Information card for entry 7052676

Structure parameters

• Formula: C20 H20 Cu N2 O2
• Calculated formula: C20 H20 Cu N2 O2
• SMILES: [Cu]12(Oc3ccccc3C=[N]1CC=C)Oc1ccccc1C=[N]2CC=C
• Title of publication: Plasma deposited metal Schiff-base compounds as antimicrobials
• Authors of publication: Poulter, Neil; Donaldson, Matthew; Mulley, Geraldine; Duque, Luis; Waterfield, Nicholas; Shard, Alex G.; Spencer, Steve; Jenkins, A. Tobias A.; Johnson, Andrew L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 1477
• a: 10.713 ± 0.0002 Å
• b: 7.356 ± 0.0001 Å
• c: 22.324 ± 0.0004 Å
• α: 90°
• β: 102.898 ± 0.001°
• γ: 90°
• Cell volume: 1714.85 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No