Information card for entry 7062574

Structure parameters

• Formula: C51 H44 Cu N P2 S2
• Calculated formula: C51 H44 Cu N P2 S2
• SMILES: [Cu]1([S]=C(N(c2ccc(cc2)C)c2ccc(cc2)C)S1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Copper diaryl-dithiocarbamate complexes and their application as single source precursors (SSPs) for copper sulfide nanomaterials
• Authors of publication: Sarker, Jagodish C.; Xu, Xiang; Alam, Firoz; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Cockcroft, Jeremy K.; Lewis, David J.; Hogarth, Graeme
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 12718 - 12727
• a: 18.9452 ± 0.0004 Å
• b: 12.0938 ± 0.0002 Å
• c: 19.1076 ± 0.0005 Å
• α: 90°
• β: 105.406 ± 0.003°
• γ: 90°
• Cell volume: 4220.61 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.137
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No