Information card for entry 2012233

Structure parameters

• Common name: Copper(II) acetate 4-cyanopyridine adduct
• Chemical name: tetrakis(μ-acetato-O,O')bis(4-cyanopyridine-N)dicopper(II)
• Formula: C20 H20 Cu2 N4 O8
• Calculated formula: C20 H20 Cu2 N4 O8
• SMILES: C1(C)=[O][Cu]234([n]5ccc(cc5)C#N)OC(C)=[O][Cu]4([n]4ccc(cc4)C#N)(O1)([O]=C(C)O3)OC(C)=[O]2
• Title of publication: Tetrakis(μ-acetato-<i>O</i>,<i>O</i>')bis[(4-cyanopyridine-<i>N</i>)copper(II)]
• Authors of publication: Das, Birinchi K.; Barman, Rama K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1025 - 1026
• a: 7.734 ± 0.005 Å
• b: 8.432 ± 0.003 Å
• c: 9.782 ± 0.004 Å
• α: 95.88 ± 0.04°
• β: 112.78 ± 0.04°
• γ: 92.09 ± 0.04°
• Cell volume: 583 ± 0.5 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 all reflections: 0.031
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes