Information card for entry 1563878

Structure parameters

• Formula: C12 H12 Cu N2 O S2
• Calculated formula: C12 H12 Cu N2 O S2
• Title of publication: Synthesis, crystal structures and antimicrobial activity of dimeric copper(II) complexes with 2-hydroxyphenyl-ethylidene-dithiocarbazates
• Authors of publication: Lima, Francielle C.; Silva, Thayná S.; Martins, Carlos H.G.; Gatto, Claudia C.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 464 - 472
• a: 26.0315 ± 0.0013 Å
• b: 7.4474 ± 0.0004 Å
• c: 13.5391 ± 0.0006 Å
• α: 90°
• β: 96.051 ± 0.003°
• γ: 90°
• Cell volume: 2610.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No