Information card for entry 1575828

Structure parameters

• Formula: Cu4 S2.08 Se1.919 Ti
• Calculated formula: Cu3.998 S2.08 Se1.92 Ti
• Title of publication: Construction of a homologous series of metal nanoclusters and implications for structure-activity correlations.
• Authors of publication: Li, Qinzhen; Jiang, Tingting; Yang, Sha; Chai, Jinsong; Yu, Haizhu; Zhu, Manzhou
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 19669 - 19676
• a: 5.5251 ± 0.0001 Å
• b: 5.5251 ± 0.0001 Å
• c: 5.5251 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 168.663 ± 0.005 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 215
• Hermann-Mauguin space group symbol: P -4 3 m
• Hall space group symbol: P -4 2 3
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for significantly intense reflections: 1.75
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No