] 0.5-hydrate]
• Formula: C32 H23 Cd3 N16 O18.5
• Calculated formula: C64 H44 Cd6 N32 O37
• Title of publication: Luminescent properties of three structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1<i>H</i>-pyrrol-2-olate and cadmium
• Authors of publication: Tafeenko, Viktor A.; Panin, Gennady N.; Baranov, Andrey N.; Bardasov, Ivan N.; Aslanov, Leonid A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m541 - m547
• a: 18.3348 ± 0.0012 Å
• b: 19.964 ± 0.0015 Å
• c: 13.5231 ± 0.0011 Å
• α: 90°
• β: 119.77 ± 0.02°
• γ: 90°
• Cell volume: 4296.7 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes