Information card for entry 7059693

Structure parameters

• Formula: C19 H23 Cu N3 O S
• Calculated formula: C19 H23 Cu N3 O S
• Title of publication: Synthesis of an electrically conductive square planar copper(ii) complex and its utilization in the fabrication of a photosensitive Schottky diode device and DFT study
• Authors of publication: Khan, Samim; Halder, Soumi; Dey, Arka; Dutta, Basudeb; Pratim Ray, Partha; Chattopadhyay, Shouvik
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 11622 - 11630
• a: 14.659 ± 0.004 Å
• b: 7.247 ± 0.002 Å
• c: 18.776 ± 0.006 Å
• α: 90°
• β: 106.108 ± 0.005°
• γ: 90°
• Cell volume: 1916.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No