Information card for entry 7712962

Structure parameters

• Formula: C11 H14 N2 S
• Calculated formula: C11 H14 N2 S
• SMILES: S=C(/C=C(\NCc1ncccc1)C)C
• 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: 6.841 ± 0.0002 Å
• b: 9.3645 ± 0.0003 Å
• c: 18.5881 ± 0.0004 Å
• α: 93.715 ± 0.002°
• β: 99.741 ± 0.002°
• γ: 107.792 ± 0.003°
• Cell volume: 1108.86 ± 0.06 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No