Information card for entry 7712964

Structure parameters

• Formula: C51 H72 Cu3 N3 S3
• Calculated formula: C51 H72 Cu3 N3 S3
• SMILES: [Cu]12[S]3[Cu]([S]4[Cu]([S]1C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)[N](=C(C)C=C4C)c1c(cccc1C(C)C)C(C)C)[N](=C(C)C=C3C)c1c(cccc1C(C)C)C(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: 15.3411 ± 0.0003 Å
• b: 16.6809 ± 0.0003 Å
• c: 19.9753 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5111.75 ± 0.17 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No