Information card for entry 1563880

Structure parameters

• Formula: C12 H14 N2 O S2
• Calculated formula: C12 H14 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: 5.3817 ± 0.0003 Å
• b: 8.4286 ± 0.0004 Å
• c: 15.1859 ± 0.0007 Å
• α: 88.2 ± 0.003°
• β: 83.616 ± 0.002°
• γ: 78.528 ± 0.003°
• Cell volume: 670.86 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No