Information card for entry 7712956

Structure parameters

• Formula: C30 H30 Cu N2 P S
• Calculated formula: C30 H30 Cu N2 P S
• SMILES: [Cu]12(SC(=CC(=[N]1CCc1[n]2cccc1)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: 10.0287 ± 0.0002 Å
• b: 9.26 ± 0.0002 Å
• c: 28.742 ± 0.0006 Å
• α: 90°
• β: 96.315 ± 0.002°
• γ: 90°
• Cell volume: 2652.95 ± 0.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No