Information card for entry 7712954

Structure parameters

• Formula: C35 H39 Cu N P S
• Calculated formula: C35 H39 Cu N P S
• SMILES: [Cu]1(SC(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes
• Authors of publication: Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.7209 ± 0.0002 Å
• b: 11.5302 ± 0.0002 Å
• c: 15.5452 ± 0.0003 Å
• α: 90°
• β: 97.78 ± 0.002°
• γ: 90°
• Cell volume: 1548.74 ± 0.05 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No